HEADER UNKNOWN FUNCTION 12-JUN-09 2KJZ
TITLE SOLUTION NMR STRUCTURE OF PROTEIN ATC0852 FROM AGROBACTERIUM
TITLE 2 TUMEFACIENS. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET
TITLE 3 ATT2.
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ATC0852;
COMPND 3 CHAIN: A, B;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS;
SOURCE 3 ORGANISM_TAXID: 176299;
SOURCE 4 STRAIN: C58;
SOURCE 5 GENE: AGR_C_1587, ATU0869;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: C58;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: P15TV LIC
KEYWDS PROTEIN OF UNKNOWN FUNCTION, DIMER, STRUCTURAL GENOMICS, PSI-2,
KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS
KEYWDS 3 CONSORTIUM, NESG, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR A.LEMAK,A.YEE,A.GUTMANAS,C.FARES,M.GARCIA,G.MONTELIONE,C.ARROWSMITH,
AUTHOR 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)
REVDAT 4 26-FEB-20 2KJZ 1 REMARK SEQADV
REVDAT 3 18-JAN-12 2KJZ 1 REMARK
REVDAT 2 13-JUL-11 2KJZ 1 VERSN
REVDAT 1 07-JUL-09 2KJZ 0
JRNL AUTH A.LEMAK,A.YEE,A.GUTMANAS,C.FARES,M.GARCIA,G.MONTELIONE,
JRNL AUTH 2 C.ARROWSMITH
JRNL TITL SOLUTION STRUCTURE OF PROTEIN ATC0852 FROM AGROBACTERIUM
JRNL TITL 2 TUMEFACIENS
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH A.LEMAK,A.GUTMANAS,S.CHITAYAT,M.KARRA,C.FARES,M.SUNNERHAGEN,
REMARK 1 AUTH 2 C.H.ARROWSMITH
REMARK 1 TITL A NOVEL STRATEGY FOR NMR RESONANCE ASSIGNMENT AND PROTEIN
REMARK 1 TITL 2 STRUCTURE DETERMINATION.
REMARK 1 REF J.BIOMOL.NMR V. 49 27 2011
REMARK 1 REFN ISSN 0925-2738
REMARK 1 PMID 21161328
REMARK 1 DOI 10.1007/S10858-010-9458-0
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE, CNSSOLVE
REMARK 3 AUTHORS : DELAGLIO, GRZESIEK, VUISTER, ZHU, PFEIFER AND BAX
REMARK 3 (NMRPIPE), BRUNGER, ADAMS, CLORE, GROS, NILGES AND
REMARK 3 READ (CNSSOLVE)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2KJZ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-JUN-09.
REMARK 100 THE DEPOSITION ID IS D_1000101214.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7
REMARK 210 IONIC STRENGTH : 300
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.5 MM [U-13C; U-15N] ATC0852-1,
REMARK 210 10 MM TRIS-2, 300 MM SODIUM
REMARK 210 CHLORIDE-3, 10 UM ZNSO4-4, 10 MM
REMARK 210 DTT-5, 0.01 % NAN3-6, 10 MM
REMARK 210 BENZAMIDINE-7, 10 % D2O-8, 90%
REMARK 210 H2O/10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D HNCO; 3D HNCA; 3D CBCA(CO)NH;
REMARK 210 3D HBHA(CO)NH; 3D HCCH-TOCSY; 3D
REMARK 210 1H-15N NOESY; 3D 1H-13C NOESY;
REMARK 210 3D 1H-13C_AROM NOESY; 2D 1H-15N
REMARK 210 HSQC (IPAP)
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE; INOVA
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : SPARKY, FMC, TALOS, CYANA
REMARK 210 METHOD USED : RESTRAINED MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
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 APPLY THE FOLLOWING TO CHAINS: A, B
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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 MODELS 1-20
REMARK 465 RES C SSSEQI
REMARK 465 MET A -21
REMARK 465 GLY A -20
REMARK 465 SER A -19
REMARK 465 SER A -18
REMARK 465 HIS A -17
REMARK 465 HIS A -16
REMARK 465 HIS A -15
REMARK 465 HIS A -14
REMARK 465 HIS A -13
REMARK 465 HIS A -12
REMARK 465 SER A -11
REMARK 465 SER A -10
REMARK 465 GLY A -9
REMARK 465 ARG A -8
REMARK 465 GLU A -7
REMARK 465 ASN A -6
REMARK 465 LEU A -5
REMARK 465 TYR A -4
REMARK 465 PHE A -3
REMARK 465 GLN A -2
REMARK 465 GLY A -1
REMARK 465 HIS A 0
REMARK 465 MET B -21
REMARK 465 GLY B -20
REMARK 465 SER B -19
REMARK 465 SER B -18
REMARK 465 HIS B -17
REMARK 465 HIS B -16
REMARK 465 HIS B -15
REMARK 465 HIS B -14
REMARK 465 HIS B -13
REMARK 465 HIS B -12
REMARK 465 SER B -11
REMARK 465 SER B -10
REMARK 465 GLY B -9
REMARK 465 ARG B -8
REMARK 465 GLU B -7
REMARK 465 ASN B -6
REMARK 465 LEU B -5
REMARK 465 TYR B -4
REMARK 465 PHE B -3
REMARK 465 GLN B -2
REMARK 465 GLY B -1
REMARK 465 HIS B 0
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
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
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 1 ASP A 12 -62.18 -96.68
REMARK 500 1 MET A 92 82.46 65.65
REMARK 500 1 GLN A 94 138.79 179.09
REMARK 500 1 SER A 112 87.55 64.60
REMARK 500 1 ASP B 12 -62.56 -96.62
REMARK 500 1 MET B 92 83.59 63.76
REMARK 500 1 GLN B 94 139.48 179.41
REMARK 500 1 SER B 112 87.45 65.22
REMARK 500 2 TYR A 10 104.26 -58.51
REMARK 500 2 ASP A 12 -64.74 -106.00
REMARK 500 2 MET A 92 83.53 60.24
REMARK 500 2 GLN A 94 121.10 177.93
REMARK 500 2 SER A 112 30.04 70.45
REMARK 500 2 TYR B 10 105.23 -58.43
REMARK 500 2 ASP B 12 -65.16 -105.93
REMARK 500 2 MET B 92 83.64 59.64
REMARK 500 2 GLN B 94 119.89 177.20
REMARK 500 2 SER B 112 30.74 70.04
REMARK 500 2 ALA B 121 93.85 -65.41
REMARK 500 3 THR A 62 127.11 -170.87
REMARK 500 3 MET A 92 83.59 69.02
REMARK 500 3 GLN A 94 140.77 -179.67
REMARK 500 3 SER A 112 61.32 71.93
REMARK 500 3 ASP B 12 -60.28 -93.36
REMARK 500 3 MET B 92 83.16 69.83
REMARK 500 3 GLN B 94 141.77 179.66
REMARK 500 3 SER B 112 61.10 71.72
REMARK 500 3 ALA B 121 99.87 -67.91
REMARK 500 4 MET A 92 82.75 61.24
REMARK 500 4 GLN A 94 135.22 179.91
REMARK 500 4 SER A 112 92.78 69.84
REMARK 500 4 MET B 92 83.11 60.86
REMARK 500 4 GLN B 94 134.22 179.71
REMARK 500 4 SER B 112 92.18 70.07
REMARK 500 4 ALA B 121 95.22 -60.79
REMARK 500 5 MET A 92 83.14 65.83
REMARK 500 5 GLN A 94 126.36 179.34
REMARK 500 5 SER A 112 85.86 73.38
REMARK 500 5 MET B 92 83.18 65.82
REMARK 500 5 GLN B 94 126.47 179.62
REMARK 500 5 SER B 112 86.11 73.25
REMARK 500 6 MET A 92 82.99 67.85
REMARK 500 6 GLN A 94 136.98 177.65
REMARK 500 6 SER A 112 33.85 70.14
REMARK 500 6 MET B 92 83.31 67.07
REMARK 500 6 GLN B 94 138.90 178.69
REMARK 500 7 ASP A 12 -63.37 -93.89
REMARK 500 7 MET A 92 82.51 64.23
REMARK 500 7 GLN A 94 133.17 179.57
REMARK 500 7 PRO A 96 106.62 -57.74
REMARK 500
REMARK 500 THIS ENTRY HAS 179 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 10 ARG A 114 0.07 SIDE CHAIN
REMARK 500 10 ARG B 116 0.10 SIDE CHAIN
REMARK 500 12 ARG B 116 0.08 SIDE CHAIN
REMARK 500 14 ARG A 116 0.08 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 16347 RELATED DB: BMRB
REMARK 900 RELATED ID: ATT2 RELATED DB: TARGETDB
DBREF 2KJZ A 1 122 UNP A9CJT2 A9CJT2_AGRT5 1 122
DBREF 2KJZ B 1 122 UNP A9CJT2 A9CJT2_AGRT5 1 122
SEQADV 2KJZ MET A -21 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ GLY A -20 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ SER A -19 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ SER A -18 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ HIS A -17 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ HIS A -16 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ HIS A -15 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ HIS A -14 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ HIS A -13 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ HIS A -12 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ SER A -11 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ SER A -10 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ GLY A -9 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ ARG A -8 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ GLU A -7 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ ASN A -6 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ LEU A -5 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ TYR A -4 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ PHE A -3 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ GLN A -2 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ GLY A -1 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ HIS A 0 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ MET B -21 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ GLY B -20 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ SER B -19 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ SER B -18 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ HIS B -17 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ HIS B -16 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ HIS B -15 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ HIS B -14 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ HIS B -13 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ HIS B -12 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ SER B -11 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ SER B -10 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ GLY B -9 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ ARG B -8 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ GLU B -7 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ ASN B -6 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ LEU B -5 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ TYR B -4 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ PHE B -3 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ GLN B -2 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ GLY B -1 UNP A9CJT2 EXPRESSION TAG
SEQADV 2KJZ HIS B 0 UNP A9CJT2 EXPRESSION TAG
SEQRES 1 A 144 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY
SEQRES 2 A 144 ARG GLU ASN LEU TYR PHE GLN GLY HIS MET THR HIS PRO
SEQRES 3 A 144 ASP PHE THR ILE LEU TYR VAL ASP ASN PRO PRO ALA SER
SEQRES 4 A 144 THR GLN PHE TYR LYS ALA LEU LEU GLY VAL ASP PRO VAL
SEQRES 5 A 144 GLU SER SER PRO THR PHE SER LEU PHE VAL LEU ALA ASN
SEQRES 6 A 144 GLY MET LYS LEU GLY LEU TRP SER ARG HIS THR VAL GLU
SEQRES 7 A 144 PRO LYS ALA SER VAL THR GLY GLY GLY GLY GLU LEU ALA
SEQRES 8 A 144 PHE ARG VAL GLU ASN ASP ALA GLN VAL ASP GLU THR PHE
SEQRES 9 A 144 ALA GLY TRP LYS ALA SER GLY VAL ALA MET LEU GLN GLN
SEQRES 10 A 144 PRO ALA LYS MET GLU PHE GLY TYR THR PHE THR ALA ALA
SEQRES 11 A 144 ASP PRO ASP SER HIS ARG LEU ARG VAL TYR ALA PHE ALA
SEQRES 12 A 144 GLY
SEQRES 1 B 144 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY
SEQRES 2 B 144 ARG GLU ASN LEU TYR PHE GLN GLY HIS MET THR HIS PRO
SEQRES 3 B 144 ASP PHE THR ILE LEU TYR VAL ASP ASN PRO PRO ALA SER
SEQRES 4 B 144 THR GLN PHE TYR LYS ALA LEU LEU GLY VAL ASP PRO VAL
SEQRES 5 B 144 GLU SER SER PRO THR PHE SER LEU PHE VAL LEU ALA ASN
SEQRES 6 B 144 GLY MET LYS LEU GLY LEU TRP SER ARG HIS THR VAL GLU
SEQRES 7 B 144 PRO LYS ALA SER VAL THR GLY GLY GLY GLY GLU LEU ALA
SEQRES 8 B 144 PHE ARG VAL GLU ASN ASP ALA GLN VAL ASP GLU THR PHE
SEQRES 9 B 144 ALA GLY TRP LYS ALA SER GLY VAL ALA MET LEU GLN GLN
SEQRES 10 B 144 PRO ALA LYS MET GLU PHE GLY TYR THR PHE THR ALA ALA
SEQRES 11 B 144 ASP PRO ASP SER HIS ARG LEU ARG VAL TYR ALA PHE ALA
SEQRES 12 B 144 GLY
HELIX 1 1 ASN A 13 GLY A 26 1 14
HELIX 2 2 ASN A 74 SER A 88 1 15
HELIX 3 3 ASN B 13 GLY B 26 1 14
HELIX 4 4 ASN B 74 SER B 88 1 15
SHEET 1 A 8 GLU A 31 SER A 33 0
SHEET 2 A 8 PHE A 36 VAL A 40 -1 O PHE A 36 N SER A 33
SHEET 3 A 8 LYS A 46 SER A 51 -1 O LEU A 47 N PHE A 39
SHEET 4 A 8 PHE A 6 VAL A 11 1 N LEU A 9 O GLY A 48
SHEET 5 A 8 GLU B 67 ARG B 71 -1 O GLU B 67 N ILE A 8
SHEET 6 A 8 ARG B 114 PHE B 120 1 O ARG B 114 N LEU B 68
SHEET 7 A 8 GLY B 102 ALA B 107 -1 N ALA B 107 O LEU B 115
SHEET 8 A 8 ALA B 97 MET B 99 -1 N MET B 99 O GLY B 102
SHEET 1 B 8 ALA A 97 MET A 99 0
SHEET 2 B 8 GLY A 102 ALA A 107 -1 O GLY A 102 N MET A 99
SHEET 3 B 8 ARG A 114 PHE A 120 -1 O LEU A 115 N ALA A 107
SHEET 4 B 8 GLU A 67 ARG A 71 1 N LEU A 68 O ARG A 114
SHEET 5 B 8 PHE B 6 VAL B 11 -1 O ILE B 8 N GLU A 67
SHEET 6 B 8 LYS B 46 SER B 51 1 O GLY B 48 N LEU B 9
SHEET 7 B 8 PHE B 36 VAL B 40 -1 N PHE B 39 O LEU B 47
SHEET 8 B 8 GLU B 31 SER B 33 -1 N SER B 33 O PHE B 36
CISPEP 1 GLU A 56 PRO A 57 1 2.10
CISPEP 2 GLU B 56 PRO B 57 1 3.03
CISPEP 3 GLU A 56 PRO A 57 2 2.66
CISPEP 4 GLU B 56 PRO B 57 2 2.61
CISPEP 5 GLU A 56 PRO A 57 3 2.78
CISPEP 6 GLU B 56 PRO B 57 3 3.71
CISPEP 7 GLU A 56 PRO A 57 4 -1.89
CISPEP 8 GLU B 56 PRO B 57 4 -1.42
CISPEP 9 GLU A 56 PRO A 57 5 1.25
CISPEP 10 GLU B 56 PRO B 57 5 1.18
CISPEP 11 GLU A 56 PRO A 57 6 3.93
CISPEP 12 GLU B 56 PRO B 57 6 3.39
CISPEP 13 GLU A 56 PRO A 57 7 4.96
CISPEP 14 GLU B 56 PRO B 57 7 5.88
CISPEP 15 GLU A 56 PRO A 57 8 5.24
CISPEP 16 GLU B 56 PRO B 57 8 2.67
CISPEP 17 GLU A 56 PRO A 57 9 1.63
CISPEP 18 GLU B 56 PRO B 57 9 1.97
CISPEP 19 GLU A 56 PRO A 57 10 4.70
CISPEP 20 GLU B 56 PRO B 57 10 4.84
CISPEP 21 GLU A 56 PRO A 57 11 -3.02
CISPEP 22 GLU B 56 PRO B 57 11 -2.28
CISPEP 23 GLU A 56 PRO A 57 12 5.09
CISPEP 24 GLU B 56 PRO B 57 12 4.45
CISPEP 25 GLU A 56 PRO A 57 13 -1.78
CISPEP 26 GLU B 56 PRO B 57 13 -4.69
CISPEP 27 GLU A 56 PRO A 57 14 13.34
CISPEP 28 GLU B 56 PRO B 57 14 11.85
CISPEP 29 GLU A 56 PRO A 57 15 2.00
CISPEP 30 GLU B 56 PRO B 57 15 1.83
CISPEP 31 GLU A 56 PRO A 57 16 10.04
CISPEP 32 GLU B 56 PRO B 57 16 8.70
CISPEP 33 GLU A 56 PRO A 57 17 2.48
CISPEP 34 GLU B 56 PRO B 57 17 2.16
CISPEP 35 GLU A 56 PRO A 57 18 -1.49
CISPEP 36 GLU B 56 PRO B 57 18 -1.48
CISPEP 37 GLU A 56 PRO A 57 19 0.33
CISPEP 38 GLU B 56 PRO B 57 19 0.51
CISPEP 39 GLU A 56 PRO A 57 20 -6.24
CISPEP 40 GLU B 56 PRO B 57 20 -4.26
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
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 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
(ATOM LINES ARE NOT SHOWN.)
END
