HEADER TOXIN 11-JUL-11 3STQ
TITLE HYPOTHETICAL PROTEIN PA2703 PSEUDOMONAS AERUGINOSA PAO1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN;
COMPND 3 CHAIN: A, B, C, D, E, F;
COMPND 4 SYNONYM: TSI2;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA;
SOURCE 3 ORGANISM_TAXID: 287;
SOURCE 4 GENE: PA2703;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: B834(DE3);
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28A
KEYWDS COILED-COIL, TOXIN-ANTITOXIN SYSTEM, TSI2-TSE2, T6SS, TOXIN IMMUNITY,
KEYWDS 2 TOXIN
EXPDTA X-RAY DIFFRACTION
AUTHOR T.T.ZOU,M.T.WANG,Q.JIN,S.CUI
REVDAT 2 19-JUN-13 3STQ 1 JRNL
REVDAT 1 08-FEB-12 3STQ 0
JRNL AUTH T.T.ZOU,X.YAO,B.QIN,M.ZHANG,L.F.CAI,W.SHANG,D.I.SVERGUN,
JRNL AUTH 2 M.T.WANG,S.CUI,Q.JIN
JRNL TITL CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA TSI2 REVEALS A
JRNL TITL 2 STABLY FOLDED SUPERHELICAL ANTITOXIN
JRNL REF J.MOL.BIOL. V. 417 351 2012
JRNL REFN ISSN 0022-2836
JRNL PMID 22310046
JRNL DOI 10.1016/J.JMB.2012.01.040
REMARK 2
REMARK 2 RESOLUTION. 2.28 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.6.1_357)
REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN
REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-
REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,
REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL
REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE
REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM
REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,
REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER
REMARK 3 : ZWART
REMARK 3
REMARK 3 REFINEMENT TARGET : ML
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.28
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 88.90
REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.470
REMARK 3 COMPLETENESS FOR RANGE (%) : 99.6
REMARK 3 NUMBER OF REFLECTIONS : 34218
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.209
REMARK 3 R VALUE (WORKING SET) : 0.208
REMARK 3 FREE R VALUE : 0.238
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000
REMARK 3 FREE R VALUE TEST SET COUNT : 1710
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS).
REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE
REMARK 3 1 88.9667 - 5.2277 1.00 2877 150 0.2292 0.2305
REMARK 3 2 5.2277 - 4.1494 1.00 2760 145 0.1832 0.1996
REMARK 3 3 4.1494 - 3.6249 1.00 2727 144 0.1897 0.2221
REMARK 3 4 3.6249 - 3.2934 1.00 2700 142 0.2036 0.2457
REMARK 3 5 3.2934 - 3.0574 1.00 2719 143 0.2070 0.2677
REMARK 3 6 3.0574 - 2.8771 1.00 2692 142 0.2167 0.2427
REMARK 3 7 2.8771 - 2.7330 1.00 2720 143 0.2148 0.2394
REMARK 3 8 2.7330 - 2.6140 1.00 2670 141 0.2199 0.2664
REMARK 3 9 2.6140 - 2.5134 1.00 2701 142 0.2180 0.2710
REMARK 3 10 2.5134 - 2.4266 1.00 2668 140 0.2161 0.2447
REMARK 3 11 2.4266 - 2.3508 1.00 2701 142 0.2148 0.2933
REMARK 3 12 2.3508 - 2.2836 0.96 2573 136 0.2235 0.2432
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL
REMARK 3 SOLVENT RADIUS : 1.11
REMARK 3 SHRINKAGE RADIUS : 0.90
REMARK 3 K_SOL : 0.34
REMARK 3 B_SOL : 43.37
REMARK 3
REMARK 3 ERROR ESTIMATES.
REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.290
REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.960
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 44.17
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 47.67
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : 3.39940
REMARK 3 B22 (A**2) : -0.82930
REMARK 3 B33 (A**2) : -2.57010
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 TWINNING INFORMATION.
REMARK 3 FRACTION: NULL
REMARK 3 OPERATOR: NULL
REMARK 3
REMARK 3 DEVIATIONS FROM IDEAL VALUES.
REMARK 3 RMSD COUNT
REMARK 3 BOND : 0.008 3984
REMARK 3 ANGLE : 1.096 5425
REMARK 3 CHIRALITY : 0.071 612
REMARK 3 PLANARITY : 0.006 747
REMARK 3 DIHEDRAL : 17.061 1524
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : NULL
REMARK 3
REMARK 3 NCS DETAILS
REMARK 3 NUMBER OF NCS GROUPS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 3STQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 21-JUL-11.
REMARK 100 THE RCSB ID CODE IS RCSB066639.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 20-AUG-10
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 3.6
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : SLS
REMARK 200 BEAMLINE : X06DA
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.9794
REMARK 200 MONOCHROMATOR : DOUBLE CHANNEL-CUT SI(111)
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS PACKAGE
REMARK 200 DATA SCALING SOFTWARE : XDS PACKAGE
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 34226
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.280
REMARK 200 RESOLUTION RANGE LOW (A) : 88.900
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 3.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5
REMARK 200 DATA REDUNDANCY : 7.730
REMARK 200 R MERGE (I) : 0.08200
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 18.6900
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.28
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.42
REMARK 200 COMPLETENESS FOR SHELL (%) : 97.4
REMARK 200 DATA REDUNDANCY IN SHELL : 7.40
REMARK 200 R MERGE FOR SHELL (I) : 0.62700
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.310
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD
REMARK 200 SOFTWARE USED: SHARP
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 55.27
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.75
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 100MM CITRIC ACID, 16%(V/V) MPD, PH
REMARK 280 3.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295.0K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 21 21 21
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X+1/2,-Y,Z+1/2
REMARK 290 3555 -X,Y+1/2,-Z+1/2
REMARK 290 4555 X+1/2,-Y+1/2,-Z
REMARK 290 5555 X+1/2,Y+1/2,Z+1/2
REMARK 290 6555 -X,-Y+1/2,Z
REMARK 290 7555 -X+1/2,Y,-Z
REMARK 290 8555 X,-Y,-Z+1/2
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 45.94850
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 71.73350
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 56.63250
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 71.73350
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 45.94850
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 56.63250
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 45.94850
REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 56.63250
REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 71.73350
REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 56.63250
REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 45.94850
REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 71.73350
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1, 2, 3, 4
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
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 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 2800 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 10400 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -18.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, E
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 350
REMARK 350 BIOMOLECULE: 2
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 2920 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 9390 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -22.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, F
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 350
REMARK 350 BIOMOLECULE: 3
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 2820 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 10760 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -19.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C
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 350 BIOMT1 2 -1.000000 0.000000 0.000000 45.94850
REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 143.46700
REMARK 350
REMARK 350 BIOMOLECULE: 4
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 2840 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 10570 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -20.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D
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 350 BIOMT1 2 -1.000000 0.000000 0.000000 137.84550
REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 143.46700
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465 M RES C SSSEQI
REMARK 465 MET A -24
REMARK 465 GLY A -23
REMARK 465 SER A -22
REMARK 465 SER A -21
REMARK 465 HIS A -20
REMARK 465 HIS A -19
REMARK 465 HIS A -18
REMARK 465 HIS A -17
REMARK 465 HIS A -16
REMARK 465 HIS A -15
REMARK 465 SER A -14
REMARK 465 GLN A -13
REMARK 465 GLU A 74
REMARK 465 PRO A 75
REMARK 465 ALA A 76
REMARK 465 SER A 77
REMARK 465 MET B -24
REMARK 465 GLY B -23
REMARK 465 SER B -22
REMARK 465 SER B -21
REMARK 465 HIS B -20
REMARK 465 HIS B -19
REMARK 465 HIS B -18
REMARK 465 HIS B -17
REMARK 465 HIS B -16
REMARK 465 HIS B -15
REMARK 465 SER B -14
REMARK 465 GLN B -13
REMARK 465 GLU B 74
REMARK 465 PRO B 75
REMARK 465 ALA B 76
REMARK 465 SER B 77
REMARK 465 MET C -24
REMARK 465 GLY C -23
REMARK 465 SER C -22
REMARK 465 SER C -21
REMARK 465 HIS C -20
REMARK 465 HIS C -19
REMARK 465 HIS C -18
REMARK 465 HIS C -17
REMARK 465 HIS C -16
REMARK 465 HIS C -15
REMARK 465 SER C -14
REMARK 465 GLU C 73
REMARK 465 GLU C 74
REMARK 465 PRO C 75
REMARK 465 ALA C 76
REMARK 465 SER C 77
REMARK 465 MET D -24
REMARK 465 GLY D -23
REMARK 465 SER D -22
REMARK 465 SER D -21
REMARK 465 HIS D -20
REMARK 465 HIS D -19
REMARK 465 HIS D -18
REMARK 465 HIS D -17
REMARK 465 HIS D -16
REMARK 465 HIS D -15
REMARK 465 SER D -14
REMARK 465 GLN D -13
REMARK 465 GLU D 74
REMARK 465 PRO D 75
REMARK 465 ALA D 76
REMARK 465 SER D 77
REMARK 465 MET E -24
REMARK 465 GLY E -23
REMARK 465 SER E -22
REMARK 465 SER E -21
REMARK 465 HIS E -20
REMARK 465 HIS E -19
REMARK 465 HIS E -18
REMARK 465 HIS E -17
REMARK 465 HIS E -16
REMARK 465 HIS E -15
REMARK 465 SER E -14
REMARK 465 GLN E -13
REMARK 465 GLU E 74
REMARK 465 PRO E 75
REMARK 465 ALA E 76
REMARK 465 SER E 77
REMARK 465 MET F -24
REMARK 465 GLY F -23
REMARK 465 SER F -22
REMARK 465 SER F -21
REMARK 465 HIS F -20
REMARK 465 HIS F -19
REMARK 465 HIS F -18
REMARK 465 HIS F -17
REMARK 465 HIS F -16
REMARK 465 HIS F -15
REMARK 465 SER F -14
REMARK 465 GLN F -13
REMARK 465 ASP F -12
REMARK 465 PRO F -11
REMARK 465 LEU F -10
REMARK 465 GLU F -9
REMARK 465 VAL F -8
REMARK 465 LEU F -7
REMARK 465 PHE F -6
REMARK 465 GLN F -5
REMARK 465 GLU F 73
REMARK 465 GLU F 74
REMARK 465 PRO F 75
REMARK 465 ALA F 76
REMARK 465 SER F 77
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 DISTANCE
REMARK 500 O HOH E 83 O HOH E 124 1.95
REMARK 500 O HOH D 83 O HOH D 103 1.95
REMARK 500 O SER F 0 O HOH F 91 2.03
REMARK 500 O HOH E 148 O HOH E 167 2.04
REMARK 500 OE1 GLN B 27 O HOH B 87 2.06
REMARK 500 O ASN F 2 O HOH F 110 2.08
REMARK 500 OD2 ASP C -12 O HOH C 141 2.09
REMARK 500 OD2 ASP E 45 OE2 GLU F 38 2.10
REMARK 500 O GLY C 60 O HOH C 142 2.12
REMARK 500 OE1 GLN B 25 O HOH B 132 2.14
REMARK 500 N ASN F 2 O HOH F 86 2.16
REMARK 500 NZ LYS C 4 O HOH C 154 2.17
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
REMARK 500
REMARK 500 DISTANCE CUTOFF:
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
REMARK 500 OD2 ASP A 45 OE2 GLU B 38 3645 2.04
REMARK 500 O HOH B 128 O HOH F 105 6655 2.08
REMARK 500 O HOH A 127 O HOH B 130 3645 2.12
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 GLN A 27 107.00 -55.40
REMARK 500 ASN A 28 78.98 69.49
REMARK 500 GLU B -2 81.46 -67.34
REMARK 500 ARG B 70 -48.20 73.09
REMARK 500 GLU C 21 -2.88 -57.66
REMARK 500 GLN C 25 -8.50 -55.35
REMARK 500 ASN C 28 -155.17 -79.51
REMARK 500 ASP C 29 -87.08 -139.62
REMARK 500 PRO C 31 25.54 -75.84
REMARK 500 GLN C 32 -43.38 -148.92
REMARK 500 PHE D -6 -63.78 -93.99
REMARK 500 LEU D 26 -76.31 -146.99
REMARK 500 ASN D 28 74.20 130.29
REMARK 500 ASP D 29 178.79 77.54
REMARK 500 ASP D 30 119.04 62.79
REMARK 500 PRO D 31 -101.49 -126.32
REMARK 500 GLN D 32 -127.68 76.07
REMARK 500 ALA D 34 -94.33 133.03
REMARK 500 LEU E -10 -108.06 57.03
REMARK 500 GLU E -9 -56.22 -14.55
REMARK 500 LEU F 65 115.42 57.79
REMARK 500 ARG F 70 4.24 -69.32
REMARK 500
REMARK 500 REMARK: NULL
DBREF 3STQ A 1 77 UNP Q9I0D9 Q9I0D9_PSEAE 1 77
DBREF 3STQ B 1 77 UNP Q9I0D9 Q9I0D9_PSEAE 1 77
DBREF 3STQ C 1 77 UNP Q9I0D9 Q9I0D9_PSEAE 1 77
DBREF 3STQ D 1 77 UNP Q9I0D9 Q9I0D9_PSEAE 1 77
DBREF 3STQ E 1 77 UNP Q9I0D9 Q9I0D9_PSEAE 1 77
DBREF 3STQ F 1 77 UNP Q9I0D9 Q9I0D9_PSEAE 1 77
SEQADV 3STQ MET A -24 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLY A -23 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER A -22 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER A -21 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS A -20 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS A -19 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS A -18 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS A -17 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS A -16 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS A -15 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER A -14 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLN A -13 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ ASP A -12 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PRO A -11 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ LEU A -10 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLU A -9 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ VAL A -8 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ LEU A -7 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PHE A -6 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLN A -5 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLY A -4 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PRO A -3 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLU A -2 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ ALA A -1 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER A 0 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ MET B -24 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLY B -23 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER B -22 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER B -21 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS B -20 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS B -19 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS B -18 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS B -17 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS B -16 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS B -15 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER B -14 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLN B -13 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ ASP B -12 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PRO B -11 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ LEU B -10 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLU B -9 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ VAL B -8 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ LEU B -7 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PHE B -6 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLN B -5 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLY B -4 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PRO B -3 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLU B -2 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ ALA B -1 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER B 0 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ MET C -24 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLY C -23 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER C -22 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER C -21 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS C -20 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS C -19 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS C -18 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS C -17 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS C -16 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS C -15 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER C -14 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLN C -13 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ ASP C -12 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PRO C -11 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ LEU C -10 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLU C -9 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ VAL C -8 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ LEU C -7 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PHE C -6 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLN C -5 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLY C -4 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PRO C -3 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLU C -2 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ ALA C -1 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER C 0 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ MET D -24 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLY D -23 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER D -22 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER D -21 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS D -20 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS D -19 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS D -18 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS D -17 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS D -16 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS D -15 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER D -14 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLN D -13 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ ASP D -12 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PRO D -11 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ LEU D -10 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLU D -9 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ VAL D -8 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ LEU D -7 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PHE D -6 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLN D -5 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLY D -4 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PRO D -3 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLU D -2 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ ALA D -1 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER D 0 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ MET E -24 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLY E -23 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER E -22 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER E -21 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS E -20 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS E -19 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS E -18 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS E -17 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS E -16 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS E -15 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER E -14 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLN E -13 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ ASP E -12 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PRO E -11 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ LEU E -10 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLU E -9 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ VAL E -8 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ LEU E -7 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PHE E -6 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLN E -5 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLY E -4 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PRO E -3 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLU E -2 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ ALA E -1 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER E 0 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ MET F -24 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLY F -23 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER F -22 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER F -21 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS F -20 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS F -19 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS F -18 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS F -17 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS F -16 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ HIS F -15 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER F -14 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLN F -13 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ ASP F -12 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PRO F -11 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ LEU F -10 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLU F -9 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ VAL F -8 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ LEU F -7 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PHE F -6 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLN F -5 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLY F -4 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ PRO F -3 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ GLU F -2 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ ALA F -1 UNP Q9I0D9 EXPRESSION TAG
SEQADV 3STQ SER F 0 UNP Q9I0D9 EXPRESSION TAG
SEQRES 1 A 102 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER GLN ASP
SEQRES 2 A 102 PRO LEU GLU VAL LEU PHE GLN GLY PRO GLU ALA SER MET
SEQRES 3 A 102 ASN LEU LYS PRO GLN THR LEU MET VAL ALA ILE GLN CYS
SEQRES 4 A 102 VAL ALA ALA ARG THR ARG GLU LEU ASP ALA GLN LEU GLN
SEQRES 5 A 102 ASN ASP ASP PRO GLN ASN ALA ALA GLU LEU GLU GLN LEU
SEQRES 6 A 102 LEU VAL GLY TYR ASP LEU ALA ALA ASP ASP LEU LYS ASN
SEQRES 7 A 102 ALA TYR GLU GLN ALA LEU GLY GLN TYR SER GLY LEU PRO
SEQRES 8 A 102 PRO TYR ASP ARG LEU ILE GLU GLU PRO ALA SER
SEQRES 1 B 102 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER GLN ASP
SEQRES 2 B 102 PRO LEU GLU VAL LEU PHE GLN GLY PRO GLU ALA SER MET
SEQRES 3 B 102 ASN LEU LYS PRO GLN THR LEU MET VAL ALA ILE GLN CYS
SEQRES 4 B 102 VAL ALA ALA ARG THR ARG GLU LEU ASP ALA GLN LEU GLN
SEQRES 5 B 102 ASN ASP ASP PRO GLN ASN ALA ALA GLU LEU GLU GLN LEU
SEQRES 6 B 102 LEU VAL GLY TYR ASP LEU ALA ALA ASP ASP LEU LYS ASN
SEQRES 7 B 102 ALA TYR GLU GLN ALA LEU GLY GLN TYR SER GLY LEU PRO
SEQRES 8 B 102 PRO TYR ASP ARG LEU ILE GLU GLU PRO ALA SER
SEQRES 1 C 102 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER GLN ASP
SEQRES 2 C 102 PRO LEU GLU VAL LEU PHE GLN GLY PRO GLU ALA SER MET
SEQRES 3 C 102 ASN LEU LYS PRO GLN THR LEU MET VAL ALA ILE GLN CYS
SEQRES 4 C 102 VAL ALA ALA ARG THR ARG GLU LEU ASP ALA GLN LEU GLN
SEQRES 5 C 102 ASN ASP ASP PRO GLN ASN ALA ALA GLU LEU GLU GLN LEU
SEQRES 6 C 102 LEU VAL GLY TYR ASP LEU ALA ALA ASP ASP LEU LYS ASN
SEQRES 7 C 102 ALA TYR GLU GLN ALA LEU GLY GLN TYR SER GLY LEU PRO
SEQRES 8 C 102 PRO TYR ASP ARG LEU ILE GLU GLU PRO ALA SER
SEQRES 1 D 102 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER GLN ASP
SEQRES 2 D 102 PRO LEU GLU VAL LEU PHE GLN GLY PRO GLU ALA SER MET
SEQRES 3 D 102 ASN LEU LYS PRO GLN THR LEU MET VAL ALA ILE GLN CYS
SEQRES 4 D 102 VAL ALA ALA ARG THR ARG GLU LEU ASP ALA GLN LEU GLN
SEQRES 5 D 102 ASN ASP ASP PRO GLN ASN ALA ALA GLU LEU GLU GLN LEU
SEQRES 6 D 102 LEU VAL GLY TYR ASP LEU ALA ALA ASP ASP LEU LYS ASN
SEQRES 7 D 102 ALA TYR GLU GLN ALA LEU GLY GLN TYR SER GLY LEU PRO
SEQRES 8 D 102 PRO TYR ASP ARG LEU ILE GLU GLU PRO ALA SER
SEQRES 1 E 102 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER GLN ASP
SEQRES 2 E 102 PRO LEU GLU VAL LEU PHE GLN GLY PRO GLU ALA SER MET
SEQRES 3 E 102 ASN LEU LYS PRO GLN THR LEU MET VAL ALA ILE GLN CYS
SEQRES 4 E 102 VAL ALA ALA ARG THR ARG GLU LEU ASP ALA GLN LEU GLN
SEQRES 5 E 102 ASN ASP ASP PRO GLN ASN ALA ALA GLU LEU GLU GLN LEU
SEQRES 6 E 102 LEU VAL GLY TYR ASP LEU ALA ALA ASP ASP LEU LYS ASN
SEQRES 7 E 102 ALA TYR GLU GLN ALA LEU GLY GLN TYR SER GLY LEU PRO
SEQRES 8 E 102 PRO TYR ASP ARG LEU ILE GLU GLU PRO ALA SER
SEQRES 1 F 102 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER GLN ASP
SEQRES 2 F 102 PRO LEU GLU VAL LEU PHE GLN GLY PRO GLU ALA SER MET
SEQRES 3 F 102 ASN LEU LYS PRO GLN THR LEU MET VAL ALA ILE GLN CYS
SEQRES 4 F 102 VAL ALA ALA ARG THR ARG GLU LEU ASP ALA GLN LEU GLN
SEQRES 5 F 102 ASN ASP ASP PRO GLN ASN ALA ALA GLU LEU GLU GLN LEU
SEQRES 6 F 102 LEU VAL GLY TYR ASP LEU ALA ALA ASP ASP LEU LYS ASN
SEQRES 7 F 102 ALA TYR GLU GLN ALA LEU GLY GLN TYR SER GLY LEU PRO
SEQRES 8 F 102 PRO TYR ASP ARG LEU ILE GLU GLU PRO ALA SER
FORMUL 7 HOH *168(H2 O)
HELIX 1 1 ASP A -12 GLY A -4 1 9
HELIX 2 2 LYS A 4 ALA A 24 1 21
HELIX 3 3 ASP A 30 TYR A 62 1 33
HELIX 4 4 PRO A 67 GLU A 73 1 7
HELIX 5 5 ASP B -12 GLN B -5 1 8
HELIX 6 6 LYS B 4 GLN B 27 1 24
HELIX 7 7 ASP B 30 TYR B 62 1 33
HELIX 8 8 ASP C -12 GLY C -4 1 9
HELIX 9 9 LYS C 4 ALA C 24 1 21
HELIX 10 10 GLN C 25 ASN C 28 5 4
HELIX 11 11 GLN C 32 ALA C 58 1 27
HELIX 12 12 PRO C 67 ILE C 72 1 6
HELIX 13 13 ASP D -12 GLY D -4 1 9
HELIX 14 14 LYS D 4 GLN D 25 1 22
HELIX 15 15 ALA D 34 ALA D 58 1 25
HELIX 16 16 PRO D 67 ILE D 72 1 6
HELIX 17 17 LEU E -10 GLY E -4 1 7
HELIX 18 18 LYS E 4 GLN E 27 1 24
HELIX 19 19 ASP E 30 GLY E 60 1 31
HELIX 20 20 PRO E 67 GLU E 73 1 7
HELIX 21 21 LYS F 4 ALA F 24 1 21
HELIX 22 22 ASP F 30 GLY F 60 1 31
HELIX 23 23 TYR F 68 ILE F 72 5 5
SHEET 1 A 2 ALA A -1 LEU A 3 0
SHEET 2 A 2 ALA E -1 LEU E 3 -1 O MET E 1 N MET A 1
SHEET 1 B 2 ALA B -1 LEU B 3 0
SHEET 2 B 2 ALA F -1 LEU F 3 -1 O ALA F -1 N LEU B 3
CISPEP 1 ASN C 28 ASP C 29 0 1.62
CISPEP 2 ASN D 33 ALA D 34 0 2.37
CISPEP 3 PRO E -11 LEU E -10 0 -0.28
CRYST1 91.897 113.265 143.467 90.00 90.00 90.00 I 21 21 21 48
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.010882 0.000000 0.000000 0.00000
SCALE2 0.000000 0.008829 0.000000 0.00000
SCALE3 0.000000 0.000000 0.006970 0.00000
(ATOM LINES ARE NOT SHOWN.)
END
