try: from SimpleSession.versions.v37 import beginRestore,\ registerAfterModelsCB, reportRestoreError except ImportError: from chimera import UserError raise UserError('Cannot open session that was saved in a' ' newer version of Chimera; update your version') import chimera from chimera import replyobj replyobj.status('Beginning session restore...', \ blankAfter=0) beginRestore() def restoreCoreModels(): from SimpleSession.versions.v37 import init, restoreCamera, \ restoreMolecules, restoreColors, restoreSurfaces, \ restoreVRML, restorePseudoBondGroups molInfo = {'ballScale': (1, 0.25, {}), 'ribbonHidesMainchain': (1, True, {}), 'pointSize': (1, 1, {}), 'name': (1, '1h6m', {}), 'color': (1, 0, {}), 'optional': {'openedAs': (True, (1, ('1h6m', 'PDBID', None, False), {}))}, 'pdbHeaders': [{'KEYWDS': ['KEYWDS LYSOZYME, GLYCOSIDE HYDROLASE, MECHANISM, COVALENT ', 'KEYWDS 2 INTERMEDIATE '], 'SEQRES': ['SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS ', 'SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY ', 'SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLN SER ASN PHE ASN ', 'SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP ', 'SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN ', 'SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE ', 'SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER ', 'SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY ', 'SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY ', 'SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU '], 'DBREF': ['DBREF 1H6M A 1 129 UNP P00698 LYC_CHICK 19 147 '], 'TITLE': ['TITLE COVALENT GLYCOSYL-ENZYME INTERMEDIATE OF HEN EGG WHITE ', 'TITLE 2 LYSOZYME '], 'HETSYN': ['HETSYN NAG NAG '], 'LINK': ['LINK OD2 ASP A 52 C1 G2F A1131 ', 'LINK NA NA A1130 OG SER A 72 ', 'LINK NA NA A1130 O SER A 60 ', 'LINK NA NA A1130 O ARG A 73 ', 'LINK NA NA A1130 O HOH Z 113 ', 'LINK NA NA A1130 O HOH Z 116 ', 'LINK NA NA A1130 O CYS A 64 ', 'LINK O4 G2F A1131 C1 NAG A1132 '], 'HELIX': ['HELIX 1 1 GLY A 4 HIS A 15 1 12 ', 'HELIX 2 2 SER A 24 ASN A 37 1 14 ', 'HELIX 3 3 CYS A 80 SER A 85 5 6 ', 'HELIX 4 4 ILE A 88 SER A 100 1 13 ', 'HELIX 5 5 ASN A 103 ALA A 107 5 5 ', 'HELIX 6 6 TRP A 108 CYS A 115 1 8 ', 'HELIX 7 7 ASP A 119 ARG A 125 5 7 '], 'REMARK': ['REMARK 1 ', 'REMARK 1 REFERENCE 1 ', 'REMARK 1 AUTH N.C.J.STRYDNAKA,M.N.G.JAMES ', 'REMARK 1 TITL LYSOZYME REVISITED: CRYSTALLOGRAPHIC EVIDENCE FOR ', 'REMARK 1 TITL 2 DISTORTION OF AN N-ACETYLMURAMIC RESIDUE BOUND IN ', 'REMARK 1 TITL 3 SUBSITE D ', 'REMARK 1 REF J.MOL.BIOL. V. 220 401 1991 ', 'REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 ', 'REMARK 1 REFERENCE 2 ', 'REMARK 1 AUTH B.A.MALCOLM,S.ROSENBERG,M.J.COREY,J.S.ALLEN, ', 'REMARK 1 AUTH 2 A.DEBAETSELIER,J.F.KIRSCH ', 'REMARK 1 TITL SITE DIRECTED MUTAGENESIS OF THE CATALYTIC ', 'REMARK 1 TITL 2 RESIDUES ASP-52 AND GLU-35 OF CHICKEN EGG WHITE ', 'REMARK 1 TITL 3 LYSOZYME ', 'REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 86 133 1989 ', 'REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 ', 'REMARK 1 REFERENCE 3 ', 'REMARK 1 AUTH C.C.F.BLAKE,D.F.KOENIG,G.A.MAIR,A.C.T.NORTH, ', 'REMARK 1 AUTH 2 D.C.PHILLIPS,V.R.SARMA ', 'REMARK 1 TITL STRUCTURE OF HEN EGG-WHITE LYSOZYME: A THREE ', 'REMARK 1 TITL 2 DIMENSIONAL FOURIER ANALYSIS AT 2.0A RESOLUTION ', 'REMARK 1 REF NATURE V. 206 757 1965 ', 'REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 ', 'REMARK 2 ', 'REMARK 2 RESOLUTION. 1.64 ANGSTROMS. ', 'REMARK 3 ', 'REMARK 3 REFINEMENT. ', 'REMARK 3 PROGRAM : REFMAC 5 ', 'REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON ', 'REMARK 3 ', 'REMARK 3 REFINEMENT TARGET : NULL ', 'REMARK 3 ', 'REMARK 3 DATA USED IN REFINEMENT. ', 'REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.64 ', 'REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 18.00 ', 'REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL ', 'REMARK 3 COMPLETENESS FOR RANGE (%) : 99.3 ', 'REMARK 3 NUMBER OF REFLECTIONS : 13781 ', 'REMARK 3 ', 'REMARK 3 FIT TO DATA USED IN REFINEMENT. ', 'REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT ', 'REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM ', 'REMARK 3 R VALUE (WORKING + TEST SET) : 0.172 ', 'REMARK 3 R VALUE (WORKING SET) : 0.170 ', 'REMARK 3 FREE R VALUE : 0.222 ', 'REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 ', 'REMARK 3 FREE R VALUE TEST SET COUNT : 738 ', 'REMARK 3 ', 'REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. ', 'REMARK 3 TOTAL NUMBER OF BINS USED : 20 ', 'REMARK 3 BIN RESOLUTION RANGE HIGH : NULL ', 'REMARK 3 BIN RESOLUTION RANGE LOW : NULL ', 'REMARK 3 REFLECTION IN BIN (WORKING SET) : NULL ', 'REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL ', 'REMARK 3 BIN R VALUE (WORKING SET) : 0.2340 ', 'REMARK 3 BIN FREE R VALUE SET COUNT : NULL ', 'REMARK 3 BIN FREE R VALUE : 0.2610 ', 'REMARK 3 ', 'REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. ', 'REMARK 3 ALL ATOMS : 1037 ', 'REMARK 3 ', 'REMARK 3 B VALUES. ', 'REMARK 3 FROM WILSON PLOT (A**2) : NULL ', 'REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.38 ', 'REMARK 3 OVERALL ANISOTROPIC B VALUE. ', 'REMARK 3 B11 (A**2) : -0.30000 ', 'REMARK 3 B22 (A**2) : -0.30000 ', 'REMARK 3 B33 (A**2) : 0.60000 ', 'REMARK 3 B12 (A**2) : 0.00000 ', 'REMARK 3 B13 (A**2) : 0.00000 ', 'REMARK 3 B23 (A**2) : 0.00000 ', 'REMARK 3 ', 'REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. ', 'REMARK 3 ESU BASED ON R VALUE (A): NULL ', 'REMARK 3 ESU BASED ON FREE R VALUE (A): 0.111 ', 'REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL ', 'REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL ', 'REMARK 3 ', 'REMARK 3 CORRELATION COEFFICIENTS. ', 'REMARK 3 CORRELATION COEFFICIENT FO-FC : NULL ', 'REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : NULL ', 'REMARK 3 ', 'REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT ', 'REMARK 3 BOND LENGTHS REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): NULL ; NULL ; NULL ', 'REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL ', 'REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): NULL ; NULL ; NULL ', 'REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL ', 'REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL ', 'REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL ', 'REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): NULL ; NULL ; NULL ', 'REMARK 3 GENERAL PLANES REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 ', 'REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT ', 'REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 ', 'REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT ', 'REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 ', 'REMARK 3 NCS RESTRAINTS STATISTICS ', 'REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : 0 ', 'REMARK 3 ', 'REMARK 3 TLS DETAILS ', 'REMARK 3 NUMBER OF TLS GROUPS : 0 ', 'REMARK 3 ', 'REMARK 3 BULK SOLVENT MODELLING. ', 'REMARK 3 METHOD USED : NULL ', 'REMARK 3 PARAMETERS FOR MASK CALCULATION ', 'REMARK 3 VDW PROBE RADIUS : NULL ', 'REMARK 3 ION PROBE RADIUS : NULL ', 'REMARK 3 SHRINKAGE RADIUS : NULL ', 'REMARK 3 ', 'REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE ', 'REMARK 3 RIDING POSITIONS ', 'REMARK 4 ', 'REMARK 4 1H6M COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 ', 'REMARK 4 ', 'REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. ', 'REMARK 4 REMEDIATED DATA FILE REVISION 3.102 (2007-05-31) ', 'REMARK 100 ', 'REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY EBI. ', 'REMARK 100 THE EBI ID CODE IS EBI-8197. ', 'REMARK 200 ', 'REMARK 200 EXPERIMENTAL DETAILS ', 'REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION ', 'REMARK 200 DATE OF DATA COLLECTION : 15-JUN-2000 ', 'REMARK 200 TEMPERATURE (KELVIN) : 100.0 ', 'REMARK 200 PH : 4.80 ', 'REMARK 200 NUMBER OF CRYSTALS USED : 1 ', 'REMARK 200 ', 'REMARK 200 SYNCHROTRON (Y/N) : N ', 'REMARK 200 RADIATION SOURCE : ROTATING ANODE ', 'REMARK 200 BEAMLINE : NULL ', 'REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 ', 'REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M ', 'REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 ', 'REMARK 200 MONOCHROMATOR : NULL ', 'REMARK 200 OPTICS : OSMIC MIRRORS ', 'REMARK 200 ', 'REMARK 200 DETECTOR TYPE : IMAGE PLATE ', 'REMARK 200 DETECTOR MANUFACTURER : RAXIS ', 'REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO ', 'REMARK 200 DATA SCALING SOFTWARE : SCALEPACK ', 'REMARK 200 ', 'REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 14536 ', 'REMARK 200 RESOLUTION RANGE HIGH (A) : 1.640 ', 'REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 ', 'REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL ', 'REMARK 200 ', 'REMARK 200 OVERALL. ', 'REMARK 200 COMPLETENESS FOR RANGE (%) : 99.3 ', 'REMARK 200 DATA REDUNDANCY : 5.200 ', 'REMARK 200 R MERGE (I) : 0.05000 ', 'REMARK 200 R SYM (I) : NULL ', 'REMARK 200 FOR THE DATA SET : 25.0000 ', 'REMARK 200 ', 'REMARK 200 IN THE HIGHEST RESOLUTION SHELL. ', 'REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.64 ', 'REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.70 ', 'REMARK 200 COMPLETENESS FOR SHELL (%) : 96.3 ', 'REMARK 200 DATA REDUNDANCY IN SHELL : 2.50 ', 'REMARK 200 R MERGE FOR SHELL (I) : 0.19000 ', 'REMARK 200 R SYM FOR SHELL (I) : NULL ', 'REMARK 200 FOR SHELL : 4.600 ', 'REMARK 200 ', 'REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH ', 'REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHER ', 'REMARK 200 SOFTWARE USED: CCP4 ', 'REMARK 200 STARTING MODEL: REFINED COORDINATES FOR APO STRUCTURE E35Q ', 'REMARK 200 MUTANT ', 'REMARK 200 ', 'REMARK 200 REMARK: NULL ', 'REMARK 280 ', 'REMARK 280 CRYSTAL ', 'REMARK 280 SOLVENT CONTENT, VS (%): 39.80 ', 'REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.90 ', 'REMARK 280 ', 'REMARK 280 CRYSTALLIZATION CONDITIONS: PH 4.8 ', 'REMARK 290 ', 'REMARK 290 CRYSTALLOGRAPHIC SYMMETRY ', 'REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 ', 'REMARK 290 ', 'REMARK 290 SYMOP SYMMETRY ', 'REMARK 290 NNNMMM OPERATOR ', 'REMARK 290 1555 X,Y,Z ', 'REMARK 290 2555 -X,-Y,1/2+Z ', 'REMARK 290 3555 1/2-Y,1/2+X,3/4+Z ', 'REMARK 290 4555 1/2+Y,1/2-X,1/4+Z ', 'REMARK 290 5555 1/2-X,1/2+Y,3/4-Z ', 'REMARK 290 6555 1/2+X,1/2-Y,1/4-Z ', 'REMARK 290 7555 Y,X,-Z ', 'REMARK 290 8555 -Y,-X,1/2-Z ', 'REMARK 290 ', 'REMARK 290 WHERE NNN -> OPERATOR NUMBER ', 'REMARK 290 MMM -> TRANSLATION VECTOR ', 'REMARK 290 ', 'REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS ', 'REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM ', 'REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY ', 'REMARK 290 RELATED MOLECULES. ', 'REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 ', 'REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.35000 ', 'REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.31600 ', 'REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.31600 ', 'REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 27.52500 ', 'REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.31600 ', 'REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.31600 ', 'REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.17500 ', 'REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.31600 ', 'REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.31600 ', 'REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 27.52500 ', 'REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.31600 ', 'REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.31600 ', 'REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.17500 ', 'REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 ', 'REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 18.35000 ', 'REMARK 290 ', 'REMARK 290 REMARK: NULL ', 'REMARK 300 ', 'REMARK 300 BIOMOLECULE: 1 ', 'REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT ', 'REMARK 300 WHICH CONSISTS OF 1 CHAIN(S). SEE REMARK 350 FOR ', 'REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). ', 'REMARK 350 ', 'REMARK 350 GENERATING THE BIOMOLECULE ', 'REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN ', 'REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE ', 'REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS ', 'REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND ', 'REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. ', 'REMARK 350 ', 'REMARK 350 BIOMOLECULE: 1 ', 'REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, Z ', 'REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 ', 'REMARK 500 ', 'REMARK 500 GEOMETRY AND STEREOCHEMISTRY ', 'REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT ', 'REMARK 500 ', 'REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. ', 'REMARK 500 ', 'REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI ', 'REMARK 500 ND2 ASN A 46 F2 G2F A 1131 1.87 ', 'REMARK 500 O HOH Z 2 O HOH Z 3 2.11 ', 'REMARK 500 OE1 GLN A 35 O HOH Z 77 2.12 ', 'REMARK 500 O HOH Z 142 O HOH Z 145 2.13 ', 'REMARK 500 O HOH Z 61 O HOH Z 155 2.15 ', 'REMARK 500 O HOH Z 36 O HOH Z 39 2.17 ', 'REMARK 500 O HOH Z 93 O HOH Z 194 2.17 ', 'REMARK 500 ', 'REMARK 500 GEOMETRY AND STEREOCHEMISTRY ', 'REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS ', 'REMARK 500 ', 'REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES ', 'REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE ', 'REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN ', 'REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). ', 'REMARK 500 ', 'REMARK 500 STANDARD TABLE: ', 'REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) ', 'REMARK 500 ', 'REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 ', 'REMARK 500 ', 'REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION ', 'REMARK 500 ASP A 52 CG ASP A 52 OD2 0.116 ', 'REMARK 500 ', 'REMARK 500 GEOMETRY AND STEREOCHEMISTRY ', 'REMARK 500 SUBTOPIC: COVALENT BOND ANGLES ', 'REMARK 500 ', 'REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES ', 'REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE ', 'REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN ', 'REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). ', 'REMARK 500 ', 'REMARK 500 STANDARD TABLE: ', 'REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) ', 'REMARK 500 ', 'REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 ', 'REMARK 500 ', 'REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 ', 'REMARK 500 LEU A 129 CB - CG - CD1 ANGL. DEV. =-13.2 DEGREES ', 'REMARK 500 LEU A 129 CB - CG - CD2 ANGL. DEV. = 13.7 DEGREES ', 'REMARK 525 ', 'REMARK 525 SOLVENT ', 'REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED ', 'REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE ', 'REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL ', 'REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE ', 'REMARK 525 NUMBER; I=INSERTION CODE): ', 'REMARK 525 ', 'REMARK 525 M RES CSSEQI ', 'REMARK 525 HOH Z 24 DISTANCE = 5.31 ANGSTROMS ', 'REMARK 525 HOH Z 58 DISTANCE = 5.07 ANGSTROMS ', 'REMARK 525 HOH Z 64 DISTANCE = 5.39 ANGSTROMS ', 'REMARK 800 ', 'REMARK 800 SITE ', 'REMARK 800 SITE_IDENTIFIER: NUC ', 'REMARK 800 SITE_DESCRIPTION: THE COVALENT INTERMEDIATE IS LINKED TO THE ', 'REMARK 800 ENZYNMATIC NUCLEOPHILE ASP 52 ', 'REMARK 800 SITE_IDENTIFIER: NAG ', 'REMARK 800 SITE_DESCRIPTION: NAG BINDING SITE FOR CHAIN A ', 'REMARK 800 SITE_IDENTIFIER: NA ', 'REMARK 800 SITE_DESCRIPTION: NA BINDING SITE FOR CHAIN A '], 'SCALE1': ['SCALE1 0.012717 0.000000 0.000000 0.00000 '], 'SCALE2': ['SCALE2 0.000000 0.012717 0.000000 0.00000 '], 'AUTHOR': ['AUTHOR D.J.VOCADLO,G.J.DAVIES,R.LAINE,S.G.WITHERS '], 'CRYST1': ['CRYST1 78.632 78.632 36.700 90.00 90.00 90.00 P 43 21 2 8 '], 'ORIGX1': ['ORIGX1 1.000000 0.000000 0.000000 0.00000 '], 'ORIGX3': ['ORIGX3 0.000000 0.000000 1.000000 0.00000 '], 'ORIGX2': ['ORIGX2 0.000000 1.000000 0.000000 0.00000 '], 'SOURCE': ['SOURCE MOL_ID: 1; ', 'SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; ', 'SOURCE 3 ORGANISM_COMMON: CHICKEN; ', 'SOURCE 4 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE; ', 'SOURCE 5 EXPRESSION_SYSTEM_STRAIN: GRF180; ', 'SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PCL1; ', 'SOURCE 7 OTHER_DETAILS: HEN EGG WHITE '], 'FORMUL': ['FORMUL 2 G2F C6 H11 F O5 ', 'FORMUL 2 NAG C8 H15 N O6 ', 'FORMUL 3 NA NA 1+ ', 'FORMUL 4 HOH *205(H2 O) '], 'HETNAM': ['HETNAM G2F 2-DEOXY-2FLUORO-GLUCOSE ', 'HETNAM NAG N-ACETYL-D-GLUCOSAMINE ', 'HETNAM NA SODIUM ION '], 'COMPND': ['COMPND MOL_ID: 1; ', 'COMPND 2 MOLECULE: LYSOZYME C; ', 'COMPND 3 CHAIN: A; ', 'COMPND 4 SYNONYM: 1,4-BETA-N-ACETYLMURAMIDASE C, ALLERGEN GAL D 4, ', 'COMPND 5 GAL D IV; ', 'COMPND 6 EC: 3.2.1.17; ', 'COMPND 7 ENGINEERED: YES; ', 'COMPND 8 MUTATION: YES; ', 'COMPND 9 OTHER_DETAILS: COVALENT 2-FLUOROCHITOBIOSYL ENZYME ', 'COMPND 10 INTERMEDIATE '], 'REVDAT': ['REVDAT 1 30-AUG-01 1H6M 0 '], 'SSBOND': ['SSBOND 1 CYS A 6 CYS A 127 ', 'SSBOND 2 CYS A 30 CYS A 115 ', 'SSBOND 3 CYS A 64 CYS A 80 ', 'SSBOND 4 CYS A 76 CYS A 94 '], 'HET': ['HET G2F A1131 11 ', 'HET NAG A1132 14 ', 'HET NA A1130 1 '], 'SHEET': ['SHEET 1 AA 3 THR A 43 ARG A 45 0 ', 'SHEET 2 AA 3 THR A 51 TYR A 53 -1 O ASP A 52 N ASN A 44 ', 'SHEET 3 AA 3 ILE A 58 ASN A 59 -1 O ILE A 58 N TYR A 53 '], 'SITE': ['SITE 1 NUC 11 GLN A 35 ASN A 46 ASP A 52 GLN A 57 ', 'SITE 2 NUC 11 ASN A 59 ALA A 107 TRP A 108 HOH Z 2 ', 'SITE 3 NUC 11 HOH Z 77 HOH Z 100 HOH Z 203 ', 'SITE 1 NAG 7 ILE A 58 ASN A 59 TRP A 63 ALA A 107 ', 'SITE 2 NAG 7 TRP A 108 HOH Z 107 HOH Z 205 ', 'SITE 1 NA 6 SER A 60 CYS A 64 SER A 72 ARG A 73 ', 'SITE 2 NA 6 HOH Z 113 HOH Z 116 '], 'HEADER': ['HEADER HYDROLASE (O-GLYCOSYL) 19-JUN-01 1H6M '], 'EXPDTA': ['EXPDTA X-RAY DIFFRACTION '], 'SCALE3': ['SCALE3 0.000000 0.000000 0.027248 0.00000 '], 'JRNL': ['JRNL AUTH D.J.VOCADLO,G.J.DAVIES,R.LAINE,S.G.WITHERS ', 'JRNL TITL CATALYSIS BY HEN EGG-WHITE LYSOZYME PROCEEDS VIA A ', 'JRNL TITL 2 COVALENT INTERMEDIATE ', 'JRNL REF NATURE V. 412 835 2001 ', 'JRNL REFN ASTM NATUAS UK ISSN 0028-0836 '], 'SEQADV': ['SEQADV 1H6M GLN A 35 UNP P00698 GLU 53 ENGINEERED MUTATION ']}], 'ids': (1, (0, 0), {}), 'surfaceOpacity': (1, -1, {}), 'autochain': (1, True, {}), 'vdwDensity': (1, 5, {}), 'hidden': (1, False, {}), 'lineWidth': (1, 2, {}), 'stickScale': (1, 1, {}), 'display': (1, True, {})} resInfo = {'insert': (337, ' ', {}), 'name': (337, 'HOH', {'ILE': [54, 57, 77, 87, 97, 123], 'NAG': [130], 'GLN': [34, 40, 56, 120], 'GLY': [3, 15, 21, 25, 48, 53, 66, 70, 101, 103, 116, 125], 'GLU': [6], 'CYS': [5, 29, 63, 75, 79, 93, 114, 126], 'HIS': [14], 'SER': [23, 35, 49, 59, 71, 80, 84, 85, 90, 99], 'LYS': [0, 12, 32, 95, 96, 115], 'NA': [131], 'PRO': [69, 78], 'ASN': [18, 26, 36, 38, 43, 45, 58, 64, 73, 76, 92, 102, 105, 112], 'VAL': [1, 28, 91, 98, 108, 119], 'THR': [39, 42, 46, 50, 68, 88, 117], 'ASP': [17, 47, 51, 65, 86, 100, 118], 'TRP': [27, 61, 62, 107, 110, 122], 'PHE': [2, 33, 37], 'ALA': [8, 9, 10, 30, 31, 41, 81, 89, 94, 106, 109, 121], 'G2F': [129], 'MET': [11, 104], 'LEU': [7, 16, 24, 55, 74, 82, 83, 128], 'ARG': [4, 13, 20, 44, 60, 67, 72, 111, 113, 124, 127], 'TYR': [19, 22, 52]}), 'chain': (337, 'Z', {'A': (None, [(0, 132)])}), 'ss': (337, (False, False, False), {(True, False, False): (None, [(3, 12), (23, 14), (79, 6), (87, 13), (102, 13), (118, 7)]), (False, True, False): (None, [(42, 3), (50, 3), (57, 2)])}), 'molecule': (337, 0, {}), 'ribbonColor': (337, None, {1: (None, [(0, 1)]), 2: (None, [(1, 1)]), 3: (None, [(2, 1)]), 4: (None, [(3, 1)]), 5: (None, [(4, 1)]), 6: (None, [(5, 1)]), 7: (None, [(6, 1)]), 8: (None, [(7, 1)]), 9: (None, [(8, 1)]), 10: (None, [(9, 1)]), 11: (None, [(10, 1)]), 12: (None, [(11, 1)]), 13: (None, [(12, 1)]), 14: (None, [(13, 1)]), 15: (None, [(14, 1)]), 16: (None, [(15, 1)]), 17: (None, [(16, 1)]), 18: (None, [(17, 1)]), 19: (None, [(18, 1)]), 20: (None, [(19, 1)]), 21: (None, [(20, 1)]), 22: (None, [(21, 1)]), 23: (None, [(22, 1)]), 24: (None, [(23, 1)]), 25: (None, [(24, 1)]), 26: (None, [(25, 1)]), 27: (None, [(26, 1)]), 28: (None, [(27, 1)]), 29: (None, [(28, 1)]), 30: (None, [(29, 1)]), 31: (None, [(30, 1)]), 32: (None, [(31, 1)]), 33: (None, [(32, 1)]), 34: (None, [(33, 1)]), 35: (None, [(34, 1)]), 36: (None, [(35, 1)]), 37: (None, [(36, 1)]), 38: (None, [(37, 1)]), 39: (None, [(38, 1)]), 40: (None, [(39, 1)]), 41: (None, [(40, 1)]), 42: (None, [(41, 1)]), 43: (None, [(42, 1)]), 44: (None, [(43, 1)]), 45: (None, [(44, 1)]), 46: (None, [(45, 1)]), 47: (None, [(46, 1)]), 48: (None, [(47, 1)]), 49: (None, [(48, 1)]), 50: (None, [(49, 1)]), 51: (None, [(50, 1)]), 52: (None, [(51, 1)]), 53: (None, [(52, 1)]), 54: (None, [(53, 1)]), 55: (None, [(54, 1)]), 56: (None, [(55, 1)]), 57: (None, [(56, 1)]), 58: (None, [(57, 1)]), 59: (None, [(58, 1)]), 60: (None, [(59, 1)]), 61: (None, [(60, 1)]), 62: (None, [(61, 1)]), 63: (None, [(62, 1)]), 64: (None, [(63, 1)]), 65: (None, [(64, 1)]), 66: (None, [(65, 1)]), 67: (None, [(66, 1)]), 68: (None, [(67, 1)]), 69: (None, [(68, 1)]), 70: (None, [(69, 1)]), 71: (None, [(70, 1)]), 72: (None, [(71, 1)]), 73: (None, [(72, 1)]), 74: (None, [(73, 1)]), 75: (None, [(74, 1)]), 76: (None, [(75, 1)]), 77: (None, [(76, 1)]), 78: (None, [(77, 1)]), 79: (None, [(78, 1)]), 80: (None, [(79, 1)]), 81: (None, [(80, 1)]), 82: (None, [(81, 1)]), 83: (None, [(82, 1)]), 84: (None, [(83, 1)]), 85: (None, [(84, 1)]), 86: (None, [(85, 1)]), 87: (None, [(86, 1)]), 88: (None, [(87, 1)]), 89: (None, [(88, 1)]), 90: (None, [(89, 1)]), 91: (None, [(90, 1)]), 92: (None, [(91, 1)]), 93: (None, [(92, 1)]), 94: (None, [(93, 1)]), 95: (None, [(94, 1)]), 96: (None, [(95, 1)]), 97: (None, [(96, 1)]), 98: (None, [(97, 1)]), 99: (None, [(98, 1)]), 100: (None, [(99, 1)]), 101: (None, [(100, 1)]), 102: (None, [(101, 1)]), 103: (None, [(102, 1)]), 104: (None, [(103, 1)]), 105: (None, [(104, 1)]), 106: (None, [(105, 1)]), 107: (None, [(106, 1)]), 108: (None, [(107, 1)]), 109: (None, [(108, 1)]), 110: (None, [(109, 1)]), 111: (None, [(110, 1)]), 112: (None, [(111, 1)]), 113: (None, [(112, 1)]), 114: (None, [(113, 1)]), 115: (None, [(114, 1)]), 116: (None, [(115, 1)]), 117: (None, [(116, 1)]), 118: (None, [(117, 1)]), 119: (None, [(118, 1)]), 120: (None, [(119, 1)]), 121: (None, [(120, 1)]), 122: (None, [(121, 1)]), 123: (None, [(122, 1)]), 124: (None, [(123, 1)]), 125: (None, [(124, 1)]), 126: (None, [(125, 1)]), 127: (None, [(126, 1)]), 128: (None, [(127, 1)]), 129: (None, [(128, 1)])}), 'label': (337, '', {}), 'labelColor': (337, None, {}), 'isHet': (337, True, {False: (None, [(0, 129)])}), 'position': [(1, 129), (1131, 2), (1130, 1), (1, 205)], 'ribbonDisplay': (337, False, {True: (None, [(0, 129)])}), 'optional': {}, 'ribbonDrawMode': (337, 2, {})} atomInfo = {'residue': (1242, 35, {1: (None, [(0, 8), (1035, 1)]), 2: (None, [(8, 6), (1034, 1)]), 3: (None, [(14, 10), (1033, 1)]), 4: (None, [(24, 3), (1032, 1)]), 5: (None, [(27, 10), (1031, 1)]), 6: (None, [(37, 4), (1029, 2)]), 7: (None, [(1020, 9)]), 8: (None, [(1012, 8)]), 9: (None, [(1007, 5)]), 10: (None, [(1002, 5)]), 11: (None, [(997, 5)]), 12: (None, [(989, 8)]), 13: (None, [(980, 9)]), 14: (None, [(969, 11)]), 15: (None, [(959, 10)]), 16: (None, [(955, 4)]), 17: (None, [(947, 8)]), 18: (None, [(939, 8)]), 19: (None, [(931, 8)]), 20: (None, [(919, 12)]), 21: (None, [(908, 11)]), 22: (None, [(904, 4)]), 23: (None, [(892, 12)]), 24: (None, [(886, 6)]), 25: (None, [(878, 8)]), 26: (None, [(874, 4)]), 27: (None, [(866, 8)]), 28: (None, [(852, 14)]), 29: (None, [(845, 7)]), 30: (None, [(158, 4), (843, 2)]), 31: (None, [(162, 4), (842, 1)]), 32: (None, [(166, 4), (841, 1)]), 33: (None, [(170, 8), (840, 1)]), 34: (None, [(178, 10), (839, 1)]), 36: (None, [(196, 5), (830, 1)]), 37: (None, [(201, 7), (829, 1)]), 38: (None, [(208, 10), (828, 1)]), 39: (None, [(218, 7), (827, 1)]), 40: (None, [(225, 6), (826, 1)]), 41: (None, [(231, 8), (825, 1)]), 42: (None, [(239, 4), (824, 1)]), 43: (None, [(243, 6), (823, 1)]), 44: (None, [(249, 7), (822, 1)]), 45: (None, [(256, 10), (821, 1)]), 46: (None, [(266, 10), (820, 1)]), 47: (None, [(276, 6), (819, 1)]), 48: (None, [(282, 7), (818, 1)]), 49: (None, [(289, 3), (817, 1)]), 50: (None, [(292, 5), (816, 1)]), 51: (None, [(297, 6), (815, 1)]), 52: (None, [(303, 5), (333, 2), (814, 1)]), 53: (None, [(335, 11), (813, 1)]), 54: (None, [(346, 3), (812, 1)]), 55: (None, [(349, 7), (811, 1)]), 56: (None, [(356, 7), (810, 1)]), 57: (None, [(363, 8), (809, 1)]), 58: (None, [(371, 7), (808, 1)]), 59: (None, [(378, 7), (807, 1)]), 60: (None, [(385, 5), (806, 1)]), 61: (None, [(390, 10), (805, 1)]), 62: (None, [(400, 13), (804, 1)]), 63: (None, [(413, 13), (803, 1)]), 64: (None, [(426, 4), (625, 2)]), 65: (None, [(617, 8)]), 66: (None, [(609, 8)]), 67: (None, [(605, 4)]), 68: (None, [(594, 11)]), 69: (None, [(587, 7)]), 70: (None, [(580, 7)]), 71: (None, [(576, 4)]), 72: (None, [(570, 6)]), 73: (None, [(559, 11)]), 74: (None, [(551, 8)]), 75: (None, [(543, 8)]), 76: (None, [(513, 4), (541, 2)]), 77: (None, [(517, 7), (540, 1)]), 78: (None, [(524, 7), (539, 1)]), 79: (None, [(531, 6), (538, 1)]), 80: (None, [(430, 4), (537, 1), (802, 1)]), 81: (None, [(434, 5), (801, 1)]), 82: (None, [(439, 4), (800, 1)]), 83: (None, [(443, 7), (799, 1)]), 84: (None, [(450, 7), (798, 1)]), 85: (None, [(457, 5), (797, 1)]), 86: (None, [(462, 5), (796, 1)]), 87: (None, [(467, 7), (795, 1)]), 88: (None, [(474, 7), (794, 1)]), 89: (None, [(481, 6), (793, 1)]), 90: (None, [(487, 4), (792, 1)]), 91: (None, [(491, 5), (791, 1)]), 92: (None, [(496, 6), (790, 1)]), 93: (None, [(502, 7), (789, 1)]), 94: (None, [(509, 4), (627, 1), (788, 1)]), 95: (None, [(628, 4), (787, 1)]), 96: (None, [(632, 8), (786, 1)]), 97: (None, [(640, 8), (785, 1)]), 98: (None, [(648, 7), (784, 1)]), 99: (None, [(655, 6), (783, 1)]), 100: (None, [(661, 5), (782, 1)]), 101: (None, [(666, 7), (781, 1)]), 102: (None, [(673, 3), (780, 1)]), 103: (None, [(676, 7), (779, 1)]), 104: (None, [(683, 3), (778, 1)]), 105: (None, [(686, 7), (777, 1)]), 106: (None, [(693, 7), (776, 1)]), 107: (None, [(700, 4), (775, 1)]), 108: (None, [(704, 13), (774, 1)]), 109: (None, [(717, 6), (773, 1)]), 110: (None, [(723, 4), (772, 1)]), 111: (None, [(727, 13), (771, 1)]), 112: (None, [(740, 10), (770, 1)]), 113: (None, [(750, 7), (769, 1)]), 114: (None, [(757, 10), (768, 1)]), 115: (None, [(153, 5), (767, 1)]), 116: (None, [(144, 9)]), 117: (None, [(140, 4)]), 118: (None, [(133, 7)]), 119: (None, [(125, 8)]), 120: (None, [(118, 7)]), 121: (None, [(109, 9)]), 122: (None, [(104, 5)]), 123: (None, [(90, 14)]), 124: (None, [(82, 8)]), 125: (None, [(71, 11)]), 126: (None, [(67, 4)]), 127: (None, [(41, 4), (65, 2)]), 128: (None, [(45, 10), (64, 1)]), 129: (None, [(55, 9)]), 130: (None, [(308, 7), (329, 4)]), 131: (None, [(315, 14)]), 132: (None, [(1036, 1)]), 133: (None, [(1039, 1)]), 134: (None, [(1040, 1)]), 135: (None, [(1041, 1)]), 136: (None, [(1042, 1)]), 137: (None, [(1043, 1)]), 138: (None, [(1044, 1)]), 139: (None, [(1045, 1)]), 140: (None, [(1046, 1)]), 141: (None, [(1047, 1)]), 142: (None, [(1048, 1)]), 143: (None, [(1049, 1)]), 144: (None, [(1050, 1)]), 145: (None, [(1051, 1)]), 146: (None, [(1052, 1)]), 147: (None, [(1053, 1)]), 148: (None, [(1054, 1)]), 149: (None, [(1055, 1)]), 150: (None, [(1056, 1)]), 151: (None, [(1057, 1)]), 152: (None, [(1058, 1)]), 153: (None, [(1059, 1)]), 154: (None, [(1060, 1)]), 155: (None, [(1061, 1)]), 156: (None, [(1062, 1)]), 157: (None, [(1063, 1)]), 158: (None, [(1064, 1)]), 159: (None, [(1065, 1)]), 160: (None, [(1066, 1)]), 161: (None, [(1067, 1)]), 162: (None, [(1068, 1)]), 163: (None, [(1069, 1)]), 164: (None, [(1070, 1)]), 165: (None, [(1071, 1)]), 166: (None, [(1072, 1)]), 167: (None, [(1073, 1)]), 168: (None, [(1074, 1)]), 169: (None, [(1075, 1)]), 170: (None, [(1076, 1)]), 171: (None, [(1077, 1)]), 172: (None, [(1078, 1)]), 173: (None, [(1079, 1)]), 174: (None, [(1080, 1)]), 175: (None, [(1081, 1)]), 176: (None, [(1082, 1)]), 177: (None, [(1083, 1)]), 178: (None, [(1084, 1)]), 179: (None, [(1085, 1)]), 180: (None, [(1086, 1)]), 181: (None, [(1087, 1)]), 182: (None, [(1088, 1)]), 183: (None, [(1089, 1)]), 184: (None, [(1090, 1)]), 185: (None, [(1091, 1)]), 186: (None, [(1092, 1)]), 187: (None, [(1093, 1)]), 188: (None, [(1094, 1)]), 189: (None, [(1095, 1)]), 190: (None, [(1096, 1)]), 191: (None, [(1097, 1)]), 192: (None, [(1098, 1)]), 193: (None, [(1099, 1)]), 194: (None, [(1100, 1)]), 195: (None, [(1101, 1)]), 196: (None, [(1102, 1)]), 197: (None, [(1103, 1)]), 198: (None, [(1104, 1)]), 199: (None, [(1105, 1)]), 200: (None, [(1106, 1)]), 201: (None, [(1107, 1)]), 202: (None, [(1108, 1)]), 203: (None, [(1109, 1)]), 204: (None, [(1110, 1)]), 205: (None, [(1111, 1)]), 206: (None, [(1112, 1)]), 207: (None, [(1113, 1)]), 208: (None, [(1114, 1)]), 209: (None, [(1115, 1)]), 210: (None, [(1116, 1)]), 211: (None, [(1117, 1)]), 212: (None, [(1118, 1)]), 213: (None, [(1119, 1)]), 214: (None, [(1120, 1)]), 215: (None, [(1121, 1)]), 216: (None, [(1122, 1)]), 217: (None, [(1123, 1)]), 218: (None, [(1124, 1)]), 219: (None, [(1125, 1)]), 220: (None, [(1126, 1)]), 221: (None, [(1127, 1)]), 222: (None, [(1128, 1)]), 223: (None, [(1129, 1)]), 224: (None, [(1130, 1)]), 225: (None, [(1131, 1)]), 226: (None, [(1132, 1)]), 227: (None, [(1133, 1)]), 228: (None, [(1134, 1)]), 229: (None, [(1135, 1)]), 230: (None, [(1136, 1)]), 231: (None, [(1137, 1)]), 232: (None, [(1138, 1)]), 233: (None, [(1139, 1)]), 234: (None, [(1140, 1)]), 235: (None, [(1141, 1)]), 236: (None, [(1142, 1)]), 237: (None, [(1143, 1)]), 238: (None, [(1144, 1)]), 239: (None, [(1145, 1)]), 240: (None, [(1146, 1)]), 241: (None, [(1147, 1)]), 242: (None, [(1148, 1)]), 243: (None, [(1149, 1)]), 244: (None, [(1150, 1)]), 245: (None, [(1038, 1)]), 246: (None, [(1151, 1)]), 247: (None, [(1152, 1)]), 248: (None, [(1037, 1)]), 249: (None, [(1153, 1)]), 250: (None, [(1154, 1)]), 251: (None, [(1155, 1)]), 252: (None, [(1156, 1)]), 253: (None, [(1157, 1)]), 254: (None, [(1158, 1)]), 255: (None, [(1159, 1)]), 256: (None, [(1160, 1)]), 257: (None, [(1161, 1)]), 258: (None, [(1162, 1)]), 259: (None, [(1163, 1)]), 260: (None, [(1164, 1)]), 261: (None, [(1165, 1)]), 262: (None, [(1166, 1)]), 263: (None, [(1167, 1)]), 264: (None, [(1168, 1)]), 265: (None, [(1169, 1)]), 266: (None, [(1170, 1)]), 267: (None, [(1171, 1)]), 268: (None, [(1172, 1)]), 269: (None, [(1173, 1)]), 270: (None, [(1174, 1)]), 271: (None, [(1175, 1)]), 272: (None, [(1176, 1)]), 273: (None, [(1177, 1)]), 274: (None, [(1178, 1)]), 275: (None, [(1179, 1)]), 276: (None, [(1180, 1)]), 277: (None, [(1181, 1)]), 278: (None, [(1182, 1)]), 279: (None, [(1183, 1)]), 280: (None, [(1184, 1)]), 281: (None, [(1185, 1)]), 282: (None, [(1186, 1)]), 283: (None, [(1187, 1)]), 284: (None, [(1188, 1)]), 285: (None, [(1189, 1)]), 286: (None, [(1190, 1)]), 287: (None, [(1191, 1)]), 288: (None, [(1192, 1)]), 289: (None, [(1193, 1)]), 290: (None, [(1194, 1)]), 291: (None, [(1195, 1)]), 292: (None, [(1196, 1)]), 293: (None, [(1197, 1)]), 294: (None, [(1198, 1)]), 295: (None, [(1199, 1)]), 296: (None, [(1200, 1)]), 297: (None, [(1201, 1)]), 298: (None, [(1202, 1)]), 299: (None, [(1203, 1)]), 300: (None, [(1204, 1)]), 301: (None, [(1205, 1)]), 302: (None, [(1206, 1)]), 303: (None, [(1207, 1)]), 304: (None, [(1208, 1)]), 305: (None, [(1209, 1)]), 306: (None, [(1210, 1)]), 307: (None, [(1211, 1)]), 308: (None, [(1212, 1)]), 309: (None, [(1213, 1)]), 310: (None, [(1214, 1)]), 311: (None, [(1215, 1)]), 312: (None, [(1216, 1)]), 313: (None, [(1217, 1)]), 314: (None, 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0.560784, 0.560784), 1, 'default'), 'Ni': ((0.313725, 0.815686, 0.313725), 1, 'default'), 'firebrick': ((0.698039, 0.133333, 0.133333), 1, 'default'), 'Re': ((0.14902, 0.490196, 0.670588), 1, 'default'), 'Rf': ((0.8, 0, 0.34902), 1, 'default'), 'Ra': ((0, 0.490196, 0), 1, 'default'), 'Rb': ((0.439216, 0.180392, 0.690196), 1, 'default'), 'Rn': ((0.258824, 0.509804, 0.588235), 1, 'default'), 'Rh': ((0.0392157, 0.490196, 0.54902), 1, 'default'), 'Be': ((0.760784, 1, 0), 1, 'default'), 'Ba': ((0, 0.788235, 0), 1, 'default'), 'Bh': ((0.878431, 0, 0.219608), 1, 'default'), 'Bi': ((0.619608, 0.309804, 0.709804), 1, 'default'), 'Bk': ((0.541176, 0.309804, 0.890196), 1, 'default'), 'Br': ((0.65098, 0.160784, 0.160784), 1, 'default'), '_openColor00': ((1, 1, 1), 1, 'default'), '_openColor01': ((1, 0, 1), 1, 'default'), '_openColor02': ((0, 1, 1), 1, 'default'), '_openColor03': ((1, 1, 0), 1, 'default'), '_openColor04': ((1, 0, 0), 1, 'default'), '_openColor05': ((0, 0, 1), 1, 'default'), '_openColor06': ((0.67, 1, 0), 1, 'default'), '_openColor07': ((0.67, 0, 1), 1, 'default'), '_openColor08': ((0.67, 1, 1), 1, 'default'), 'H': ((1, 1, 1), 1, 'default'), 'Dy': ((0.121569, 1, 0.780392), 1, 'default'), 'P': ((1, 0.501961, 0), 1, 'default'), 'Os': ((0.14902, 0.4, 0.588235), 1, 'default'), 'Ge': ((0.4, 0.560784, 0.560784), 1, 'default'), 'Gd': ((0.270588, 1, 0.780392), 1, 'default'), 'Ga': ((0.760784, 0.560784, 0.560784), 1, 'default'), 'Pr': ((0.85098, 1, 0.780392), 1, 'default'), '_openColor12': ((1, 1, 0.5), 1, 'default'), '_openColor11': ((1, 0.67, 1), 1, 'default'), '_openColor10': ((0, 0.67, 1), 1, 'default'), 'Pt': ((0.815686, 0.815686, 0.878431), 1, 'default'), 'Pu': ((0, 0.419608, 1), 1, 'default'), 'C': ((0.564706, 0.564706, 0.564706), 1, 'default'), 'Pb': ((0.341176, 0.34902, 0.380392), 1, 'default'), 'Pa': ((0, 0.631373, 1), 1, 'default'), 'Pd': ((0, 0.411765, 0.521569), 1, 'default'), 'Xe': ((0.258824, 0.619608, 0.690196), 1, 'default'), 'Po': ((0.670588, 0.360784, 0), 1, 'default'), 'Pm': ((0.639216, 1, 0.780392), 1, 'default'), 'Hs': ((0.901961, 0, 0.180392), 1, 'default'), 'Ho': ((0, 1, 0.611765), 1, 'default'), 'Hf': ((0.301961, 0.760784, 1), 1, 'default'), 'Hg': ((0.721569, 0.721569, 0.815686), 1, 'default'), 'He': ((0.85098, 1, 1), 1, 'default'), 'Md': ((0.701961, 0.0509804, 0.65098), 1, 'default'), 'Mg': ((0.541176, 1, 0), 1, 'default'), 'K': ((0.560784, 0.25098, 0.831373), 1, 'default'), 'Mn': ((0.611765, 0.478431, 0.780392), 1, 'default'), 'O': ((1, 0.0509804, 0.0509804), 1, 'default'), 'Mt': ((0.921569, 0, 0.14902), 1, 'default'), 'S': ((1, 1, 0.188235), 1, 'default'), 'W': ((0.129412, 0.580392, 0.839216), 1, 'default'), 'Zn': ((0.490196, 0.501961, 0.690196), 1, 'default'), 'Eu': ((0.380392, 1, 0.780392), 1, 'default'), 'Zr': ((0.580392, 0.878431, 0.878431), 1, 'default'), 'Er': ((0, 0.901961, 0.458824), 1, 'default'), '_openColor13': ((1, 0, 0.5), 1, 'default'), 'No': ((0.741176, 0.0509804, 0.529412), 1, 'default'), 'Na': ((0.670588, 0.360784, 0.94902), 1, 'default'), 'Nb': ((0.45098, 0.760784, 0.788235), 1, 'default'), 'Nd': ((0.780392, 1, 0.780392), 1, 'default'), 'Ne': ((0.701961, 0.890196, 0.960784), 1, 'default'), 'Np': ((0, 0.501961, 1), 1, 'default'), 'Fr': ((0.258824, 0, 0.4), 1, 'default'), '_openColor15': ((0.67, 0.67, 1), 1, 'default'), '_openColor14': ((0, 1, 0.5), 1, 'default'), 'Fe': ((0.878431, 0.4, 0.2), 1, 'default'), 'Fm': ((0.701961, 0.121569, 0.729412), 1, 'default'), 'B': ((1, 0.709804, 0.709804), 1, 'default'), 'F': ((0.564706, 0.878431, 0.313725), 1, 'default'), 'Sr': ((0, 1, 0), 1, 'default'), 'N': ((0.188235, 0.313725, 0.972549), 1, 'default'), 'Kr': ((0.360784, 0.721569, 0.819608), 1, 'default'), 'Si': ((0.941176, 0.784314, 0.627451), 1, 'default'), 'Sn': ((0.4, 0.501961, 0.501961), 1, 'default'), 'Sm': ((0.560784, 1, 0.780392), 1, 'default'), 'V': ((0.65098, 0.65098, 0.670588), 1, 'default'), 'Sc': ((0.901961, 0.901961, 0.901961), 1, 'default'), 'Sb': ((0.619608, 0.388235, 0.709804), 1, 'default'), 'Sg': ((0.85098, 0, 0.270588), 1, 'default'), 'Se': ((1, 0.631373, 0), 1, 'default'), 'Co': ((0.941176, 0.564706, 0.627451), 1, 'default'), 'Cm': ((0.470588, 0.360784, 0.890196), 1, 'default'), 'Cl': ((0.121569, 0.941176, 0.121569), 1, 'default'), 'Ca': ((0.239216, 1, 0), 1, 'default'), 'Cf': ((0.631373, 0.211765, 0.831373), 1, 'default'), 'Ce': ((1, 1, 0.780392), 1, 'default'), 'Cd': ((1, 0.85098, 0.560784), 1, 'default'), 'Tm': ((0, 0.831373, 0.321569), 1, 'default'), 'Cs': ((0.341176, 0.0901961, 0.560784), 1, 'default'), 'Cr': ((0.541176, 0.6, 0.780392), 1, 'default'), 'Cu': ((0.784314, 0.501961, 0.2), 1, 'default'), 'La': ((0.439216, 0.831373, 1), 1, 'default'), 'Li': ((0.8, 0.501961, 1), 1, 'default'), 'Tl': ((0.65098, 0.329412, 0.301961), 1, 'default'), 'Lu': ((0, 0.670588, 0.141176), 1, 'default'), 'Lr': ((0.780392, 0, 0.4), 1, 'default'), 'Th': ((0, 0.729412, 1), 1, 'default'), 'Ti': ((0.74902, 0.760784, 0.780392), 1, 'default'), 'Te': ((0.831373, 0.478431, 0), 1, 'default'), 'Tb': ((0.188235, 1, 0.780392), 1, 'default'), 'Tc': ((0.231373, 0.619608, 0.619608), 1, 'default'), 'Ta': ((0.301961, 0.65098, 1), 1, 'default'), 'Yb': ((0, 0.74902, 0.219608), 1, 'default'), 'Db': ((0.819608, 0, 0.309804), 1, 'default'), 'navy blue': ((0, 0, 0.501961), 1, 'default'), '_openColor09': ((1, 0.67, 0), 1, 'default'), 'At': ((0.458824, 0.309804, 0.270588), 1, 'default'), 'I': ((0.580392, 0, 0.580392), 1, 'default'), 'medium purple': ((0.576471, 0.439216, 0.858824), 1, 'default'), 'U': ((0, 0.560784, 1), 1, 'default'), 'Y': ((0.580392, 1, 1), 1, 'default'), 'Ac': ((0.439216, 0.670588, 0.980392), 1, 'default'), 'Ag': ((0.752941, 0.752941, 0.752941), 1, 'default'), 'Ir': ((0.0901961, 0.329412, 0.529412), 1, 'default'), 'Am': ((0.329412, 0.360784, 0.94902), 1, 'default'), 'Al': ((0.74902, 0.65098, 0.65098), 1, 'default'), 'As': ((0.741176, 0.501961, 0.890196), 1, 'default'), 'Ar': ((0.501961, 0.819608, 0.890196), 1, 'default'), 'Au': ((1, 0.819608, 0.137255), 1, 'default'), 'Es': ((0.701961, 0.121569, 0.831373), 1, 'default'), 'In': ((0.65098, 0.458824, 0.45098), 1, 'default'), 'Mo': ((0.329412, 0.709804, 0.709804), 1, 'default')} materials = {'default': ((1, 1, 1), 30)} pbInfo = {'category': ['coordination complexes of 1h6m (#0)', 'distance monitor'], 'bondInfo': [{'color': (6, None, {}), 'atoms': [[1374, 898], [1374, 1376], [1374, 964], [1374, 1144], [1374, 1375], [1374, 912]], 'label': (6, '', {}), 'halfbond': (6, False, {}), 'labelColor': (6, None, {}), 'drawMode': (6, 0, {}), 'display': (6, 2, {})}, {'color': (0, None, {}), 'atoms': [], 'label': (0, None, {}), 'halfbond': (0, None, {}), 'labelColor': (0, None, {}), 'drawMode': (0, None, {}), 'display': (0, None, {})}], 'lineType': (2, 2, {}), 'color': (2, 97, {135: [0]}), 'showStubBonds': (2, False, {}), 'lineWidth': (2, 2.5, {1: [1]}), 'stickScale': (2, 1, {}), 'id': [-1, -2]} colorInfo = {0: ('_openColor00', (1, 1, 1, 1)), 1: ('blue', (0, 0, 1, 1)), 2: ('', (0, 0.03125, 1, 1)), 3: ('', (0, 0.0625, 1, 1)), 4: ('', (0, 0.09375, 1, 1)), 5: ('', (0, 0.125, 1, 1)), 6: ('', (0, 0.15625, 1, 1)), 7: ('', (0, 0.1875, 1, 1)), 8: ('', (0, 0.21875, 1, 1)), 9: ('', (0, 0.25, 1, 1)), 10: ('', (0, 0.28125, 1, 1)), 11: ('', (0, 0.3125, 1, 1)), 12: ('', (0, 0.34375, 1, 1)), 13: ('', (0, 0.375, 1, 1)), 14: ('', (0, 0.40625, 1, 1)), 15: ('', (0, 0.4375, 1, 1)), 16: ('', (0, 0.46875, 1, 1)), 17: ('', (0, 0.5, 1, 1)), 18: ('', (0, 0.53125, 1, 1)), 19: ('', (0, 0.5625, 1, 1)), 20: ('', (0, 0.59375, 1, 1)), 21: ('', (0, 0.625, 1, 1)), 22: ('', (0, 0.65625, 1, 1)), 23: ('', (0, 0.6875, 1, 1)), 24: ('', (0, 0.71875, 1, 1)), 25: ('', (0, 0.75, 1, 1)), 26: ('', (0, 0.78125, 1, 1)), 27: ('', (0, 0.8125, 1, 1)), 28: ('', (0, 0.84375, 1, 1)), 29: ('', (0, 0.875, 1, 1)), 30: ('', (0, 0.90625, 1, 1)), 31: ('', (0, 0.9375, 1, 1)), 32: ('', (0, 0.96875, 1, 1)), 33: ('cyan', (0, 1, 1, 1)), 34: ('', (0, 1, 0.96875, 1)), 35: ('', (0, 1, 0.9375, 1)), 36: ('', (0, 1, 0.90625, 1)), 37: ('', 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1, 0, 1)), 72: ('', (0.21875, 1, 0, 1)), 73: ('', (0.25, 1, 0, 1)), 74: ('', (0.28125, 1, 0, 1)), 75: ('', (0.3125, 1, 0, 1)), 76: ('', (0.34375, 1, 0, 1)), 77: ('', (0.375, 1, 0, 1)), 78: ('', (0.40625, 1, 0, 1)), 79: ('', (0.4375, 1, 0, 1)), 80: ('', (0.46875, 1, 0, 1)), 81: ('', (0.5, 1, 0, 1)), 82: ('', (0.53125, 1, 0, 1)), 83: ('', (0.5625, 1, 0, 1)), 84: ('', (0.59375, 1, 0, 1)), 85: ('', (0.625, 1, 0, 1)), 86: ('', (0.65625, 1, 0, 1)), 87: ('', (0.6875, 1, 0, 1)), 88: ('', (0.71875, 1, 0, 1)), 89: ('', (0.75, 1, 0, 1)), 90: ('', (0.78125, 1, 0, 1)), 91: ('', (0.8125, 1, 0, 1)), 92: ('', (0.84375, 1, 0, 1)), 93: ('', (0.875, 1, 0, 1)), 94: ('', (0.90625, 1, 0, 1)), 95: ('', (0.9375, 1, 0, 1)), 96: ('', (0.96875, 1, 0, 1)), 97: ('yellow', (1, 1, 0, 1)), 98: ('', (1, 0.96875, 0, 1)), 99: ('', (1, 0.9375, 0, 1)), 100: ('', (1, 0.90625, 0, 1)), 101: ('', (1, 0.875, 0, 1)), 102: ('', (1, 0.84375, 0, 1)), 103: ('', (1, 0.8125, 0, 1)), 104: ('', (1, 0.78125, 0, 1)), 105: ('', (1, 0.75, 0, 1)), 106: ('', (1, 0.71875, 0, 1)), 107: ('', (1, 0.6875, 0, 1)), 108: ('', (1, 0.65625, 0, 1)), 109: ('', (1, 0.625, 0, 1)), 110: ('', (1, 0.59375, 0, 1)), 111: ('', (1, 0.5625, 0, 1)), 112: ('', (1, 0.53125, 0, 1)), 113: ('', (1, 0.5, 0, 1)), 114: ('', (1, 0.46875, 0, 1)), 115: ('', (1, 0.4375, 0, 1)), 116: ('', (1, 0.40625, 0, 1)), 117: ('', (1, 0.375, 0, 1)), 118: ('', (1, 0.34375, 0, 1)), 119: ('', (1, 0.3125, 0, 1)), 120: ('', (1, 0.28125, 0, 1)), 121: ('', (1, 0.25, 0, 1)), 122: ('', (1, 0.21875, 0, 1)), 123: ('', (1, 0.1875, 0, 1)), 124: ('', (1, 0.15625, 0, 1)), 125: ('', (1, 0.125, 0, 1)), 126: ('', (1, 0.09375, 0, 1)), 127: ('', (1, 0.0625, 0, 1)), 128: ('', (1, 0.03125, 0, 1)), 129: ('red', (1, 0, 0, 1)), 130: ('N', (0.188235, 0.313725, 0.972549, 1)), 131: ('S', (1, 1, 0.188235, 1)), 132: ('O', (1, 0.0509804, 0.0509804, 1)), 133: ('F', (0.564706, 0.878431, 0.313725, 1)), 134: ('Na', (0.670588, 0.360784, 0.94902, 1)), 135: ('medium purple', (0.576471, 0.439216, 0.858824, 1)), 136: ('black', (0, 0, 0, 1))} detail = 1 viewerFog = None viewerBG = 136 viewerHL = 65 viewerLB = 65 viewerAttrs = {'silhouetteColor': None, 'yonIntensity': 0.1, 'showSilhouette': False, 'startRatio': 0.5, 'viewSize': 31.7299, 'scaleFactor': 1, 'silhouetteWidth': 1, 'depthCue': True, 'highlight': 0, 'lensBorder': True} cameraAttrs = {'center': (-0.4175, 21.1565, 19.1105), 'fieldOfView': 35.6721, 'nearFar': (50.8404, -12.6194), 'ortho': False, 'eyeSeparation': 50.8, 'focal': 19.1105} cameraMode = 'mono' replyobj.status("Initializing session restore...", blankAfter=0) init(colorInfo) replyobj.status("Restoring colors...", blankAfter=0) restoreColors(colors, materials) replyobj.status("Restoring molecules...", blankAfter=0) restoreMolecules(molInfo, resInfo, atomInfo, bondInfo, crdInfo) replyobj.status("Restoring surfaces...", blankAfter=0) restoreSurfaces(surfInfo) replyobj.status("Restoring VRML models...", blankAfter=0) restoreVRML(vrmlInfo) replyobj.status("Restoring pseudobond groups...", blankAfter=0) restorePseudoBondGroups(pbInfo) replyobj.status("Restoring camera...", blankAfter=0) restoreCamera(detail, viewerFog, viewerBG, viewerHL, viewerLB, viewerAttrs, cameraAttrs, cameraMode) replyobj.status("Restoring other models...", blankAfter=0) try: restoreCoreModels() except: reportRestoreError("Error restoring core models") replyobj.status("Restoring extension info...", blankAfter=0) try: seqInfo = [ {'markups': {}, 'numberingStart': 1, 'attrs': {}, 'name': '1h6m (#0) chain A', 'sequence': ['K', 'V', 'F', 'G', 'R', 'C', 'E', 'L', 'A', 'A', 'A', 'M', 'K', 'R', 'H', 'G', 'L', 'D', 'N', 'Y', 'R', 'G', 'Y', 'S', 'L', 'G', 'N', 'W', 'V', 'C', 'A', 'A', 'K', 'F', 'Q', 'S', 'N', 'F', 'N', 'T', 'Q', 'A', 'T', 'N', 'R', 'N', 'T', 'D', 'G', 'S', 'T', 'D', 'Y', 'G', 'I', 'L', 'Q', 'I', 'N', 'S', 'R', 'W', 'W', 'C', 'N', 'D', 'G', 'R', 'T', 'P', 'G', 'S', 'R', 'N', 'L', 'C', 'N', 'I', 'P', 'C', 'S', 'A', 'L', 'L', 'S', 'S', 'D', 'I', 'T', 'A', 'S', 'V', 'N', 'C', 'A', 'K', 'K', 'I', 'V', 'S', 'D', 'G', 'N', 'G', 'M', 'N', 'A', 'W', 'V', 'A', 'W', 'R', 'N', 'R', 'C', 'K', 'G', 'T', 'D', 'V', 'Q', 'A', 'W', 'I', 'R', 'G', 'C', 'R', 'L']} , ] from chimera.Sequence import restoreSequence seqs = [restoreSequence(s) for s in seqInfo] from MultAlignViewer.MAViewer import restoreMAV registerAfterModelsCB(lambda rm=restoreMAV, s=seqs: rm(s, {'associations': [(0, 0)], 'specials': [{'class': 'ChargeSeq', 'name': 'Charge variation'}, {'class': 'DistanceSeq', 'name': 'RMSD'}], 'region associations': {}, 'ruler shown': 1, 'title': '1h6m (#0) chain A', 'fileMarkups': {}, 'numberingsStripped': False, 'fileAttrs': {}, 'regions': [{'shown': True, 'blocks': [[0, 0, 34, 34]], 'outline': None, 'coverGaps': True, 'fill': [1, 1, 1], 'select': True, 'name': None}, {'shown': True, 'blocks': [], 'outline': None, 'coverGaps': False, 'fill': [0, 1, 0], 'select': False, 'name': 'Chimera selection'}, {'shown': True, 'blocks': [[0, 0, 42, 44], [0, 0, 50, 52], [0, 0, 57, 58]], 'outline': [0.196078, 0.803922, 0.196078], 'coverGaps': False, 'fill': (0.8, 1, 0.8), 'select': False, 'name': 'structure strands'}, {'shown': True, 'blocks': [[0, 0, 3, 14], [0, 0, 23, 36], [0, 0, 79, 84], [0, 0, 87, 99], [0, 0, 102, 114], [0, 0, 118, 124]], 'outline': [0.854902, 0.647059, 0.12549], 'coverGaps': False, 'fill': (1, 1, 0.8), 'select': False, 'name': 'structure helices'}], 'mseqs': [{'name': 'chain A', 'sequence': ['K', 'V', 'F', 'G', 'R', 'C', 'E', 'L', 'A', 'A', 'A', 'M', 'K', 'R', 'H', 'G', 'L', 'D', 'N', 'Y', 'R', 'G', 'Y', 'S', 'L', 'G', 'N', 'W', 'V', 'C', 'A', 'A', 'K', 'F', 'Q', 'S', 'N', 'F', 'N', 'T', 'Q', 'A', 'T', 'N', 'R', 'N', 'T', 'D', 'G', 'S', 'T', 'D', 'Y', 'G', 'I', 'L', 'Q', 'I', 'N', 'S', 'R', 'W', 'W', 'C', 'N', 'D', 'G', 'R', 'T', 'P', 'G', 'S', 'R', 'N', 'L', 'C', 'N', 'I', 'P', 'C', 'S', 'A', 'L', 'L', 'S', 'S', 'D', 'I', 'T', 'A', 'S', 'V', 'N', 'C', 'A', 'K', 'K', 'I', 'V', 'S', 'D', 'G', 'N', 'G', 'M', 'N', 'A', 'W', 'V', 'A', 'W', 'R', 'N', 'R', 'C', 'K', 'G', 'T', 'D', 'V', 'Q', 'A', 'W', 'I', 'R', 'G', 'C', 'R', 'L'], 'numberingStart': 1, 'molecule': 0, 'residues': [1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129], 'markups': {}, 'attrs': {}, 'resMap': {1: 0, 2: 1, 3: 2, 4: 3, 5: 4, 6: 5, 7: 6, 8: 7, 9: 8, 10: 9, 11: 10, 12: 11, 13: 12, 14: 13, 15: 14, 16: 15, 17: 16, 18: 17, 19: 18, 20: 19, 21: 20, 22: 21, 23: 22, 24: 23, 25: 24, 26: 25, 27: 26, 28: 27, 29: 28, 30: 29, 31: 30, 32: 31, 33: 32, 34: 33, 35: 34, 36: 35, 37: 36, 38: 37, 39: 38, 40: 39, 41: 40, 42: 41, 43: 42, 44: 43, 45: 44, 46: 45, 47: 46, 48: 47, 49: 48, 50: 49, 51: 50, 52: 51, 53: 52, 54: 53, 55: 54, 56: 55, 57: 56, 58: 57, 59: 58, 60: 59, 61: 60, 62: 61, 63: 62, 64: 63, 65: 64, 66: 65, 67: 66, 68: 67, 69: 68, 70: 69, 71: 70, 72: 71, 73: 72, 74: 73, 75: 74, 76: 75, 77: 76, 78: 77, 79: 78, 80: 79, 81: 80, 82: 81, 83: 82, 84: 83, 85: 84, 86: 85, 87: 86, 88: 87, 89: 88, 90: 89, 91: 90, 92: 91, 93: 92, 94: 93, 95: 94, 96: 95, 97: 96, 98: 97, 99: 98, 100: 99, 101: 100, 102: 101, 103: 102, 104: 103, 105: 104, 106: 105, 107: 106, 108: 107, 109: 108, 110: 109, 111: 110, 112: 111, 113: 112, 114: 113, 115: 114, 116: 115, 117: 116, 118: 117, 119: 118, 120: 119, 121: 120, 122: 121, 123: 122, 124: 123, 125: 124, 126: 125, 127: 126, 128: 127, 129: 128}}], 'numberings': (1, 0), 'header shown': [False, False, False, False], 'autoAssociate': False})) del seqInfo, restoreSequence, s, seqs, restoreMAV except: reportRestoreError('Error restoring MultAlignViewer instance 1h6m (#0) chain A in session') def restoreLightController(): import Lighting c = Lighting.get().setFromParams({'shininess': (30.0, (1.0, 1.0, 1.0), 1.0), 'key': (True, (1.0, 1.0, 1.0), 0.65327227115631104, (1.0, 1.0, 1.0), 1.0, (-0.35740674433659325, 0.66040155174814541, 0.66040155174814552)), 'fill': (True, (1.0, 1.0, 1.0), 0.49998998641967773, (1.0, 1.0, 1.0), 0.0, (0.25056280708573153, 0.25056280708573153, 0.93511312653102929))}) try: restoreLightController() except: reportRestoreError("Error restoring lighting parameters") def restoreSession_RibbonStyleEditor(): import SimpleSession import RibbonStyleEditor userScalings = [] userXSections = [] userResidueClasses = [] residueData = [(1, 'Chimera default', 'rounded', 'amino acid'), (2, 'Chimera default', 'rounded', 'amino acid'), (3, 'Chimera default', 'rounded', 'amino acid'), (4, 'Chimera default', 'rounded', 'amino acid'), (5, 'Chimera default', 'rounded', 'amino acid'), (6, 'Chimera default', 'rounded', 'amino acid'), (7, 'Chimera 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'rounded', 'nucleic acid rotated'), (324, 'Chimera default', 'rounded', 'nucleic acid rotated'), (325, 'Chimera default', 'rounded', 'nucleic acid rotated'), (326, 'Chimera default', 'rounded', 'nucleic acid rotated'), (327, 'Chimera default', 'rounded', 'nucleic acid rotated'), (328, 'Chimera default', 'rounded', 'nucleic acid rotated'), (329, 'Chimera default', 'rounded', 'nucleic acid rotated'), (330, 'Chimera default', 'rounded', 'nucleic acid rotated'), (331, 'Chimera default', 'rounded', 'nucleic acid rotated'), (332, 'Chimera default', 'rounded', 'nucleic acid rotated'), (333, 'Chimera default', 'rounded', 'nucleic acid rotated'), (334, 'Chimera default', 'rounded', 'nucleic acid rotated'), (335, 'Chimera default', 'rounded', 'nucleic acid rotated'), (336, 'Chimera default', 'rounded', 'nucleic acid rotated'), (337, 'Chimera default', 'rounded', 'nucleic acid rotated')] SimpleSession.registerAfterModelsCB(RibbonStyleEditor.restoreState, (userScalings, userXSections, userResidueClasses, residueData)) try: restoreSession_RibbonStyleEditor() except: reportRestoreError("Error restoring RibbonStyleEditor state") def restoreMidasText(): from Midas import midas_text midas_text.aliases = {} midas_text.userSurfCategories = {} try: restoreMidasText() except: reportRestoreError('Error restoring Midas text state') def restoreMidasBase(): import chimera from SimpleSession import modelMap, modelOffset def deformatPosition(pos): xfDict = {} for molId, xfData in pos[5].items(): mid, subid = molId trData, rotData = xfData xf = chimera.Xform.translation(*trData) xf.rotate(*rotData) xfDict[(mid+modelOffset, subid)] = xf try: from chimera.misc import KludgeWeakWrappyDict clipDict = KludgeWeakWrappyDict("Model") except ImportError: from weakref import WeakKeyDictionary clipDict = WeakKeyDictionary() for clipID, clipInfo in pos[6].items(): mid, subid, className = clipID models = [m for m in modelMap.get((mid, subid), []) if m.__class__.__name__ == className] if not models: continue useClip, ox, oy, oz, nx, ny, nz, useThick, thickness = clipInfo if useClip: origin = chimera.Point(ox, oy, oz) normal = chimera.Vector(nx, ny, nz) plane = chimera.Plane(origin, normal) else: plane = chimera.Plane() for m in models: clipDict[m] = (useClip, plane, useThick, thickness) return pos[:5] + (xfDict, clipDict) + pos[7:] formattedPositions = {} positions = {} for name, fpos in formattedPositions.items(): positions[name] = deformatPosition(fpos) import Midas if modelOffset > 0: Midas.positions.clear() Midas.positions.update(positions) positionStack = [] Midas._positionStack = map(deformatPosition, positionStack) def delayedMidasBase(): try: restoreMidasBase() except: reportRestoreError('Error restoring Midas base state') import SimpleSession SimpleSession.registerAfterModelsCB(delayedMidasBase) try: import StructMeasure from StructMeasure.DistMonitor import restoreDistances registerAfterModelsCB(restoreDistances, 1) except: reportRestoreError("Error restoring distances in session") def restoreRemainder(): from SimpleSession.versions.v37 import restoreWindowSize, \ restoreOpenStates, restoreSelections, restoreFontInfo, \ restoreOpenModelsAttrs, restoreModelClip curSelIds = [1171, 1173, 529, 1172, 533, 528, 531, 1170, 1175, 532, 1169, 1176, 526, 1174, 530, 527, 2434, 1777, 2432, 1773, 1774, 2437, 1775, 2435, 1772, 2433, 2431, 2438, 1778, 1776, 2436] savedSels = [] openModelsAttrs = { 'cofrMethod': 1 } windowSize = (1256, 741) xformMap = {0: (((0.399076, 0.360237, 0.843189), 30.8557), (3.37824, 5.34707, -1.74665), True)} fontInfo = {'face': ('Sans Serif', 'Normal', 16)} clipPlaneInfo = {} replyobj.status("Restoring window...", blankAfter=0) restoreWindowSize(windowSize) replyobj.status("Restoring open states...", blankAfter=0) restoreOpenStates(xformMap) replyobj.status("Restoring font info...", blankAfter=0) restoreFontInfo(fontInfo) replyobj.status("Restoring selections...", blankAfter=0) restoreSelections(curSelIds, savedSels) replyobj.status("Restoring openModel attributes...", blankAfter=0) restoreOpenModelsAttrs(openModelsAttrs) replyobj.status("Restoring model clipping...", blankAfter=0) restoreModelClip(clipPlaneInfo) replyobj.status("Restoring remaining extension info...", blankAfter=0) try: restoreRemainder() except: reportRestoreError("Error restoring post-model state") from SimpleSession.versions.v37 import makeAfterModelsCBs makeAfterModelsCBs() from SimpleSession.versions.v37 import endRestore replyobj.status('Finishing restore...', blankAfter=0) endRestore() replyobj.status('Restore finished.')