A0A077Z4D8_TRITR Loading...

Laminin subunit beta-1

Binding to cells via a high affinity receptor, laminin is thought to mediate the attachment, migration and organization of cells into tissues during embryonic development by interacting with other extracellular matrix components. Involved in the organization of the laminar architecture of the cerebral cortex. It is probably required for the integrity of the basement membrane/glia limitans that serves as an anchor point for the endfeet of radial glial cells and as a physical barrier to migrating neurons. Radial glial cells play a central role in cerebral cortical development, where they act both as the proliferative unit of the cerebral cortex and a scaffold for neurons migrating toward the pial surface. As a subunit of laminin-1 (also known as laminin-111 or EHS laminin), it is involved in the stimulation of agrin-induced receptor clustering through a MuSK-independent pathway.

AlphaFold DB , UniProt , Accession A0A077Z4D8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,769 aa.

>A0A077Z4D8_TRITR|A0A077Z4D8
MGHPSSGALAFEWDICKERSCYPATGNLLIGREHRLSATSTCGLDHPDRYCIVSHLEDKKKCFMCDSRRPWARYTSERSHRIENVVSDRFEMRAKRWWQSKNGLQNVSVRLDLEAEFHFTHLIMTFKSFRPAAMLIERSSDFGKTWKTYRYFAYDCADSFPGIFEGLPRRHTDVVCDSRYSFVAPSTGGEVVFKVLSPHIELEDPYSEEIQDLLRVTNLRINFTKLHTLGDNLLDNRPEITEKYYYAIYEMVVRGSCSCYGHARHCIPIKDDSFVSLVGTSPRPDMVHGRCECTHHTKGLNCEECEDFYNDLPWKPAIDRETNACKECNCNGHGTRCHFDHAVFEASGFTSGGVCDDCQHNTMGKNCEACKPYFYRDPNRNISDPYVCRPCECDFRGSLNQGICDSETDLERNLISGKCHCKTNVIGERCDHCKNGFWSLDQDNPDGCIQCSCNLLGTVNNEGCDKHTGECTCKRLVTGDNCDRCLEEHYGLSDEPDGCKPCDCDVGGAYDNVCDSGNGQCRCRSHFTGRRCDHPDSGYFCANLDFLTYEAEEANLQGPSEIELREPYDGDTKRWTGPGFVRVREGSVLNFVVRNIYMAMDFHVVLRYESSLAAAWQGVRVDVIRPNPPDPSGPCANSLPKDDLMQFSLYPGSKLYDSPSTVCLEPNVQYHIRVAFNAYQTGFSDRSASMLIDSLVLLPSLSSIAVFSGPRDDAQYRRREYEHFQCRELAMQLTPIDRLPEPCRRLLCPVAASFVDQGVGCDCDPTGSVSGICNPIGGQCHCKLHVIGQRCEQCASGTFGFGPQGCTACDCNSVGSLDNFCNLKTGQCKCREGVYGRQCDQCQPGFWGFPECRQCQCNGHADICDQKTGACIECRDLAAGHHCELCQDGYYGDPRIGVNIPCRPCPCPGGPGSGFQHADTCYLDHTTEVVICNCRHGYEGERCDRCMMNYWGNPKEVGGSCERCDCNGNIDFEVPNSCDHKSGRCLKCIYNTDGYQCENCMPGFYGDARTQSCKKCVCNILGTDITAGPCDRVSGQCPCLPNVVGLECDTCIANHWKIASGAGCEPCQCDPTGVQTDPDNEQSPRMQCNEFDGHCPCKQGRGGRTCSECENYYWGDPREECLPCQCNPLGSATLQCHRANGSCICVDGSGGPNCDQCARGYTGIWPHCEPCGECFRNWDSILQGLKDEASRLQYDSSNIADTGMSFIYDEEFKKIENKLSDIKKQLAEANVTSDVVDKLKAQSSALDARIENILARLNTVDVRSTSLTASVDTAEEHLETLRDEVAELKANVDELEMNVTRLRETDAQGAYNVTREAAQVSLQAQQRADATEKTIGESETERRRTKELLDANLQDFNEQFKQNQAALDRLEQRAQELDAQIPDLNLFVCGAKTDSCDDLCGGAGCDKCGGPSCREGSVTKSEQAMQFSKEASEKLEEKQRRANMLVDRLRHAQSDSELALLDAKEAYGTAVRVAQVANDTRSILAGLLERANQFLKGEGASPEQIRVLAEQVLGMTISLDKEQIEAMAIDIGNNLRKLTNIQAILAETRGSMSLAQQLKSRADQAKVRIEAVERAAHEVISALNDSKHFQAVAKEAIGSASRNFQVASDDLDQIAETTKRTGETMDLSSQSLNKLREGLKKVEVEYLQIGKDVERALLVSNTSRQKMQETEERRKTLEERYKETETLLEEKIGTSEAARQRAEQLRQMATKLLEKTEKHLSDIEEERRQFDANELRLSSFSKLTADLNVRLDACTKFIDSRVKFYEHCD
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39Very low36.7Very low254 Ų254135.7 Ų135.7100%1.25185%0.85SS**  0124.20-54.6173.5-174.600106.5
2G35.4Very low37.2Very low69 Ų69136.4 Ų136.471%0.71184%0.835SS**  cis169.1119.2-9.800000112.5
3H34.1Very low38.1Very low190 Ų190140.5 Ų140.588%0.8883%0.826SS**  trans74.1151.3159.4-80.3-71.9000120.1
4P41.3Very low39.9Very low99 Ų99135.6 Ų135.664%0.64380%0.795SS**  -146.4-172.2-120.539.3-15.4000117.7
5S34.8Very low41.7Very low100 Ų100131.4 Ų131.470%0.69977%0.766SS**  trans59.8110.7140.464.70000122.3
6S39.4Very low44Very low128 Ų128123.4 Ų123.490%0.89572%0.72SS**  trans153.4125.9130.461.30000107.9
7G31.6Very low45.7Very low84 Ų84125.6 Ų125.687%0.86672%0.719SS**  cis147.286.617.500000106.5
8A38.2Very low47.1Very low102 Ų102126.8 Ų126.884%0.84372%0.717SS**  trans-135.8124.3179.800000108.7
9L39.3Very low48.8Very low179 Ų179126.7 Ų126.794%0.93770%0.704SS**  trans-75.8146.1-175.8-76.4156.7000111.1F11L9-F11 PolarHBondContact O-N 2.65Å
10A33.9Very low50.7Low93 Ų93120.9 Ų120.977%0.76967%0.673SS**  trans-77.8121.5-176.300000112
11F36.7Very low52.4Low195 Ų195115.4 Ų115.486%0.85564%0.642SS**  trans-106.287.6149.9-103.8-91.3000106.8L9 W13L9-F11 PolarHBondContact O-N 2.65Å; F11-W13 PolarHBondContact O-N 2.94Å
12E43.3Very low54.7Low144 Ų144108.6 Ų108.667%0.67360%0.603SS**  trans-78.7105.2173-163.3172173.600107.8D14 R264E12-D14 PolarHBondContact O-N 2.84Å; E12-R264 IonicContact OE1-CZ 3.41Å; E12-R264 IonicContact OE1-NH1 3.88Å; E12-R264 IonicContact OE1-NH2 2.85Å; E12-R264 PolarHBondContact OE1-NH2 2.85Å
13W48.9Very low57.1Low190 Ų190105.9 Ų105.972%0.7257%0.573SS**  trans-60.9130.7-178.9-76.720.4000110.1F11 I15F11-W13 PolarHBondContact O-N 2.94Å; W13-I15 PolarHBondContact O-N 3.3Å
14D63.1Low59.4Low72 Ų72100.6 Ų100.639%0.38556%0.562SS.*  trans-74.494177.9-179.48.1000110E12 C16 K17E12-D14 PolarHBondContact O-N 2.84Å; D14-C16 PolarHBondContact O-N 3.1Å; D14-C16 VanDerWaalsContact O-N 3.08Å; D14-C16 PolarHBondContact OD1-N 2.92Å; D14-K17 HydrophobicContact CB-CD 4.1Å; D14-K17 HydrophobicContact CB-CG 4.04Å; D14-K17 PolarHBondContact O-N 3.09Å; D14-K17 VanDerWaalsContact OD2-CE 3.31Å; D14-K17 WeakPolarHBondContact OD2-CE 3.3Å; D14-K17 WeakPolarHBondContact OD2-CG 3.44Å
15I67.2Low61.6Low72 Ų7299.4 Ų99.437%0.36955%0.554SS.*G310 helixtrans-55.6-26-175.4-70172.5000113W13 K17 R19W13-I15 PolarHBondContact O-N 3.3Å; I15-K17 VanDerWaalsContact C-N 3.31Å; I15-K17 PolarHBondContact O-N 3.4Å; I15-R19 HydrophobicContact CG2-CG 4.34Å; I15-R19 VanDerWaalsContact O-CG 3.3Å; I15-R19 WeakPolarHBondContact O-CG 3.49Å
16C78.5Confident64Low3 Ų395.6 Ų95.62%0.0253%0.53CS..G310 helixtrans-67.9-28.7177.8-64.90000112.4D14 E18 R19 C21 T294 H295D14-C16 PolarHBondContact O-N 3.1Å; D14-C16 VanDerWaalsContact O-N 3.08Å; D14-C16 PolarHBondContact OD1-N 2.92Å; C16-E18 PolarHBondContact O-N 3.02Å; C16-E18 VanDerWaalsContact O-N 3.11Å; C16-R19 PolarHBondContact O-N 2.69Å; C16-C21 HydrophobicContact CB-CB 3.97Å; C16-C21 WeakPolarHBondContact CB-SG 3.35Å; C16-C21 WeakPolarHBondContact SG-CB 3.32Å; C16-C21 CovalentContact SG-SG 2.04Å; C16-C21 PolarHBondContact SG-SG 3.01Å; C16-T294 HydrophobicContact CB-CG2 4.38Å; C16-H295 WeakPolarHBondContact CA-NE2 3.45Å; C16-H295 CovalentContact O-NE2 1.75Å; C16-H295 PolarHBondContact O-NE2 3.06Å
17K72.7Confident66.4Low161 Ų16190.3 Ų90.370%0.749%0.492SS*.G310 helixtrans-62.2-26-170.3-69.5-171.4176.6-170.60115.3D14 I15D14-K17 HydrophobicContact CB-CD 4.1Å; D14-K17 HydrophobicContact CB-CG 4.04Å; D14-K17 PolarHBondContact O-N 3.09Å; D14-K17 VanDerWaalsContact OD2-CE 3.31Å; D14-K17 WeakPolarHBondContact OD2-CE 3.3Å; D14-K17 WeakPolarHBondContact OD2-CG 3.44Å; I15-K17 VanDerWaalsContact C-N 3.31Å; I15-K17 PolarHBondContact O-N 3.4Å
18E69.9Low69.3Low148 Ų14886.3 Ų86.369%0.69245%0.45SS*.G310 helixtrans-115.5-7.1-173.9-63.5-179.8177.700113.9C16C16-E18 PolarHBondContact O-N 3.02Å; C16-E18 VanDerWaalsContact O-N 3.11Å
19R80.8Confident71.8Confident124 Ų12481.5 Ų81.547%0.46841%0.41SS..SBendtrans-166.6169.5-170.861.8173.6-173.7-147.3-6.8113.2I15 C16 H295 D319I15-R19 HydrophobicContact CG2-CG 4.34Å; I15-R19 VanDerWaalsContact O-CG 3.3Å; I15-R19 WeakPolarHBondContact O-CG 3.49Å; C16-R19 PolarHBondContact O-N 2.69Å; R19-H295 VanDerWaalsContact C-CE1 3.49Å; R19-H295 PolarHBondContact O-CE1 3.44Å; R19-H295 PolarHBondContact O-NE2 3.37Å; R19-D319 VanDerWaalsContact CB-O 3.3Å; R19-D319 WeakPolarHBondContact CB-O 3.42Å
20S85.4Confident74.1Confident11 Ų1174.2 Ų74.28%0.07737%0.372CS..  trans-55.3139.4169.262.10000112.2Y22 H295 A317 D319S20-Y22 WeakPolarHBondContact OG-CE2 3.34Å; S20-H295 VanDerWaalsContact CA-CE1 3.44Å; S20-H295 WeakPolarHBondContact CA-CE1 3.46Å; S20-A317 WeakPolarHBondContact CB-O 3.49Å; S20-D319 WeakPolarHBondContact CB-O 3.31Å; S20-D319 PolarHBondContact N-O 2.71Å; S20-D319 WeakPolarHBondContact OG-CA 3.48Å; S20-D319 PolarHBondContact OG-N 2.88Å; S20-D319 PolarHBondContact OG-O 3.18Å
21C87Confident76.4Confident5 Ų570.6 Ų70.63%0.03434%0.344CS..BIsolated β-bridgetrans-135.5139.8-178.863.70000111.5C16 G261 A263 R264C16-C21 HydrophobicContact CB-CB 3.97Å; C16-C21 WeakPolarHBondContact CB-SG 3.35Å; C16-C21 WeakPolarHBondContact SG-CB 3.32Å; C16-C21 CovalentContact SG-SG 2.04Å; C16-C21 PolarHBondContact SG-SG 3.01Å; C21-G261 PolarHBondContact N-O 2.63Å; C21-G261 CarbonylContact O-C 3.57Å; C21-G261 VanDerWaalsContact O-CA 3.24Å; C21-G261 WeakPolarHBondContact O-CA 3.49Å; C21-G261 VanDerWaalsContact O-O 3.07Å; C21-A263 CarbonylContact C-O 3.54Å; C21-A263 CarbonylContact O-C 3.43Å; C21-A263 PolarHBondContact O-N 3.29Å; C21-A263 VanDerWaalsContact O-O 3.11Å; C21-R264 HydrophobicContact CB-CB 4.32Å
22Y86.9Confident78.8Confident111 Ų11161.4 Ų61.444%0.43530%0.303SS..  trans-130.9143.6-167.4-60.5-97.4000111.2S20 Y206 A263 A317S20-Y22 WeakPolarHBondContact OG-CE2 3.34Å; Y22-Y206 WeakPolarHBondContact CE1-OH 3.44Å; Y22-Y206 PolarHBondContact OH-OH 2.87Å; Y22-A263 CarbonylContact C-O 3.48Å; Y22-A263 WeakPolarHBondContact CA-O 3.13Å; Y22-A317 PolarHBondContact OH-O 3.18Å
23P86.9Confident80.9Confident12 Ų1256.8 Ų56.88%0.07828%0.282CS..PPolyproline II helixtrans-65.4150.9173.1-20.634000112.8C257 C259 A263 R264P23-C257 HydrophobicContact CB-CB 4.01Å; P23-C257 HydrophobicContact CG-CB 3.95Å; P23-C259 HydrophobicContact CG-CB 4.16Å; P23-C259 WeakPolarHBondContact CG-SG 3.49Å; P23-A263 VanDerWaalsContact CD-O 3.22Å; P23-A263 WeakPolarHBondContact CD-O 3.18Å; P23-R264 WeakPolarHBondContact CA-O 3.49Å
24A82.5Confident82.6Confident79 Ų7951.6 Ų51.665%0.65327%0.266SS*.PPolyproline II helixtrans-61.9137.8177.200000112.4
25T85.8Confident83.8Confident75 Ų7551 Ų5146%0.4626%0.258SS..PPolyproline II helixtrans-76.6137.5173.769.20000111.7G255T25-G255 CarbonylContact C-O 3.47Å; T25-G255 WeakPolarHBondContact CA-O 3.48Å
26G86.7Confident85Confident19 Ų1948 Ų4820%0.19624%0.243CC..EExtended strand (participates in β ladder)trans-147.8-169.5179.200000112.9R254 G255G26-R254 WeakPolarHBondContact O-CA 3.24Å; G26-R254 WeakPolarHBondContact O-CG 3.45Å; G26-G255 PolarHBondContact N-O 3.23Å; G26-G255 PolarHBondContact O-N 3.42Å
27N89.5Confident85.7Confident18 Ų1850.2 Ų50.210%0.09626%0.258CS..EExtended strand (participates in β ladder)trans-94.3110.4174.6-177.410.7000109.2L29 I30 V252 V253N27-L29 PolarHBondContact O-N 3.13Å; N27-L29 PolarHBondContact OD1-N 2.93Å; N27-I30 HydrophobicContact CB-CD1 3.97Å; N27-I30 HydrophobicContact CB-CG1 4.08Å; N27-I30 PolarHBondContact O-N 3.01Å; N27-V252 HydrophobicContact CB-CG1 4.24Å; N27-V253 CarbonylContact C-O 3.44Å; N27-V253 WeakPolarHBondContact CA-O 3.49Å; N27-V253 PolarHBondContact OD1-N 2.93Å; N27-V253 PolarHBondContact OD1-O 3.34Å
28L91.6Very high86.7Confident0 Ų043.9 Ų43.90%024%0.236CC..THydrogen-bonded Turntrans-62-17.9-175.9-56.6-174.1000113I30 R32 L113 F117 V253 V287L28-I30 VanDerWaalsContact C-N 3.34Å; L28-R32 VanDerWaalsContact O-CD 3.26Å; L28-R32 WeakPolarHBondContact O-CD 3.26Å; L28-R32 PolarHBondContact O-NH1 3.44Å; L28-L113 HydrophobicContact CB-CD2 4.34Å; L28-L113 HydrophobicContact CD1-CD1 4.09Å; L28-F117 HydrophobicContact CD1-CB 3.78Å; L28-F117 HydrophobicContact CD1-CD1 4.2Å; L28-F117 HydrophobicContact CD1-CG 4.07Å; L28-F117 HydrophobicContact CD2-CD1 3.55Å; L28-F117 HydrophobicContact CD2-CE1 4.02Å; L28-F117 HydrophobicContact CD2-CG 4.26Å; L28-V253 HydrophobicContact CB-CB 4.43Å; L28-V253 HydrophobicContact CB-CG1 4.13Å; L28-V253 HydrophobicContact CD1-CG1 4.14Å; L28-V253 HydrophobicContact CG-CG1 4.35Å; L28-V253 PolarHBondContact N-O 3.29Å; L28-V287 HydrophobicContact CD2-CB 3.9Å; L28-V287 HydrophobicContact CD2-CG1 4Å; L28-V287 HydrophobicContact CD2-CG2 4.17Å
29L90.5Very high87.9Confident0 Ų041.6 Ų41.60%023%0.232CC..THydrogen-bonded Turntrans-71.2-22.9175-70.5169.2000114.4N27 G31 R32 L36 V86 L111 M251 V253N27-L29 PolarHBondContact O-N 3.13Å; N27-L29 PolarHBondContact OD1-N 2.93Å; L29-G31 PolarHBondContact O-N 3.41Å; L29-R32 PolarHBondContact O-N 3.48Å; L29-R32 VanDerWaalsContact O-N 3.08Å; L29-L36 HydrophobicContact CD2-CD1 3.81Å; L29-L36 HydrophobicContact CD2-CD2 4.1Å; L29-L36 HydrophobicContact CD2-CG 4.41Å; L29-V86 HydrophobicContact CB-CG1 4.1Å; L29-V86 HydrophobicContact CB-CG2 3.9Å; L29-V86 HydrophobicContact CD1-CG2 4.5Å; L29-L111 HydrophobicContact CD2-CD1 3.88Å; L29-L111 HydrophobicContact CD2-CD2 3.71Å; L29-L111 HydrophobicContact CD2-CG 4.29Å; L29-L111 HydrophobicContact CG-CD2 4.31Å; L29-M251 HydrophobicContact CD1-CB 3.85Å; L29-M251 HydrophobicContact CD1-CG 3.81Å; L29-M251 WeakPolarHBondContact CD1-O 3.47Å; L29-M251 HydrophobicContact CD1-SD 4.21Å; L29-V253 HydrophobicContact CD1-CB 4.37Å; L29-V253 HydrophobicContact CD1-CG2 3.83Å; L29-V253 HydrophobicContact CD2-CG2 4.36Å; L29-V253 HydrophobicContact CG-CB 4.16Å; L29-V253 HydrophobicContact CG-CG2 3.88Å
30I87.5Confident88.5Confident27 Ų2736 Ų3614%0.13821%0.212CC..THydrogen-bonded Turntrans-69.4122.8-178.9-63.5176.1000109N27 L28 R32 V86 D285 M286N27-I30 HydrophobicContact CB-CD1 3.97Å; N27-I30 HydrophobicContact CB-CG1 4.08Å; N27-I30 PolarHBondContact O-N 3.01Å; L28-I30 VanDerWaalsContact C-N 3.34Å; I30-R32 VanDerWaalsContact C-N 3.25Å; I30-R32 PolarHBondContact O-N 2.92Å; I30-V86 HydrophobicContact CG1-CG1 4.4Å; I30-D285 HydrophobicContact CG2-CB 4.39Å; I30-M286 WeakPolarHBondContact O-CG 3.05Å
31G82.3Confident89Confident17 Ų1736 Ų3618%0.17521%0.211CC..THydrogen-bonded Turntrans86.1-10.1-174.800000113.8L29 E33 H34L29-G31 PolarHBondContact O-N 3.41Å; G31-E33 WeakPolarHBondContact CA-OE2 3.5Å; G31-E33 PolarHBondContact N-OE2 3.28Å; G31-H34 PolarHBondContact O-CE1 3.36Å; G31-H34 PolarHBondContact O-ND1 3.02Å
32R88.1Confident89.3Confident1 Ų135.7 Ų35.70%0.00421%0.21CC..  trans-111.420.2-178.9-60-171.4-174.271.78.8113L28 L29 I30 H34 R35 L36 L111 E114 M286 V287L28-R32 VanDerWaalsContact O-CD 3.26Å; L28-R32 WeakPolarHBondContact O-CD 3.26Å; L28-R32 PolarHBondContact O-NH1 3.44Å; L29-R32 PolarHBondContact O-N 3.48Å; L29-R32 VanDerWaalsContact O-N 3.08Å; I30-R32 VanDerWaalsContact C-N 3.25Å; I30-R32 PolarHBondContact O-N 2.92Å; R32-H34 PolarHBondContact O-N 3.48Å; R32-H34 VanDerWaalsContact O-N 3.12Å; R32-R35 HydrophobicContact CB-CB 4.38Å; R32-R35 PolarHBondContact O-N 3.37Å; R32-L36 PolarHBondContact O-N 3.43Å; R32-L111 HydrophobicContact CB-CD1 4.21Å; R32-E114 IonicContact CZ-OE1 3.86Å; R32-E114 IonicContact CZ-OE2 3.28Å; R32-E114 IonicContact NE-OE1 3.45Å; R32-E114 IonicContact NE-OE2 2.71Å; R32-E114 PolarHBondContact NE-OE2 3.45Å; R32-E114 VanDerWaalsContact NH2-CD 3.35Å; R32-E114 IonicContact NH2-OE1 3.94Å; R32-E114 PolarHBondContact NH2-OE1 2.8Å; R32-E114 IonicContact NH2-OE2 3.08Å; R32-E114 PolarHBondContact NH2-OE2 3.22Å; R32-M286 HydrophobicContact CG-CE 4.39Å; R32-V287 PolarHBondContact NH1-O 3.03Å; R32-V287 VanDerWaalsContact NH1-O 3.14Å; R32-V287 PolarHBondContact NH2-O 3.41Å
33E86.1Confident89.6Confident47 Ų4730.4 Ų30.422%0.2219%0.189CC..G310 helixtrans-53.8-33.7176-63.195.2142.500112.3G31 E83 V86 R283G31-E33 WeakPolarHBondContact CA-OE2 3.5Å; G31-E33 PolarHBondContact N-OE2 3.28Å; E33-E83 HydrophobicContact CB-CB 4.23Å; E33-V86 HydrophobicContact CG-CB 3.97Å; E33-V86 HydrophobicContact CG-CG1 4.13Å; E33-V86 HydrophobicContact CG-CG2 3.95Å; E33-R283 IonicContact OE1-CZ 3.6Å; E33-R283 IonicContact OE1-NH1 3.32Å; E33-R283 PolarHBondContact OE1-NH1 3.02Å; E33-R283 IonicContact OE1-NH2 2.7Å; E33-R283 PolarHBondContact OE1-NH2 2.73Å; E33-R283 IonicContact OE2-NH1 3.3Å
34H85Confident89.8Confident82 Ų8233.4 Ų33.438%0.3820%0.204SC..G310 helixtrans-77.3-17.117869.1-84.3000114.2G31 R32 F274G31-H34 PolarHBondContact O-CE1 3.36Å; G31-H34 PolarHBondContact O-ND1 3.02Å; R32-H34 PolarHBondContact O-N 3.48Å; R32-H34 VanDerWaalsContact O-N 3.12Å; H34-F274 HydrophobicContact CB-CE1 4.22Å; H34-F274 HydrophobicContact CB-CE2 4.41Å; H34-F274 HydrophobicContact CB-CZ 3.97Å; H34-F274 AromaticContact CD2-CD1 4Å; H34-F274 AromaticContact CD2-CG 3.94Å; H34-F274 AromaticContact CE1-CD1 3.6Å; H34-F274 AromaticContact CG-CD1 4Å; H34-F274 AromaticContact CG-CE1 3.77Å; H34-F274 AromaticContact CG-CZ 3.93Å; H34-F274 AromaticContact ND1-CD1 3.75Å; H34-F274 AromaticContact ND1-CE1 3.65Å; H34-F274 AromaticContact NE2-CD1 3.78Å; H34-F274 AromaticContact NE2-CG 3.8Å
35R89.1Confident90Very high58 Ų5834.9 Ų34.922%0.21920%0.201CC..G310 helixtrans-99.23176.2-51.8-167.9171.9-137.62.1113.1R32 D112 D272R32-R35 HydrophobicContact CB-CB 4.38Å; R32-R35 PolarHBondContact O-N 3.37Å; R35-D112 VanDerWaalsContact CB-O 3.23Å; R35-D112 WeakPolarHBondContact CB-O 3.47Å; R35-D112 WeakPolarHBondContact CD-O 3.45Å; R35-D112 PolarHBondContact O-N 2.93Å; R35-D272 IonicContact CZ-OD2 3.26Å; R35-D272 IonicContact NH2-OD1 3.24Å; R35-D272 PolarHBondContact NH2-OD1 3.13Å; R35-D272 IonicContact NH2-OD2 2.64Å; R35-D272 PolarHBondContact NH2-OD2 3.09Å
36L91.6Very high90.2Very high10 Ų1036.9 Ų36.95%0.05221%0.205CC..EExtended strand (participates in β ladder)trans-94.9124.3174-168.969.3000109.4L29 R32 I82 V85 V86 V109 L111L29-L36 HydrophobicContact CD2-CD1 3.81Å; L29-L36 HydrophobicContact CD2-CD2 4.1Å; L29-L36 HydrophobicContact CD2-CG 4.41Å; R32-L36 PolarHBondContact O-N 3.43Å; L36-I82 HydrophobicContact CD2-CD1 4.27Å; L36-I82 HydrophobicContact CD2-CG1 3.73Å; L36-I82 HydrophobicContact CG-CG1 3.74Å; L36-I82 WeakPolarHBondContact O-CG2 3.37Å; L36-V85 HydrophobicContact CD2-CG2 3.5Å; L36-V85 VanDerWaalsContact CD2-CG2 3.5Å; L36-V86 HydrophobicContact CD2-CG2 4.36Å; L36-V109 HydrophobicContact CD1-CG1 3.87Å; L36-V109 HydrophobicContact CG-CG1 4.4Å; L36-L111 HydrophobicContact CD1-CB 3.96Å; L36-L111 HydrophobicContact CD1-CD1 4.37Å
37S94.3Very high90.4Very high50 Ų5038.5 Ų38.535%0.3521%0.212SC..EExtended strand (participates in β ladder)trans-128151.2-177.463.10000111.7V109 R110S37-V109 CarbonylContact O-C 3.58Å; S37-V109 VanDerWaalsContact O-CA 3.29Å; S37-V109 WeakPolarHBondContact O-CA 3.49Å; S37-R110 PolarHBondContact N-O 3.43Å; S37-R110 PolarHBondContact O-N 3.13Å; S37-R110 PolarHBondContact OG-O 3.26Å
38A94.3Very high90.4Very high27 Ų2738.8 Ų38.822%0.22321%0.213CC..EExtended strand (participates in β ladder)trans-136.4136.9174.900000110.8S40 I82 W98 S108 V109A38-S40 PolarHBondContact O-N 3.41Å; A38-I82 HydrophobicContact CB-CB 3.93Å; A38-I82 HydrophobicContact CB-CD1 3.92Å; A38-I82 HydrophobicContact CB-CG1 3.85Å; A38-W98 HydrophobicContact CB-CZ2 4.02Å; A38-S108 VanDerWaalsContact CA-O 3.31Å; A38-S108 WeakPolarHBondContact CA-O 3.49Å; A38-V109 HydrophobicContact CB-CG2 4.19Å
39T94.6Very high90.3Very high100 Ų10044.8 Ų44.861%0.61324%0.236SC*.SBendtrans-74.5-10.1-17846.70000114.2S108T39-S108 WeakPolarHBondContact CG2-OG 3.46Å; T39-S108 PolarHBondContact N-O 3.48Å; T39-S108 PolarHBondContact OG1-N 3Å; T39-S108 PolarHBondContact OG1-O 3.16Å; T39-S108 PolarHBondContact OG1-OG 2.99Å
40S93.7Very high90.3Very high8 Ų845.3 Ų45.36%0.05624%0.238CC..  trans-145.8138.6175.5-174.40000111.3A38 W98 K101 L104A38-S40 PolarHBondContact O-N 3.41Å; S40-W98 VanDerWaalsContact O-CZ2 3.28Å; S40-W98 WeakPolarHBondContact O-CZ2 3.47Å; S40-W98 PolarHBondContact O-NE1 3.46Å; S40-W98 VanDerWaalsContact O-NE1 3.1Å; S40-K101 WeakPolarHBondContact OG-CB 3.5Å; S40-K101 PolarHBondContact OG-N 3.28Å; S40-L104 WeakPolarHBondContact OG-CD2 3.37Å
41T95.1Very high90.3Very high9 Ų944.8 Ų44.86%0.05524%0.236CC..  trans-150.5133.7174.8-65.10000108.4L44 H80 W98 Q99 K101T41-L44 HydrophobicContact CG2-CD1 4.29Å; T41-L44 HydrophobicContact CG2-CD2 4.18Å; T41-L44 HydrophobicContact CG2-CG 3.94Å; T41-H80 WeakPolarHBondContact CG2-O 3.23Å; T41-W98 PolarHBondContact OG1-NE1 2.96Å; T41-W98 VanDerWaalsContact OG1-NE1 3.16Å; T41-Q99 CarbonylContact C-O 3.55Å; T41-Q99 VanDerWaalsContact CA-O 3.28Å; T41-Q99 WeakPolarHBondContact CA-O 3.39Å; T41-K101 WeakPolarHBondContact O-CG 3.45Å
42C94Very high90.4Very high0 Ų045.4 Ų45.40%024%0.235CC..THydrogen-bonded Turntrans-68151.2175.664.80000111.3L44 D48 C65 S67 Q99C42-L44 VanDerWaalsContact C-N 3.31Å; C42-L44 PolarHBondContact O-N 3.3Å; C42-D48 WeakPolarHBondContact CA-OD2 3.49Å; C42-D48 HydrophobicContact CB-CB 4.27Å; C42-C65 HydrophobicContact CB-CB 3.84Å; C42-C65 WeakPolarHBondContact CB-SG 3.49Å; C42-C65 PolarHBondContact O-SG 3.49Å; C42-C65 WeakPolarHBondContact SG-CB 3.3Å; C42-C65 CovalentContact SG-SG 2.04Å; C42-C65 PolarHBondContact SG-SG 3.06Å; C42-S67 WeakPolarHBondContact O-CB 3.39Å; C42-S67 PolarHBondContact O-OG 3.02Å; C42-Q99 PolarHBondContact N-O 3.44Å
43G92.3Very high89.7Confident0 Ų046.7 Ų46.70%024%0.243CC..THydrogen-bonded Turntrans74.211.816700000115.8H46 D48 S67 R68G43-H46 VanDerWaalsContact CA-O 3.28Å; G43-H46 WeakPolarHBondContact CA-O 3.47Å; G43-D48 PolarHBondContact N-OD2 3.5Å; G43-S67 CarbonylContact O-C 3.5Å; G43-S67 WeakPolarHBondContact O-CA 3.32Å; G43-S67 PolarHBondContact O-N 2.9Å; G43-R68 PolarHBondContact O-N 3.43Å
44L90.9Very high88.7Confident75 Ų7547 Ų4739%0.39325%0.251SS..SBendtrans-73.4-41.3-179.6-75.9-178.2000113.2T41 C42 R68T41-L44 HydrophobicContact CG2-CD1 4.29Å; T41-L44 HydrophobicContact CG2-CD2 4.18Å; T41-L44 HydrophobicContact CG2-CG 3.94Å; C42-L44 VanDerWaalsContact C-N 3.31Å; C42-L44 PolarHBondContact O-N 3.3Å; L44-R68 WeakPolarHBondContact O-CG 3.31Å
45D88Confident87.5Confident110 Ų11046.7 Ų46.759%0.58825%0.249SC*.SBendtrans-90.9-50.4-176.5-48.6-65.6000110.8K101D45-K101 IonicContact OD2-NZ 3.8Å; D45-K101 PolarHBondContact OD2-NZ 3.48Å
46H89.7Confident85.8Confident117 Ų11748 Ų4854%0.54226%0.261SS..SBendtrans-144.1158.3177.35626.9000109.7G43 D48G43-H46 VanDerWaalsContact CA-O 3.28Å; G43-H46 WeakPolarHBondContact CA-O 3.47Å; H46-D48 IonicContact CE1-OD1 3.81Å; H46-D48 PolarHBondContact CE1-OD1 2.85Å; H46-D48 IonicContact ND1-OD1 2.78Å; H46-D48 PolarHBondContact ND1-OD1 3.24Å; H46-D48 PolarHBondContact O-N 2.87Å
47P90.3Very high84Confident53 Ų5357.3 Ų57.334%0.34430%0.303SS..PPolyproline II helixtrans-62120.7178.7-24.435.6000112.8M64 C65 D66P47-M64 HydrophobicContact CB-CE 3.75Å; P47-M64 VanDerWaalsContact O-CE 3.3Å; P47-M64 WeakPolarHBondContact O-CE 3.27Å; P47-C65 CarbonylContact C-O 3.52Å; P47-C65 WeakPolarHBondContact CA-O 3.49Å; P47-D66 HydrophobicContact CB-CB 4.3Å; P47-D66 HydrophobicContact CG-CB 4.32Å
48D89.4Confident81.8Confident24 Ų2459.6 Ų59.613%0.12831%0.312CS..EExtended strand (participates in β ladder)trans-93.7142.4179.4-67.8-29.7000110.5C42 G43 H46 M64 C65C42-D48 WeakPolarHBondContact CA-OD2 3.49Å; C42-D48 HydrophobicContact CB-CB 4.27Å; G43-D48 PolarHBondContact N-OD2 3.5Å; H46-D48 IonicContact CE1-OD1 3.81Å; H46-D48 PolarHBondContact CE1-OD1 2.85Å; H46-D48 IonicContact ND1-OD1 2.78Å; H46-D48 PolarHBondContact ND1-OD1 3.24Å; H46-D48 PolarHBondContact O-N 2.87Å; D48-M64 CarbonylContact O-C 3.54Å; D48-M64 WeakPolarHBondContact O-CA 3.46Å; D48-C65 PolarHBondContact N-O 3.24Å; D48-C65 PolarHBondContact O-N 2.88Å
49R90.5Very high79.9Confident126 Ų12667.9 Ų67.948%0.47534%0.343SS..EExtended strand (participates in β ladder)trans-91.4138.9174.6-175.7175.3139.5173.4-13110.5F63 M64 N102 E242R49-F63 WeakPolarHBondContact CA-O 3.37Å; R49-M64 HydrophobicContact CB-CE 4.26Å; R49-M64 HydrophobicContact CB-SD 3.74Å; R49-M64 HydrophobicContact CG-SD 4.04Å; R49-N102 PolarHBondContact O-ND2 3.33Å; R49-E242 VanDerWaalsContact CD-OE1 3.28Å; R49-E242 WeakPolarHBondContact CD-OE1 3.49Å; R49-E242 IonicContact CZ-OE1 2.72Å; R49-E242 IonicContact CZ-OE2 2.76Å; R49-E242 VanDerWaalsContact CZ-OE2 3.23Å; R49-E242 VanDerWaalsContact NE-CD 3.26Å; R49-E242 IonicContact NE-OE1 3.5Å; R49-E242 PolarHBondContact NE-OE1 3.36Å; R49-E242 IonicContact NE-OE2 3.84Å; R49-E242 PolarHBondContact NE-OE2 2.95Å; R49-E242 IonicContact NH2-OE1 3.74Å; R49-E242 IonicContact NH2-OE2 3.32Å; R49-E242 PolarHBondContact NH2-OE2 3.5Å
50Y90.5Very high78.1Confident11 Ų1169.1 Ų69.14%0.04334%0.34CS..EExtended strand (participates in β ladder)trans-143.3158.2177.373.4-87.8000111.8I52 C62 F63 C65 H80 W97 Q99 Y245Y50-I52 HydrophobicContact CD2-CG1 4.47Å; Y50-I52 HydrophobicContact CE2-CD1 4.34Å; Y50-I52 HydrophobicContact CE2-CG1 4.09Å; Y50-C62 CarbonylContact O-C 3.44Å; Y50-C62 WeakPolarHBondContact O-CA 3.29Å; Y50-C62 WeakPolarHBondContact O-CB 3.32Å; Y50-F63 HydrophobicContact CD1-CB 4.37Å; Y50-F63 HydrophobicContact CE1-CB 3.69Å; Y50-F63 HydrophobicContact CE2-CB 4.1Å; Y50-F63 HydrophobicContact CE2-CD2 4.06Å; Y50-F63 HydrophobicContact CE2-CG 4.47Å; Y50-F63 PolarHBondContact N-O 3.33Å; Y50-F63 PolarHBondContact O-N 2.67Å; Y50-F63 WeakPolarHBondContact OH-CB 3.45Å; Y50-C65 HydrophobicContact CD1-CB 3.87Å; Y50-C65 HydrophobicContact CE1-CB 3.98Å; Y50-H80 AromaticContact CE1-NE2 3.91Å; Y50-W97 WeakPolarHBondContact OH-CZ2 3.25Å; Y50-Q99 VanDerWaalsContact CG-NE2 3.26Å; Y50-Y245 HydrophobicContact CD2-CE1 4.07Å; Y50-Y245 AromaticContact CD2-CZ 3.86Å; Y50-Y245 HydrophobicContact CG-CE1 4.46Å
51C86.9Confident76.9Confident15 Ų1572.6 Ų72.610%0.10135%0.354CS..EExtended strand (participates in β ladder)trans-130141.9-176.5-57.50000111.8C62 E242 Y245C51-C62 HydrophobicContact CB-CB 4.04Å; C51-C62 WeakPolarHBondContact CB-SG 3.26Å; C51-C62 WeakPolarHBondContact SG-CB 3.45Å; C51-C62 CovalentContact SG-SG 2.04Å; C51-C62 PolarHBondContact SG-SG 2.79Å; C51-E242 PolarHBondContact N-O 3.15Å; C51-E242 PolarHBondContact SG-OE2 3.13Å; C51-Y245 PolarHBondContact O-OH 3.45Å
52I83.5Confident76.4Confident30 Ų3074 Ų7415%0.15436%0.364CS..  trans-98.9119.6-177.6-59.6-179.4000110.8Y50 S54 H55 K61 F63Y50-I52 HydrophobicContact CD2-CG1 4.47Å; Y50-I52 HydrophobicContact CE2-CD1 4.34Å; Y50-I52 HydrophobicContact CE2-CG1 4.09Å; I52-S54 VanDerWaalsContact CG2-OG 3.31Å; I52-S54 WeakPolarHBondContact CG2-OG 3.49Å; I52-S54 PolarHBondContact O-N 3.35Å; I52-H55 PolarHBondContact O-N 3.04Å; I52-K61 PolarHBondContact N-O 3.46Å; I52-F63 HydrophobicContact CD1-CD2 4.07Å; I52-F63 HydrophobicContact CD1-CE2 3.66Å; I52-F63 HydrophobicContact CG1-CD2 4.24Å; I52-F63 HydrophobicContact CG1-CE2 4.04Å
53V73.3Confident76.2Confident28 Ų2878 Ų7817%0.1738%0.381CS..G310 helixtrans-67-34.2-175.1-177.10000113.1H55 L56 F129 L229 K243V53-H55 PolarHBondContact O-N 2.99Å; V53-L56 HydrophobicContact CB-CD1 4.34Å; V53-L56 HydrophobicContact CG1-CD1 3.75Å; V53-L56 WeakPolarHBondContact O-CB 3.12Å; V53-L56 WeakPolarHBondContact O-CD1 3.29Å; V53-L56 WeakPolarHBondContact O-CG 3.25Å; V53-L56 PolarHBondContact O-N 3.35Å; V53-F129 HydrophobicContact CB-CE2 4.05Å; V53-F129 HydrophobicContact CB-CZ 4.19Å; V53-F129 HydrophobicContact CG1-CE2 4.04Å; V53-F129 HydrophobicContact CG1-CZ 3.9Å; V53-F129 HydrophobicContact CG2-CE2 4.14Å; V53-L229 HydrophobicContact CG1-CD1 3.78Å; V53-K243 HydrophobicContact CG2-CB 3.98Å; V53-K243 HydrophobicContact CG2-CG 4.5Å
54S65.3Low76.2Confident55 Ų5581.1 Ų81.139%0.38540%0.396SS..G310 helixtrans-70.5-7.3177.654.50000114.6I52I52-S54 VanDerWaalsContact CG2-OG 3.31Å; I52-S54 WeakPolarHBondContact CG2-OG 3.49Å; I52-S54 PolarHBondContact O-N 3.35Å
55H61.1Low76.3Confident74 Ų7477.5 Ų77.534%0.34338%0.378SS..G310 helixtrans-97.610.4174.2-74.3-42000113.8I52 V53 E57 D58 K61I52-H55 PolarHBondContact O-N 3.04Å; V53-H55 PolarHBondContact O-N 2.99Å; H55-E57 VanDerWaalsContact C-N 3.28Å; H55-E57 PolarHBondContact O-N 3.24Å; H55-D58 PolarHBondContact O-N 2.96Å; H55-D58 VanDerWaalsContact O-N 3.13Å; H55-K61 HydrophobicContact CB-CB 4.08Å; H55-K61 HydrophobicContact CB-CD 4.14Å; H55-K61 HydrophobicContact CB-CG 4.45Å
56L53.1Low76.5Confident87 Ų8774.4 Ų74.446%0.45536%0.361SS..THydrogen-bonded Turntrans-73.6-7.1-174-71.9173.5000115.8V53 D58 K60V53-L56 HydrophobicContact CB-CD1 4.34Å; V53-L56 HydrophobicContact CG1-CD1 3.75Å; V53-L56 WeakPolarHBondContact O-CB 3.12Å; V53-L56 WeakPolarHBondContact O-CD1 3.29Å; V53-L56 WeakPolarHBondContact O-CG 3.25Å; V53-L56 PolarHBondContact O-N 3.35Å; L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 CarbonylContact C-O 3.58Å; L56-K60 HydrophobicContact CD2-CG 3.92Å
57E52.8Low76.7Confident204 Ų20468.8 Ų68.895%0.95334%0.335SS*.THydrogen-bonded Turntrans-72.2-23.2167.3-64.2-174.8162.200112H55H55-E57 VanDerWaalsContact C-N 3.28Å; H55-E57 PolarHBondContact O-N 3.24Å
58D48.7Very low76.7Confident98 Ų9872.3 Ų72.352%0.52434%0.342SS..SBendtrans-101.6164.2168.2-86.6-35.6000110.9H55 L56 K60 K61H55-D58 PolarHBondContact O-N 2.96Å; H55-D58 VanDerWaalsContact O-N 3.13Å; L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 CarbonylContact C-O 3.58Å; D58-K60 PolarHBondContact O-N 3.26Å; D58-K61 IonicContact OD2-NZ 2.69Å; D58-K61 PolarHBondContact OD2-NZ 2.87Å
59K53.9Low76.8Confident201 Ų20180.2 Ų80.287%0.87437%0.37SS*.SBendtrans-50.8113.2173.2-72.3-179.5178.3176.70111.4K61K59-K61 PolarHBondContact O-N 2.91Å
60K56.6Low76.6Confident126 Ų12677.7 Ų77.755%0.54837%0.369SS..  trans-13.393.3178.5-67.8-172.7179.6-175.50114.1L56 D58 C62L56-K60 HydrophobicContact CD2-CG 3.92Å; D58-K60 PolarHBondContact O-N 3.26Å; K60-C62 PolarHBondContact O-N 2.87Å; K60-C62 VanDerWaalsContact O-N 3.16Å
61K69.4Low76.5Confident81 Ų8178.7 Ų78.735%0.35237%0.373SS..  trans-78.698.5175.7-70.7173.4179.6156.20109.5I52 H55 D58 K59 F63I52-K61 PolarHBondContact N-O 3.46Å; H55-K61 HydrophobicContact CB-CB 4.08Å; H55-K61 HydrophobicContact CB-CD 4.14Å; H55-K61 HydrophobicContact CB-CG 4.45Å; D58-K61 IonicContact OD2-NZ 2.69Å; D58-K61 PolarHBondContact OD2-NZ 2.87Å; K59-K61 PolarHBondContact O-N 2.91Å; K61-F63 HydrophobicContact CB-CE2 3.95Å; K61-F63 HydrophobicContact CB-CZ 3.99Å; K61-F63 WeakPolarHBondContact O-CE2 3.49Å
62C84.5Confident76.3Confident39 Ų3979.8 Ų79.826%0.26438%0.383SS..EExtended strand (participates in β ladder)trans-107.5150.5173.4-520000110.6Y50 C51 K60Y50-C62 CarbonylContact O-C 3.44Å; Y50-C62 WeakPolarHBondContact O-CA 3.29Å; Y50-C62 WeakPolarHBondContact O-CB 3.32Å; C51-C62 HydrophobicContact CB-CB 4.04Å; C51-C62 WeakPolarHBondContact CB-SG 3.26Å; C51-C62 WeakPolarHBondContact SG-CB 3.45Å; C51-C62 CovalentContact SG-SG 2.04Å; C51-C62 PolarHBondContact SG-SG 2.79Å; K60-C62 PolarHBondContact O-N 2.87Å; K60-C62 VanDerWaalsContact O-N 3.16Å
63F90Very high76.1Confident84 Ų8485.3 Ų85.337%0.36840%0.402SS..EExtended strand (participates in β ladder)trans-136.8173.1-170.5-55-90.3000110.2R49 Y50 I52 K61R49-F63 WeakPolarHBondContact CA-O 3.37Å; Y50-F63 HydrophobicContact CD1-CB 4.37Å; Y50-F63 HydrophobicContact CE1-CB 3.69Å; Y50-F63 HydrophobicContact CE2-CB 4.1Å; Y50-F63 HydrophobicContact CE2-CD2 4.06Å; Y50-F63 HydrophobicContact CE2-CG 4.47Å; Y50-F63 PolarHBondContact N-O 3.33Å; Y50-F63 PolarHBondContact O-N 2.67Å; Y50-F63 WeakPolarHBondContact OH-CB 3.45Å; I52-F63 HydrophobicContact CD1-CD2 4.07Å; I52-F63 HydrophobicContact CD1-CE2 3.66Å; I52-F63 HydrophobicContact CG1-CD2 4.24Å; I52-F63 HydrophobicContact CG1-CE2 4.04Å; K61-F63 HydrophobicContact CB-CE2 3.95Å; K61-F63 HydrophobicContact CB-CZ 3.99Å; K61-F63 WeakPolarHBondContact O-CE2 3.49Å
64M90.9Very high76.4Confident65 Ų6592.7 Ų92.732%0.3243%0.428SS..EExtended strand (participates in β ladder)trans-113126.7176.1-62.6-58.5-57.300110P47 D48 R49 R78P47-M64 HydrophobicContact CB-CE 3.75Å; P47-M64 VanDerWaalsContact O-CE 3.3Å; P47-M64 WeakPolarHBondContact O-CE 3.27Å; D48-M64 CarbonylContact O-C 3.54Å; D48-M64 WeakPolarHBondContact O-CA 3.46Å; R49-M64 HydrophobicContact CB-CE 4.26Å; R49-M64 HydrophobicContact CB-SD 3.74Å; R49-M64 HydrophobicContact CG-SD 4.04Å; M64-R78 WeakPolarHBondContact O-CD 3.2Å; M64-R78 WeakPolarHBondContact O-CG 3.35Å
65C93.1Very high77.2Confident0 Ų095.6 Ų95.60%044%0.444CS..EExtended strand (participates in β ladder)trans-90.6126.7168.5174.40000109.3C42 P47 D48 Y50 S67 H80C42-C65 HydrophobicContact CB-CB 3.84Å; C42-C65 WeakPolarHBondContact CB-SG 3.49Å; C42-C65 PolarHBondContact O-SG 3.49Å; C42-C65 WeakPolarHBondContact SG-CB 3.3Å; C42-C65 CovalentContact SG-SG 2.04Å; C42-C65 PolarHBondContact SG-SG 3.06Å; P47-C65 CarbonylContact C-O 3.52Å; P47-C65 WeakPolarHBondContact CA-O 3.49Å; D48-C65 PolarHBondContact N-O 3.24Å; D48-C65 PolarHBondContact O-N 2.88Å; Y50-C65 HydrophobicContact CD1-CB 3.87Å; Y50-C65 HydrophobicContact CE1-CB 3.98Å; C65-S67 PolarHBondContact SG-OG 3.24Å; C65-H80 PolarHBondContact SG-CD2 2.79Å
66D94Very high78.3Confident44 Ų4493 Ų9324%0.23543%0.434CS..  trans-138.189.3178.1-171.7-4.9000109.4P47 R68 R78 S79P47-D66 HydrophobicContact CB-CB 4.3Å; P47-D66 HydrophobicContact CG-CB 4.32Å; D66-R68 IonicContact OD1-CZ 2.63Å; D66-R68 IonicContact OD1-NE 3.24Å; D66-R68 PolarHBondContact OD1-NE 2.71Å; D66-R68 IonicContact OD1-NH2 3.33Å; D66-R68 PolarHBondContact OD1-NH2 3.42Å; D66-R68 IonicContact OD2-CZ 3Å; D66-R68 IonicContact OD2-NE 3.88Å; D66-R68 IonicContact OD2-NH2 2.66Å; D66-R68 PolarHBondContact OD2-NH2 2.77Å; D66-R78 CarbonylContact C-O 3.56Å; D66-R78 HydrophobicContact CB-CB 4.18Å; D66-R78 PolarHBondContact N-O 3.33Å; D66-R78 CarbonylContact O-C 3.45Å; D66-S79 VanDerWaalsContact O-CA 3.32Å; D66-S79 WeakPolarHBondContact O-CA 3.3Å; D66-S79 PolarHBondContact O-N 3.5Å
67S93.4Very high79.9Confident0 Ų093.3 Ų93.30%043%0.433CS..  trans-95.712.8-175.3-55.70000113C42 G43 C65 R69 H80 R81C42-S67 WeakPolarHBondContact O-CB 3.39Å; C42-S67 PolarHBondContact O-OG 3.02Å; G43-S67 CarbonylContact O-C 3.5Å; G43-S67 WeakPolarHBondContact O-CA 3.32Å; G43-S67 PolarHBondContact O-N 2.9Å; C65-S67 PolarHBondContact SG-OG 3.24Å; S67-R69 PolarHBondContact O-N 2.82Å; S67-R69 VanDerWaalsContact O-N 3.15Å; S67-H80 PolarHBondContact OG-N 3.19Å; S67-R81 PolarHBondContact O-NE 3.11Å; S67-R81 PolarHBondContact O-NH2 3.05Å; S67-R81 VanDerWaalsContact O-NH2 3.15Å
68R90.7Very high81.7Confident127 Ų12790.9 Ų90.948%0.47942%0.415SS..SBendtrans-62.1-19.9176.6-73.3173.6-58.6166.86.9113.5G43 L44 D66 R81G43-R68 PolarHBondContact O-N 3.43Å; L44-R68 WeakPolarHBondContact O-CG 3.31Å; D66-R68 IonicContact OD1-CZ 2.63Å; D66-R68 IonicContact OD1-NE 3.24Å; D66-R68 PolarHBondContact OD1-NE 2.71Å; D66-R68 IonicContact OD1-NH2 3.33Å; D66-R68 PolarHBondContact OD1-NH2 3.42Å; D66-R68 IonicContact OD2-CZ 3Å; D66-R68 IonicContact OD2-NE 3.88Å; D66-R68 IonicContact OD2-NH2 2.66Å; D66-R68 PolarHBondContact OD2-NH2 2.77Å; R68-R81 PolarHBondContact O-NH2 3.45Å
69R90.3Very high83.7Confident190 Ų19086.2 Ų86.272%0.71739%0.39SS*.SBendtrans-124.8153.2172.6-62.5-177.2178-169.2-2.5109.8S67 S79S67-R69 PolarHBondContact O-N 2.82Å; S67-R69 VanDerWaalsContact O-N 3.15Å; R69-S79 WeakPolarHBondContact O-CB 3.27Å; R69-S79 PolarHBondContact O-OG 3.27Å
70P87.1Confident85.7Confident72 Ų7276.8 Ų76.847%0.46835%0.349SS..  trans-56.7157.1168.6-24.335000112.3A72 S76P70-A72 PolarHBondContact O-N 2.85Å; P70-S76 WeakPolarHBondContact O-CB 3.34Å; P70-S76 PolarHBondContact O-OG 2.96Å
71W88.2Confident87.4Confident32 Ų3273.9 Ų73.912%0.12134%0.335CS..  trans-65.6128.8176.4-173.7104000110.6R73 E77 N84 M92 R96W71-R73 HydrophobicContact CH2-CB 3.74Å; W71-R73 HydrophobicContact CH2-CG 4.18Å; W71-R73 HydrophobicContact CZ3-CB 4.03Å; W71-E77 HydrophobicContact CZ2-CG 4.42Å; W71-N84 VanDerWaalsContact CB-OD1 3.22Å; W71-N84 WeakPolarHBondContact CB-OD1 3.37Å; W71-M92 HydrophobicContact CH2-CE 3.55Å; W71-M92 HydrophobicContact CZ2-CE 4.42Å; W71-M92 HydrophobicContact CZ3-CE 3.68Å; W71-R96 HydrophobicContact CD2-CG 3.83Å; W71-R96 HydrophobicContact CE3-CG 4.21Å; W71-R96 HydrophobicContact CG-CG 4.13Å; W71-R96 HydrophobicContact CZ2-CG 4.3Å
72A82.3Confident88.6Confident38 Ų3870.7 Ų70.731%0.31432%0.321SS..  trans-145.5138.2168.900000109.7P70 T75 S76 E77P70-A72 PolarHBondContact O-N 2.85Å; A72-T75 VanDerWaalsContact CB-OG1 3.28Å; A72-T75 WeakPolarHBondContact CB-OG1 3.41Å; A72-T75 PolarHBondContact O-N 3.28Å; A72-S76 PolarHBondContact N-OG 2.88Å; A72-S76 CarbonylContact O-C 3.59Å; A72-S76 PolarHBondContact O-N 3.41Å; A72-E77 PolarHBondContact O-N 2.94Å
73R78.8Confident88.9Confident146 Ų14671.5 Ų71.555%0.55132%0.321SS*.THydrogen-bonded Turntrans-58.6138.1-178.1-160.4178.7175.7170.9-3.5109.5W71 T75W71-R73 HydrophobicContact CH2-CB 3.74Å; W71-R73 HydrophobicContact CH2-CG 4.18Å; W71-R73 HydrophobicContact CZ3-CB 4.03Å; R73-T75 PolarHBondContact O-N 2.94Å
74Y79.1Confident89Confident184 Ų18468 Ų6872%0.72231%0.306SS*.THydrogen-bonded Turntrans65.1-22.6-174.8-45.2-71.5000117.2E77Y74-E77 PolarHBondContact N-OE1 3.37Å
75T83.3Confident89Confident115 Ų11564.9 Ų64.971%0.70629%0.291SS*.THydrogen-bonded Turntrans-107.6-32-174.959.10000115.5A72 R73A72-T75 VanDerWaalsContact CB-OG1 3.28Å; A72-T75 WeakPolarHBondContact CB-OG1 3.41Å; A72-T75 PolarHBondContact O-N 3.28Å; R73-T75 PolarHBondContact O-N 2.94Å
76S85Confident88.8Confident19 Ų1965.3 Ų65.313%0.13329%0.293CS..  trans-151.640.2-172.544.40000112.5P70 A72 R78 S79P70-S76 WeakPolarHBondContact O-CB 3.34Å; P70-S76 PolarHBondContact O-OG 2.96Å; A72-S76 PolarHBondContact N-OG 2.88Å; A72-S76 CarbonylContact O-C 3.59Å; A72-S76 PolarHBondContact O-N 3.41Å; S76-R78 PolarHBondContact O-N 2.96Å; S76-S79 WeakPolarHBondContact O-CB 3.35Å; S76-S79 PolarHBondContact O-N 3.49Å
77E86Confident87.9Confident95 Ų9564 Ų6444%0.44429%0.288SS..THydrogen-bonded Turntrans-63.7-10.7-179.9-59.3-173.6166.100114.3W71 A72 Y74W71-E77 HydrophobicContact CZ2-CG 4.42Å; A72-E77 PolarHBondContact O-N 2.94Å; Y74-E77 PolarHBondContact N-OE1 3.37Å
78R89.7Confident86.6Confident153 Ų15368 Ų6858%0.57731%0.309SS*.THydrogen-bonded Turntrans-88.11.6174.7-65.1-179-178.8-173.90.4114.1M64 D66 S76 H80M64-R78 WeakPolarHBondContact O-CD 3.2Å; M64-R78 WeakPolarHBondContact O-CG 3.35Å; D66-R78 CarbonylContact C-O 3.56Å; D66-R78 HydrophobicContact CB-CB 4.18Å; D66-R78 PolarHBondContact N-O 3.33Å; D66-R78 CarbonylContact O-C 3.45Å; S76-R78 PolarHBondContact O-N 2.96Å; R78-H80 PolarHBondContact O-CE1 3.43Å; R78-H80 PolarHBondContact O-NE2 3.45Å
79S92.2Very high85.5Confident0 Ų070.2 Ų70.20%032%0.318CS..  trans-82.1128.7179-178.10000111.3D66 R69 S76 N84D66-S79 VanDerWaalsContact O-CA 3.32Å; D66-S79 WeakPolarHBondContact O-CA 3.3Å; D66-S79 PolarHBondContact O-N 3.5Å; R69-S79 WeakPolarHBondContact O-CB 3.27Å; R69-S79 PolarHBondContact O-OG 3.27Å; S76-S79 WeakPolarHBondContact O-CB 3.35Å; S76-S79 PolarHBondContact O-N 3.49Å; S79-N84 PolarHBondContact O-ND2 2.9Å
80H94Very high84.4Confident2 Ų269.1 Ų69.11%0.00932%0.318CS..  trans-126.540.5-175.2-52.8-28.5000111.8T41 Y50 C65 S67 R78 N84 W97 W98 Q99T41-H80 WeakPolarHBondContact CG2-O 3.23Å; Y50-H80 AromaticContact CE1-NE2 3.91Å; C65-H80 PolarHBondContact SG-CD2 2.79Å; S67-H80 PolarHBondContact OG-N 3.19Å; R78-H80 PolarHBondContact O-CE1 3.43Å; R78-H80 PolarHBondContact O-NE2 3.45Å; H80-N84 WeakPolarHBondContact CA-ND2 3.26Å; H80-W97 VanDerWaalsContact CA-O 3.3Å; H80-W97 WeakPolarHBondContact CA-O 3.33Å; H80-W97 AromaticContact CD2-CE2 3.84Å; H80-W97 AromaticContact CD2-CZ2 3.85Å; H80-W97 AromaticContact CD2-NE1 3.58Å; H80-W97 AromaticContact CE1-CE2 3.47Å; H80-W97 VanDerWaalsContact CE1-CE2 3.47Å; H80-W97 AromaticContact CE1-CH2 3.54Å; H80-W97 AromaticContact CE1-CZ2 3.11Å; H80-W97 WeakPolarHBondContact CE1-CZ2 3.09Å; H80-W97 AromaticContact CE1-NE1 3.98Å; H80-W97 AromaticContact CG-CE2 3.8Å; H80-W97 AromaticContact CG-NE1 3.52Å; H80-W97 AromaticContact ND1-CE2 3.53Å; H80-W97 AromaticContact ND1-CZ2 3.69Å; H80-W97 AromaticContact ND1-NE1 3.74Å; H80-W97 AromaticContact NE2-CE2 3.66Å; H80-W97 AromaticContact NE2-CH2 3.97Å; H80-W97 AromaticContact NE2-CZ2 3.2Å; H80-W97 WeakPolarHBondContact NE2-CZ2 3.05Å; H80-W97 AromaticContact NE2-NE1 3.9Å; H80-W98 WeakPolarHBondContact O-CA 3.42Å; H80-Q99 HydrophobicContact CB-CB 3.83Å; H80-Q99 PolarHBondContact O-N 2.81Å
81R93.8Very high83.5Confident65 Ų6572.8 Ų72.825%0.24533%0.329CS..  trans-68.5166.3176.9-61.6-177.9168.7-148.7-9.7113.3S67 R68 E83 N84 W98S67-R81 PolarHBondContact O-NE 3.11Å; S67-R81 PolarHBondContact O-NH2 3.05Å; S67-R81 VanDerWaalsContact O-NH2 3.15Å; R68-R81 PolarHBondContact O-NH2 3.45Å; R81-E83 VanDerWaalsContact CB-CD 3.49Å; R81-E83 HydrophobicContact CB-CG 4.4Å; R81-E83 WeakPolarHBondContact CB-OE2 3.34Å; R81-E83 WeakPolarHBondContact CD-OE1 3.07Å; R81-E83 IonicContact NH1-OE1 3.56Å; R81-E83 PolarHBondContact O-N 2.04Å; R81-N84 PolarHBondContact N-ND2 3.16Å; R81-N84 VanDerWaalsContact O-CB 3.27Å; R81-N84 WeakPolarHBondContact O-CB 3.21Å; R81-N84 PolarHBondContact O-N 3.35Å; R81-W98 WeakPolarHBondContact O-CB 3.39Å
82I94Very high82.5Confident14 Ų1472.5 Ų72.57%0.07233%0.33CS..G310 helixtrans-67.9-32.4-175-167.559.3000113.1L36 A38 N84 V85 W98 V109L36-I82 HydrophobicContact CD2-CD1 4.27Å; L36-I82 HydrophobicContact CD2-CG1 3.73Å; L36-I82 HydrophobicContact CG-CG1 3.74Å; L36-I82 WeakPolarHBondContact O-CG2 3.37Å; A38-I82 HydrophobicContact CB-CB 3.93Å; A38-I82 HydrophobicContact CB-CD1 3.92Å; A38-I82 HydrophobicContact CB-CG1 3.85Å; I82-N84 PolarHBondContact O-N 2.77Å; I82-V85 HydrophobicContact CD1-CG1 4.28Å; I82-V85 WeakPolarHBondContact O-CG2 3.3Å; I82-V85 PolarHBondContact O-N 2.74Å; I82-W98 HydrophobicContact CB-CG 4.38Å; I82-W98 HydrophobicContact CD1-CB 3.97Å; I82-W98 HydrophobicContact CD1-CD2 3.76Å; I82-W98 HydrophobicContact CD1-CE3 4.37Å; I82-W98 HydrophobicContact CD1-CG 3.54Å; I82-V109 HydrophobicContact CD1-CG1 3.91Å; I82-V109 HydrophobicContact CD1-CG2 4.04Å; I82-V109 HydrophobicContact CG1-CG1 4.31Å
83E91.1Very high82Confident57 Ų5775.4 Ų75.427%0.26633%0.332SS..G310 helixtrans-58.7-18.8176.563.2-97.9-149.500113.8E33 R81 V85 V86E33-E83 HydrophobicContact CB-CB 4.23Å; R81-E83 VanDerWaalsContact CB-CD 3.49Å; R81-E83 HydrophobicContact CB-CG 4.4Å; R81-E83 WeakPolarHBondContact CB-OE2 3.34Å; R81-E83 WeakPolarHBondContact CD-OE1 3.07Å; R81-E83 IonicContact NH1-OE1 3.56Å; R81-E83 PolarHBondContact O-N 2.04Å; E83-V85 VanDerWaalsContact C-N 3.27Å; E83-V85 PolarHBondContact O-N 2.78Å; E83-V86 PolarHBondContact O-N 2.94Å
84N91.2Very high81.6Confident9 Ų971.9 Ų71.95%0.04834%0.335CS..G310 helixtrans-68.3-16.3180-75.7-19.1000115.1W71 S79 H80 R81 I82 V86 R96 W97W71-N84 VanDerWaalsContact CB-OD1 3.22Å; W71-N84 WeakPolarHBondContact CB-OD1 3.37Å; S79-N84 PolarHBondContact O-ND2 2.9Å; H80-N84 WeakPolarHBondContact CA-ND2 3.26Å; R81-N84 PolarHBondContact N-ND2 3.16Å; R81-N84 VanDerWaalsContact O-CB 3.27Å; R81-N84 WeakPolarHBondContact O-CB 3.21Å; R81-N84 PolarHBondContact O-N 3.35Å; I82-N84 PolarHBondContact O-N 2.77Å; N84-V86 VanDerWaalsContact C-N 3.27Å; N84-V86 PolarHBondContact O-N 2.94Å; N84-R96 HydrophobicContact CB-CB 4.06Å; N84-W97 VanDerWaalsContact CB-O 3.31Å; N84-W97 WeakPolarHBondContact CB-O 3.35Å; N84-W97 PolarHBondContact ND2-O 3.27Å
85V92.1Very high81.6Confident0 Ų068.2 Ų68.20%032%0.323CS..G310 helixtrans-78.3-12.1-178.3-520000113.2L36 I82 E83 W98 I248 E250 M251L36-V85 HydrophobicContact CD2-CG2 3.5Å; L36-V85 VanDerWaalsContact CD2-CG2 3.5Å; I82-V85 HydrophobicContact CD1-CG1 4.28Å; I82-V85 WeakPolarHBondContact O-CG2 3.3Å; I82-V85 PolarHBondContact O-N 2.74Å; E83-V85 VanDerWaalsContact C-N 3.27Å; E83-V85 PolarHBondContact O-N 2.78Å; V85-W98 HydrophobicContact CG1-CB 3.48Å; V85-W98 VanDerWaalsContact CG1-CB 3.48Å; V85-I248 HydrophobicContact CB-CG2 4.36Å; V85-I248 HydrophobicContact CG1-CB 4.05Å; V85-I248 HydrophobicContact CG1-CG2 3.94Å; V85-E250 WeakPolarHBondContact O-CA 3.49Å; V85-M251 HydrophobicContact CB-CB 4.04Å; V85-M251 HydrophobicContact CG2-CB 3.75Å; V85-M251 PolarHBondContact O-N 2.57Å
86V88.4Confident81.8Confident9 Ų965.4 Ų65.46%0.05530%0.299CS..  trans-86.8112.2179.4-171.80000108.5L29 I30 E33 L36 E83 N84L29-V86 HydrophobicContact CB-CG1 4.1Å; L29-V86 HydrophobicContact CB-CG2 3.9Å; L29-V86 HydrophobicContact CD1-CG2 4.5Å; I30-V86 HydrophobicContact CG1-CG1 4.4Å; E33-V86 HydrophobicContact CG-CB 3.97Å; E33-V86 HydrophobicContact CG-CG1 4.13Å; E33-V86 HydrophobicContact CG-CG2 3.95Å; L36-V86 HydrophobicContact CD2-CG2 4.36Å; E83-V86 PolarHBondContact O-N 2.94Å; N84-V86 VanDerWaalsContact C-N 3.27Å; N84-V86 PolarHBondContact O-N 2.94Å
87S74.2Confident82.1Confident18 Ų1865.9 Ų65.913%0.12630%0.298CS..  trans-93.5121.9179.997.90000111.5R93 E250S87-R93 PolarHBondContact OG-NE 3.18Å; S87-E250 WeakPolarHBondContact CB-OE1 3.31Å; S87-E250 PolarHBondContact OG-OE1 2.86Å
88D66.5Low82.6Confident82 Ų8261.4 Ų61.444%0.43928%0.277SS..SBendtrans-93.7-25.6176.157.3-13.8000112R96D88-R96 IonicContact OD1-NH1 3.65Å; D88-R96 IonicContact OD2-NH1 3.07Å
89R68.7Low82.8Confident175 Ų17554.1 Ų54.166%0.6625%0.249SC*.SBendtrans-143.9137.7-178.9-61.4-175.4-178.9-171.6-0.9111.5E91 M92R89-E91 PolarHBondContact O-N 3.43Å; R89-E91 VanDerWaalsContact O-N 3.12Å; R89-M92 HydrophobicContact CB-CG 4.22Å; R89-M92 WeakPolarHBondContact O-CB 3.3Å; R89-M92 PolarHBondContact O-N 2.96Å
90F66.2Low83Confident167 Ų16754.1 Ų54.173%0.73225%0.249SC*.G310 helixtrans-51.3-38.6178.3-172.7-96000113.2M92 R93F90-M92 PolarHBondContact O-N 3.43Å; F90-R93 PolarHBondContact O-N 2.91Å
91E67.9Low82.9Confident148 Ų14857.6 Ų57.669%0.69227%0.265SS*.G310 helixtrans-65.2-15179.3-59.2-176.6176.600115.6R89 K95R89-E91 PolarHBondContact O-N 3.43Å; R89-E91 VanDerWaalsContact O-N 3.12Å; E91-K95 PolarHBondContact O-NZ 3.42Å
92M68.4Low82.8Confident27 Ų2756.6 Ų56.613%0.13326%0.264CS..G310 helixtrans-101.4-18.8-174.6-62.3-63.6-7600113W71 R89 F90 A94 K95 R96W71-M92 HydrophobicContact CH2-CE 3.55Å; W71-M92 HydrophobicContact CZ2-CE 4.42Å; W71-M92 HydrophobicContact CZ3-CE 3.68Å; R89-M92 HydrophobicContact CB-CG 4.22Å; R89-M92 WeakPolarHBondContact O-CB 3.3Å; R89-M92 PolarHBondContact O-N 2.96Å; F90-M92 PolarHBondContact O-N 3.43Å; M92-A94 VanDerWaalsContact C-N 3.26Å; M92-A94 PolarHBondContact O-N 3.41Å; M92-A94 VanDerWaalsContact O-N 3.11Å; M92-K95 PolarHBondContact O-N 2.8Å; M92-K95 HydrophobicContact SD-CD 4.42Å; M92-R96 VanDerWaalsContact CE-CZ 3.45Å; M92-R96 PolarHBondContact O-N 3.28Å
93R70.5Confident82.4Confident98 Ų9857 Ų5737%0.3727%0.271SS..THydrogen-bonded Turntrans-50.1-37.7-174.9-73.1178.6165.7-165-20.2115S87 F90 E250S87-R93 PolarHBondContact OG-NE 3.18Å; F90-R93 PolarHBondContact O-N 2.91Å; R93-E250 WeakPolarHBondContact CD-OE2 3.4Å; R93-E250 WeakPolarHBondContact CG-OE2 3.12Å; R93-E250 IonicContact CZ-OE1 3.3Å; R93-E250 VanDerWaalsContact CZ-OE1 3.22Å; R93-E250 IonicContact CZ-OE2 3.86Å; R93-E250 VanDerWaalsContact CZ-OE2 3.3Å; R93-E250 IonicContact NE-OE1 3.81Å; R93-E250 PolarHBondContact NE-OE1 2.99Å; R93-E250 IonicContact NE-OE2 3.23Å; R93-E250 PolarHBondContact NE-OE2 3.08Å; R93-E250 IonicContact NH1-OE2 3.63Å; R93-E250 IonicContact NH2-OE1 3.58Å; R93-E250 PolarHBondContact NH2-OE1 3.35Å; R93-E250 IonicContact NH2-OE2 3.11Å
94A72Confident82.3Confident73 Ų7357.8 Ų57.860%0.60328%0.277SS*.THydrogen-bonded Turntrans-93.4-3.5-179.700000114.6M92M92-A94 VanDerWaalsContact C-N 3.26Å; M92-A94 PolarHBondContact O-N 3.41Å; M92-A94 VanDerWaalsContact O-N 3.11Å
95K78.3Confident82.3Confident107 Ų10760.9 Ų60.947%0.46529%0.292SS..THydrogen-bonded Turntrans-105.4-23.4-171.6-66.5176.7-175.3140.20114.1E91 M92E91-K95 PolarHBondContact O-NZ 3.42Å; M92-K95 PolarHBondContact O-N 2.8Å; M92-K95 HydrophobicContact SD-CD 4.42Å
96R87.8Confident82.4Confident56 Ų5666.5 Ų66.521%0.21132%0.322CS..  trans-109.8150.9173.3-65.2179.7178.7154.3-6.6108.6W71 N84 D88 M92W71-R96 HydrophobicContact CD2-CG 3.83Å; W71-R96 HydrophobicContact CE3-CG 4.21Å; W71-R96 HydrophobicContact CG-CG 4.13Å; W71-R96 HydrophobicContact CZ2-CG 4.3Å; N84-R96 HydrophobicContact CB-CB 4.06Å; D88-R96 IonicContact OD1-NH1 3.65Å; D88-R96 IonicContact OD2-NH1 3.07Å; M92-R96 VanDerWaalsContact CE-CZ 3.45Å; M92-R96 PolarHBondContact O-N 3.28Å
97W92.1Very high82.7Confident29 Ų2966.2 Ų66.211%0.1132%0.32CS..  trans-160.1158.4169.967.395.5000110Y50 H80 N84 K127 I248 Y249Y50-W97 WeakPolarHBondContact OH-CZ2 3.25Å; H80-W97 VanDerWaalsContact CA-O 3.3Å; H80-W97 WeakPolarHBondContact CA-O 3.33Å; H80-W97 AromaticContact CD2-CE2 3.84Å; H80-W97 AromaticContact CD2-CZ2 3.85Å; H80-W97 AromaticContact CD2-NE1 3.58Å; H80-W97 AromaticContact CE1-CE2 3.47Å; H80-W97 VanDerWaalsContact CE1-CE2 3.47Å; H80-W97 AromaticContact CE1-CH2 3.54Å; H80-W97 AromaticContact CE1-CZ2 3.11Å; H80-W97 WeakPolarHBondContact CE1-CZ2 3.09Å; H80-W97 AromaticContact CE1-NE1 3.98Å; H80-W97 AromaticContact CG-CE2 3.8Å; H80-W97 AromaticContact CG-NE1 3.52Å; H80-W97 AromaticContact ND1-CE2 3.53Å; H80-W97 AromaticContact ND1-CZ2 3.69Å; H80-W97 AromaticContact ND1-NE1 3.74Å; H80-W97 AromaticContact NE2-CE2 3.66Å; H80-W97 AromaticContact NE2-CH2 3.97Å; H80-W97 AromaticContact NE2-CZ2 3.2Å; H80-W97 WeakPolarHBondContact NE2-CZ2 3.05Å; H80-W97 AromaticContact NE2-NE1 3.9Å; N84-W97 VanDerWaalsContact CB-O 3.31Å; N84-W97 WeakPolarHBondContact CB-O 3.35Å; N84-W97 PolarHBondContact ND2-O 3.27Å; W97-K127 HydrophobicContact CB-CD 4.12Å; W97-K127 HydrophobicContact CD2-CD 3.38Å; W97-K127 VanDerWaalsContact CE2-CD 3.45Å; W97-K127 VanDerWaalsContact CE2-CE 3.42Å; W97-K127 HydrophobicContact CE3-CD 3.98Å; W97-K127 HydrophobicContact CG-CD 3.44Å; W97-K127 VanDerWaalsContact CG-CD 3.44Å; W97-K127 HydrophobicContact CZ2-CD 4.1Å; W97-I248 CarbonylContact C-O 3.53Å; W97-I248 WeakPolarHBondContact CA-O 3.18Å; W97-I248 WeakPolarHBondContact CB-O 3.36Å; W97-Y249 HydrophobicContact CB-CD1 4.12Å
98W95.5Very high83.7Confident0 Ų066.7 Ų66.70%032%0.323CS..EExtended strand (participates in β ladder)trans-91.9146.7162.2165.371.5000110.3A38 S40 T41 H80 R81 I82 V85 V107 V109 F223 A247 I248A38-W98 HydrophobicContact CB-CZ2 4.02Å; S40-W98 VanDerWaalsContact O-CZ2 3.28Å; S40-W98 WeakPolarHBondContact O-CZ2 3.47Å; S40-W98 PolarHBondContact O-NE1 3.46Å; S40-W98 VanDerWaalsContact O-NE1 3.1Å; T41-W98 PolarHBondContact OG1-NE1 2.96Å; T41-W98 VanDerWaalsContact OG1-NE1 3.16Å; H80-W98 WeakPolarHBondContact O-CA 3.42Å; R81-W98 WeakPolarHBondContact O-CB 3.39Å; I82-W98 HydrophobicContact CB-CG 4.38Å; I82-W98 HydrophobicContact CD1-CB 3.97Å; I82-W98 HydrophobicContact CD1-CD2 3.76Å; I82-W98 HydrophobicContact CD1-CE3 4.37Å; I82-W98 HydrophobicContact CD1-CG 3.54Å; V85-W98 HydrophobicContact CG1-CB 3.48Å; V85-W98 VanDerWaalsContact CG1-CB 3.48Å; W98-V107 HydrophobicContact CH2-CG1 3.65Å; W98-V107 HydrophobicContact CZ2-CG1 3.68Å; W98-V109 HydrophobicContact CH2-CG2 4.12Å; W98-V109 HydrophobicContact CZ2-CG2 4.37Å; W98-V109 HydrophobicContact CZ3-CG2 4.31Å; W98-F223 HydrophobicContact CH2-CD2 4.23Å; W98-F223 AromaticContact CH2-CE2 3.84Å; W98-F223 HydrophobicContact CH2-CE2 3.84Å; W98-F223 AromaticContact CZ3-CE2 3.81Å; W98-F223 HydrophobicContact CZ3-CE2 3.81Å; W98-A247 CarbonylContact O-C 3.6Å; W98-A247 WeakPolarHBondContact O-CA 3.13Å; W98-A247 WeakPolarHBondContact O-CB 3.01Å; W98-I248 HydrophobicContact CE3-CB 4.12Å; W98-I248 HydrophobicContact CE3-CD1 3.74Å; W98-I248 HydrophobicContact CE3-CG1 3.83Å; W98-I248 HydrophobicContact CZ3-CD1 3.69Å; W98-I248 HydrophobicContact CZ3-CG1 3.98Å; W98-I248 PolarHBondContact N-O 2.95Å; W98-I248 PolarHBondContact O-N 3.34Å
99Q94.8Very high85.1Confident0 Ų062.9 Ų62.90%030%0.303CS..EExtended strand (participates in β ladder)trans-143.6132176177.8173.5-26.100112.5T41 C42 Y50 H80 Y245 Y246 A247T41-Q99 CarbonylContact C-O 3.55Å; T41-Q99 VanDerWaalsContact CA-O 3.28Å; T41-Q99 WeakPolarHBondContact CA-O 3.39Å; C42-Q99 PolarHBondContact N-O 3.44Å; Y50-Q99 VanDerWaalsContact CG-NE2 3.26Å; H80-Q99 HydrophobicContact CB-CB 3.83Å; H80-Q99 PolarHBondContact O-N 2.81Å; Q99-Y245 HydrophobicContact CG-CD2 3.71Å; Q99-Y245 HydrophobicContact CG-CE2 4.23Å; Q99-Y245 HydrophobicContact CG-CG 4.18Å; Q99-Y246 CarbonylContact C-O 3.51Å; Q99-Y246 WeakPolarHBondContact CA-O 3.39Å; Q99-A247 HydrophobicContact CB-CB 4.07Å; Q99-A247 HydrophobicContact CG-CB 4.18Å
100S95.1Very high86.3Confident0 Ų059.8 Ų59.80%029%0.291CS..PPolyproline II helixtrans-70.7166.8176.174.40000112.7Y246S100-Y246 PolarHBondContact N-O 2.82Å; S100-Y246 PolarHBondContact OG-N 3.15Å
101K92.8Very high87.7Confident76 Ų7652 Ų5233%0.3326%0.257SS..PPolyproline II helixtrans-60.2149.7163.1-67.1-172173.3-176.50110.5S40 T41 D45S40-K101 WeakPolarHBondContact OG-CB 3.5Å; S40-K101 PolarHBondContact OG-N 3.28Å; T41-K101 WeakPolarHBondContact O-CG 3.45Å; D45-K101 IonicContact OD2-NZ 3.8Å; D45-K101 PolarHBondContact OD2-NZ 3.48Å
102N90.3Very high88.8Confident43 Ų4346.4 Ų46.423%0.2323%0.232CC..THydrogen-bonded Turntrans-61.9145.3179.5-67-16.2000112.2R49 L104 T241 Y244R49-N102 PolarHBondContact O-ND2 3.33Å; N102-L104 PolarHBondContact O-N 3.46Å; N102-T241 WeakPolarHBondContact CB-O 3.43Å; N102-Y244 CarbonylContact C-O 3.46Å
103G85.9Confident89.9Confident22 Ų2245.5 Ų45.523%0.22723%0.228CC..THydrogen-bonded Turntrans69.9-10.8175.900000116.2Q105 Y244G103-Q105 PolarHBondContact O-N 3.15Å; G103-Y244 PolarHBondContact N-O 3.24Å
104L90.2Very high90.5Very high75 Ų7542.5 Ų42.539%0.39322%0.218SC..  trans-79.8112.3-173.1-171.167.5000111.5S40 N102 V107 Y246S40-L104 WeakPolarHBondContact OG-CD2 3.37Å; N102-L104 PolarHBondContact O-N 3.46Å; L104-V107 HydrophobicContact CB-CG2 4.3Å; L104-V107 HydrophobicContact CD2-CG2 3.79Å; L104-V107 HydrophobicContact CG-CG2 3.91Å; L104-Y246 WeakPolarHBondContact O-CE2 3.18Å
105Q90.5Very high91.2Very high74 Ų7439.1 Ų39.135%0.34619%0.19SC..  trans-78-42.5-179.4-69.2-174-30.700113.7G103 V107 F223 L226 L233 Y246G103-Q105 PolarHBondContact O-N 3.15Å; Q105-V107 PolarHBondContact O-N 3.08Å; Q105-F223 CarbonylContact O-C 3.59Å; Q105-L226 HydrophobicContact CG-CB 4.36Å; Q105-L226 HydrophobicContact CG-CD1 4.16Å; Q105-L226 HydrophobicContact CG-CG 4.34Å; Q105-L233 HydrophobicContact CG-CD1 3.86Å; Q105-Y246 VanDerWaalsContact O-CE2 3.24Å; Q105-Y246 WeakPolarHBondContact O-CE2 3.04Å; Q105-Y246 PolarHBondContact O-OH 3.28Å
106N93.9Very high91.7Very high118 Ų11834.9 Ų34.963%0.63117%0.171SC*.  trans-88.2104.3-178.7-71-16.5000109.8F223 T224N106-F223 WeakPolarHBondContact CA-O 3.32Å; N106-T224 PolarHBondContact OD1-O 2.87Å
107V95.2Very high91.9Very high3 Ų332.2 Ų32.22%0.01816%0.161CC..EExtended strand (participates in β ladder)trans-140.6137179.6-177.70000108.6W98 L104 Q105 F223 Y246W98-V107 HydrophobicContact CH2-CG1 3.65Å; W98-V107 HydrophobicContact CZ2-CG1 3.68Å; L104-V107 HydrophobicContact CB-CG2 4.3Å; L104-V107 HydrophobicContact CD2-CG2 3.79Å; L104-V107 HydrophobicContact CG-CG2 3.91Å; Q105-V107 PolarHBondContact O-N 3.08Å; V107-F223 HydrophobicContact CB-CD2 4.2Å; V107-F223 HydrophobicContact CG1-CD2 4.35Å; V107-F223 PolarHBondContact N-O 3.49Å; V107-F223 WeakPolarHBondContact O-CA 3.24Å; V107-F223 WeakPolarHBondContact O-CB 3.3Å; V107-F223 WeakPolarHBondContact O-CD2 3.01Å; V107-F223 PolarHBondContact O-N 3.04Å; V107-Y246 HydrophobicContact CB-CD2 3.99Å; V107-Y246 HydrophobicContact CB-CE2 4.11Å; V107-Y246 HydrophobicContact CG2-CD2 3.86Å; V107-Y246 HydrophobicContact CG2-CE2 3.93Å
108S95.1Very high91.8Very high28 Ų2831.9 Ų31.920%0.19616%0.161CC..EExtended strand (participates in β ladder)trans-127.7148.2179.556.30000112.1A38 T39 I221 N222A38-S108 VanDerWaalsContact CA-O 3.31Å; A38-S108 WeakPolarHBondContact CA-O 3.49Å; T39-S108 WeakPolarHBondContact CG2-OG 3.46Å; T39-S108 PolarHBondContact N-O 3.48Å; T39-S108 PolarHBondContact OG1-N 3Å; T39-S108 PolarHBondContact OG1-O 3.16Å; T39-S108 PolarHBondContact OG1-OG 2.99Å; S108-I221 CarbonylContact C-O 3.22Å; S108-I221 WeakPolarHBondContact CA-O 3.38Å; S108-N222 VanDerWaalsContact CB-OD1 3.23Å; S108-N222 WeakPolarHBondContact CB-OD1 3.34Å
109V95.2Very high91.7Very high1 Ų131.9 Ų31.91%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-121131.7173.1179.90000107.9L36 S37 A38 I82 W98 R220 I221 F223 M251L36-V109 HydrophobicContact CD1-CG1 3.87Å; L36-V109 HydrophobicContact CG-CG1 4.4Å; S37-V109 CarbonylContact O-C 3.58Å; S37-V109 VanDerWaalsContact O-CA 3.29Å; S37-V109 WeakPolarHBondContact O-CA 3.49Å; A38-V109 HydrophobicContact CB-CG2 4.19Å; I82-V109 HydrophobicContact CD1-CG1 3.91Å; I82-V109 HydrophobicContact CD1-CG2 4.04Å; I82-V109 HydrophobicContact CG1-CG1 4.31Å; W98-V109 HydrophobicContact CH2-CG2 4.12Å; W98-V109 HydrophobicContact CZ2-CG2 4.37Å; W98-V109 HydrophobicContact CZ3-CG2 4.31Å; V109-R220 WeakPolarHBondContact O-CA 3.49Å; V109-I221 PolarHBondContact N-O 2.76Å; V109-I221 PolarHBondContact O-N 2.86Å; V109-F223 HydrophobicContact CG2-CE2 4.05Å; V109-M251 HydrophobicContact CG1-CE 4.06Å
110R95.1Very high91.5Very high110 Ų11034.1 Ų34.142%0.41518%0.175SC..EExtended strand (participates in β ladder)trans-126.8132.6179.9-169.5-177.381.5-170.26.1110.6S37 D112 W146 L219S37-R110 PolarHBondContact N-O 3.43Å; S37-R110 PolarHBondContact O-N 3.13Å; S37-R110 PolarHBondContact OG-O 3.26Å; R110-D112 WeakPolarHBondContact CD-OD1 3.42Å; R110-D112 IonicContact CZ-OD1 3.69Å; R110-D112 IonicContact CZ-OD2 3.42Å; R110-D112 VanDerWaalsContact NE-CG 3.28Å; R110-D112 IonicContact NE-OD1 3.94Å; R110-D112 PolarHBondContact NE-OD1 2.87Å; R110-D112 IonicContact NE-OD2 3.36Å; R110-D112 PolarHBondContact NE-OD2 2.88Å; R110-D112 IonicContact NH2-OD1 3.87Å; R110-D112 IonicContact NH2-OD2 2.81Å; R110-D112 PolarHBondContact NH2-OD2 3.46Å; R110-W146 HydrophobicContact CG-CH2 4.24Å; R110-L219 WeakPolarHBondContact CA-O 3.44Å
111L94.6Very high91.4Very high5 Ų536.1 Ų36.13%0.02618%0.184CC..EExtended strand (participates in β ladder)trans-110.4125.8168.4174.261.6000108.7L29 R32 L36 L113 N218 L219 V253L29-L111 HydrophobicContact CD2-CD1 3.88Å; L29-L111 HydrophobicContact CD2-CD2 3.71Å; L29-L111 HydrophobicContact CD2-CG 4.29Å; L29-L111 HydrophobicContact CG-CD2 4.31Å; R32-L111 HydrophobicContact CB-CD1 4.21Å; L36-L111 HydrophobicContact CD1-CB 3.96Å; L36-L111 HydrophobicContact CD1-CD1 4.37Å; L111-L113 HydrophobicContact CD1-CD2 4.27Å; L111-L113 HydrophobicContact CD2-CD2 3.9Å; L111-L113 HydrophobicContact CG-CD2 3.92Å; L111-N218 VanDerWaalsContact O-CA 3.3Å; L111-N218 WeakPolarHBondContact O-CA 3.38Å; L111-L219 HydrophobicContact CB-CB 4.49Å; L111-L219 PolarHBondContact N-O 2.83Å; L111-L219 PolarHBondContact O-N 3.04Å; L111-V253 HydrophobicContact CD2-CB 4.38Å; L111-V253 HydrophobicContact CD2-CG1 4.22Å; L111-V253 HydrophobicContact CD2-CG2 4.08Å
112D91.9Very high91.4Very high30 Ų3032.5 Ų32.516%0.1617%0.168CC..EExtended strand (participates in β ladder)trans-108.2125.1174.1-56.3-47.9000109.6R35 R110 N218R35-D112 VanDerWaalsContact CB-O 3.23Å; R35-D112 WeakPolarHBondContact CB-O 3.47Å; R35-D112 WeakPolarHBondContact CD-O 3.45Å; R35-D112 PolarHBondContact O-N 2.93Å; R110-D112 WeakPolarHBondContact CD-OD1 3.42Å; R110-D112 IonicContact CZ-OD1 3.69Å; R110-D112 IonicContact CZ-OD2 3.42Å; R110-D112 VanDerWaalsContact NE-CG 3.28Å; R110-D112 IonicContact NE-OD1 3.94Å; R110-D112 PolarHBondContact NE-OD1 2.87Å; R110-D112 IonicContact NE-OD2 3.36Å; R110-D112 PolarHBondContact NE-OD2 2.88Å; R110-D112 IonicContact NH2-OD1 3.87Å; R110-D112 IonicContact NH2-OD2 2.81Å; R110-D112 PolarHBondContact NH2-OD2 3.46Å; D112-N218 PolarHBondContact OD1-ND2 3.05Å
113L90.9Very high91.6Very high8 Ų832.6 Ų32.64%0.04217%0.169CC..EExtended strand (participates in β ladder)trans-97.4153.6177.9-52173.2000109.7L28 L111 A115 F117 V216 T217L28-L113 HydrophobicContact CB-CD2 4.34Å; L28-L113 HydrophobicContact CD1-CD1 4.09Å; L111-L113 HydrophobicContact CD1-CD2 4.27Å; L111-L113 HydrophobicContact CD2-CD2 3.9Å; L111-L113 HydrophobicContact CG-CD2 3.92Å; L113-A115 VanDerWaalsContact C-N 3.33Å; L113-F117 HydrophobicContact CB-CD2 3.84Å; L113-F117 HydrophobicContact CB-CE2 3.91Å; L113-F117 HydrophobicContact CD1-CB 4Å; L113-F117 HydrophobicContact CD1-CD2 3.55Å; L113-F117 HydrophobicContact CD1-CE2 4.35Å; L113-F117 HydrophobicContact CD1-CG 4Å; L113-F117 HydrophobicContact CG-CD2 4.17Å; L113-V216 HydrophobicContact CD1-CG1 4Å; L113-T217 WeakPolarHBondContact CA-O 3.19Å; L113-T217 WeakPolarHBondContact CB-O 3.46Å; L113-T217 WeakPolarHBondContact CG-O 3.44Å; L113-T217 PolarHBondContact N-O 3.42Å
114E83.4Confident92Very high34 Ų3431.6 Ų31.616%0.15916%0.158CC..EExtended strand (participates in β ladder)trans-81.3-13.1178.974.5-81-168.600114.1R32 I269R32-E114 IonicContact CZ-OE1 3.86Å; R32-E114 IonicContact CZ-OE2 3.28Å; R32-E114 IonicContact NE-OE1 3.45Å; R32-E114 IonicContact NE-OE2 2.71Å; R32-E114 PolarHBondContact NE-OE2 3.45Å; R32-E114 VanDerWaalsContact NH2-CD 3.35Å; R32-E114 IonicContact NH2-OE1 3.94Å; R32-E114 PolarHBondContact NH2-OE1 2.8Å; R32-E114 IonicContact NH2-OE2 3.08Å; R32-E114 PolarHBondContact NH2-OE2 3.22Å; E114-I269 HydrophobicContact CG-CD1 3.76Å
115A86.5Confident92.2Very high2 Ų229.1 Ų29.12%0.01715%0.146CC..EExtended strand (participates in β ladder)trans-150.4-173.6-173.300000110.4L113 F117 I269 G289L113-A115 VanDerWaalsContact C-N 3.33Å; A115-F117 HydrophobicContact CB-CE2 3.87Å; A115-F117 HydrophobicContact CB-CZ 4.49Å; A115-F117 WeakPolarHBondContact O-CD2 3.37Å; A115-I269 HydrophobicContact CB-CD1 3.79Å; A115-G289 WeakPolarHBondContact CB-O 3.46Å
116E88.9Confident92.3Very high18 Ų1825.6 Ų25.68%0.08413%0.129CC..EExtended strand (participates in β ladder)trans-83.1134.1172.1-160.3-172.8111.500111.5R215 S258 N301E116-R215 VanDerWaalsContact CD-CG 3.47Å; E116-R215 HydrophobicContact CG-CG 3.54Å; E116-R215 WeakPolarHBondContact OE1-CD 3.48Å; E116-R215 WeakPolarHBondContact OE2-CD 3.47Å; E116-R215 IonicContact OE2-NH1 3.42Å; E116-S258 WeakPolarHBondContact OE1-CB 3.25Å; E116-S258 PolarHBondContact OE1-OG 2.83Å; E116-N301 WeakPolarHBondContact CB-ND2 2.98Å
117F91.8Very high92.2Very high0 Ų021.2 Ų21.20%011%0.105CC..EExtended strand (participates in β ladder)trans-132.1149.1176.4-69-97.6000111.2L28 L113 A115 V216 S256 V287 H288L28-F117 HydrophobicContact CD1-CB 3.78Å; L28-F117 HydrophobicContact CD1-CD1 4.2Å; L28-F117 HydrophobicContact CD1-CG 4.07Å; L28-F117 HydrophobicContact CD2-CD1 3.55Å; L28-F117 HydrophobicContact CD2-CE1 4.02Å; L28-F117 HydrophobicContact CD2-CG 4.26Å; L113-F117 HydrophobicContact CB-CD2 3.84Å; L113-F117 HydrophobicContact CB-CE2 3.91Å; L113-F117 HydrophobicContact CD1-CB 4Å; L113-F117 HydrophobicContact CD1-CD2 3.55Å; L113-F117 HydrophobicContact CD1-CE2 4.35Å; L113-F117 HydrophobicContact CD1-CG 4Å; L113-F117 HydrophobicContact CG-CD2 4.17Å; A115-F117 HydrophobicContact CB-CE2 3.87Å; A115-F117 HydrophobicContact CB-CZ 4.49Å; A115-F117 WeakPolarHBondContact O-CD2 3.37Å; F117-V216 HydrophobicContact CB-CG1 4.44Å; F117-V216 PolarHBondContact N-O 3.31Å; F117-V216 PolarHBondContact O-N 2.71Å; F117-S256 WeakPolarHBondContact CA-O 3.05Å; F117-S256 WeakPolarHBondContact CB-O 3.37Å; F117-S256 WeakPolarHBondContact CD1-O 3.17Å; F117-V287 HydrophobicContact CD1-CG1 4.34Å; F117-V287 HydrophobicContact CE1-CG1 4.02Å; F117-H288 WeakPolarHBondContact CE1-O 3.31Å
118H90.6Very high91.9Very high22 Ų2221.8 Ų21.810%0.10211%0.109CC..EExtended strand (participates in β ladder)trans-84.9111.7167.1-76171.8000109.9Q211 L214 G255 S256 S258 Y260H118-Q211 PolarHBondContact NE2-OE1 3.43Å; H118-L214 WeakPolarHBondContact CA-O 3.34Å; H118-G255 CarbonylContact O-C 3.37Å; H118-G255 WeakPolarHBondContact O-CA 3.45Å; H118-S256 PolarHBondContact N-O 3.22Å; H118-S256 PolarHBondContact O-N 3.09Å; H118-S258 PolarHBondContact CD2-OG 2.81Å; H118-S258 PolarHBondContact NE2-OG 3.45Å; H118-Y260 AromaticContact NE2-CE1 3.95Å
119F92.7Very high91.7Very high0 Ų021.8 Ų21.80%011%0.105CC..EExtended strand (participates in β ladder)trans-97127.3179.7166.4-115.3000111.8H121 L122 Y149 F193 V195 L214 V216 L219 V253F119-H121 VanDerWaalsContact CE2-O 3.31Å; F119-H121 WeakPolarHBondContact CE2-O 3.01Å; F119-L122 HydrophobicContact CE2-CB 4.1Å; F119-L122 HydrophobicContact CZ-CB 3.75Å; F119-Y149 AromaticContact CD1-CE2 3.77Å; F119-Y149 HydrophobicContact CD1-CE2 3.77Å; F119-Y149 AromaticContact CD1-CZ 3.96Å; F119-Y149 HydrophobicContact CE1-CD2 4.34Å; F119-Y149 AromaticContact CE1-CE2 3.69Å; F119-Y149 HydrophobicContact CE1-CE2 3.69Å; F119-F193 HydrophobicContact CE1-CD1 4.09Å; F119-F193 AromaticContact CE1-CE1 3.96Å; F119-F193 HydrophobicContact CE1-CE1 3.96Å; F119-F193 HydrophobicContact CZ-CD1 4.22Å; F119-V195 HydrophobicContact CD1-CG2 3.38Å; F119-V195 HydrophobicContact CE1-CG2 3.48Å; F119-V195 VanDerWaalsContact CE1-CG2 3.48Å; F119-V195 HydrophobicContact CG-CG2 4.3Å; F119-V195 HydrophobicContact CZ-CG2 4.45Å; F119-V195 WeakPolarHBondContact O-CG2 3.11Å; F119-L214 PolarHBondContact N-O 2.8Å; F119-L214 WeakPolarHBondContact O-CD2 3.46Å; F119-V216 HydrophobicContact CB-CB 4.26Å; F119-V216 HydrophobicContact CB-CG1 3.44Å; F119-V216 VanDerWaalsContact CB-CG1 3.44Å; F119-V216 HydrophobicContact CG-CG1 4.33Å; F119-L219 HydrophobicContact CE1-CD1 4.15Å; F119-L219 HydrophobicContact CZ-CD1 4.43Å; F119-L219 HydrophobicContact CZ-CD2 4.36Å; F119-V253 HydrophobicContact CD2-CG1 3.75Å; F119-V253 HydrophobicContact CE2-CG1 3.83Å
120T90.5Very high91.6Very high47 Ų4722.7 Ų22.729%0.28811%0.108SC..EExtended strand (participates in β ladder)trans-104-48.9-173.166.20000112.5V195 R254T120-V195 PolarHBondContact O-N 3.29Å; T120-V195 VanDerWaalsContact O-N 3.08Å; T120-R254 PolarHBondContact N-O 2.77Å; T120-R254 PolarHBondContact OG1-O 2.63Å
121H92.7Very high91.6Very high42 Ų4217.5 Ų17.519%0.1949%0.089CC..EExtended strand (participates in β ladder)trans-161.1149.7-179.957.9-88.5000113.9F119 F193 K194 R254F119-H121 VanDerWaalsContact CE2-O 3.31Å; F119-H121 WeakPolarHBondContact CE2-O 3.01Å; H121-F193 CarbonylContact C-O 3.49Å; H121-F193 WeakPolarHBondContact CA-O 3.4Å; H121-F193 WeakPolarHBondContact CB-O 3.26Å; H121-K194 HydrophobicContact CB-CB 4.49Å; H121-K194 HydrophobicContact CB-CG 4.06Å; H121-R254 WeakPolarHBondContact CE1-CD 3.46Å; H121-R254 PolarHBondContact N-O 3Å; H121-R254 PolarHBondContact O-N 3.34Å
122L94.2Very high91.5Very high0 Ų017.6 Ų17.60%09%0.091CC..EExtended strand (participates in β ladder)trans-107.9134.5171172.467.8000109.7F119 M124 I136 V192 F193 L219 I221 M251 V252 V253F119-L122 HydrophobicContact CE2-CB 4.1Å; F119-L122 HydrophobicContact CZ-CB 3.75Å; L122-M124 HydrophobicContact CD1-CG 4.03Å; L122-M124 HydrophobicContact CD2-CE 3.54Å; L122-M124 HydrophobicContact CD2-CG 4.27Å; L122-M124 HydrophobicContact CD2-SD 4Å; L122-M124 HydrophobicContact CG-CE 4.15Å; L122-M124 HydrophobicContact CG-CG 4.14Å; L122-I136 HydrophobicContact CD2-CD1 3.84Å; L122-I136 HydrophobicContact CD2-CG1 4.48Å; L122-V192 WeakPolarHBondContact O-CA 3.41Å; L122-F193 HydrophobicContact CB-CB 4.48Å; L122-F193 PolarHBondContact N-O 3.49Å; L122-F193 PolarHBondContact O-N 3.36Å; L122-L219 HydrophobicContact CD2-CD2 4.47Å; L122-I221 HydrophobicContact CD2-CD1 3.81Å; L122-I221 HydrophobicContact CD2-CG1 4.12Å; L122-M251 HydrophobicContact CD1-CG 3.67Å; L122-M251 HydrophobicContact CD1-SD 4.19Å; L122-V252 WeakPolarHBondContact CA-O 3.19Å; L122-V253 HydrophobicContact CD1-CG2 3.9Å
123I93.8Very high91.7Very high46 Ų4616.2 Ų16.224%0.2368%0.083CC..EExtended strand (participates in β ladder)trans-122.8129.1167-59.2168000107.8V192 M251 V252I123-V192 HydrophobicContact CG1-CG1 4.35Å; I123-V192 HydrophobicContact CG1-CG2 4.38Å; I123-M251 WeakPolarHBondContact O-CA 3.49Å; I123-V252 HydrophobicContact CB-CB 4.47Å; I123-V252 PolarHBondContact N-O 3.26Å; I123-V252 PolarHBondContact O-N 3.21Å
124M94.5Very high92Very high1 Ų115.9 Ų15.91%0.0058%0.081CC..EExtended strand (participates in β ladder)trans-124.6124.1172.2-70.6172.7-69.500109.8L122 F126 M134 E190 V191 I221 F223 M251L122-M124 HydrophobicContact CD1-CG 4.03Å; L122-M124 HydrophobicContact CD2-CE 3.54Å; L122-M124 HydrophobicContact CD2-CG 4.27Å; L122-M124 HydrophobicContact CD2-SD 4Å; L122-M124 HydrophobicContact CG-CE 4.15Å; L122-M124 HydrophobicContact CG-CG 4.14Å; M124-F126 HydrophobicContact CB-CD2 4.36Å; M124-F126 HydrophobicContact CB-CE2 3.74Å; M124-F126 HydrophobicContact CB-CZ 4.42Å; M124-F126 HydrophobicContact SD-CZ 4.46Å; M124-M134 HydrophobicContact CE-CE 3.69Å; M124-M134 HydrophobicContact CE-SD 4.45Å; M124-E190 CarbonylContact O-C 3.57Å; M124-E190 VanDerWaalsContact O-CA 3.29Å; M124-E190 WeakPolarHBondContact O-CA 3.17Å; M124-V191 HydrophobicContact CE-CB 3.99Å; M124-V191 HydrophobicContact CE-CG1 3.91Å; M124-V191 PolarHBondContact N-O 3.01Å; M124-V191 PolarHBondContact O-N 3.11Å; M124-I221 HydrophobicContact CE-CG2 4.39Å; M124-I221 HydrophobicContact SD-CD1 3.9Å; M124-I221 HydrophobicContact SD-CG2 4.1Å; M124-F223 HydrophobicContact SD-CZ 4.49Å; M124-M251 HydrophobicContact CG-CE 4.03Å; M124-M251 HydrophobicContact CG-CG 3.99Å; M124-M251 HydrophobicContact SD-CE 3.98Å
125T93.3Very high92.6Very high22 Ų2215.1 Ų15.114%0.1358%0.078CC..EExtended strand (participates in β ladder)trans-106.8110.2178.6-51.70000109.5E190 Y249 E250T125-E190 HydrophobicContact CG2-CG 4.14Å; T125-E190 PolarHBondContact OG1-OE1 3.18Å; T125-Y249 PolarHBondContact O-N 3.14Å; T125-E250 PolarHBondContact N-O 3.42Å
126F93.2Very high93Very high0 Ų015 Ų150%08%0.078CC..EExtended strand (participates in β ladder)trans-82.2137.9-174.3-73.7-99.5000112.5M124 S128 R130 P131 G188 G189 V191 F223 A247 I248M124-F126 HydrophobicContact CB-CD2 4.36Å; M124-F126 HydrophobicContact CB-CE2 3.74Å; M124-F126 HydrophobicContact CB-CZ 4.42Å; M124-F126 HydrophobicContact SD-CZ 4.46Å; F126-S128 WeakPolarHBondContact CB-O 3.31Å; F126-R130 HydrophobicContact CB-CG 4.27Å; F126-R130 HydrophobicContact CD2-CG 3.9Å; F126-R130 HydrophobicContact CG-CG 4.18Å; F126-P131 HydrophobicContact CE1-CG 3.99Å; F126-P131 HydrophobicContact CZ-CG 3.93Å; F126-G188 WeakPolarHBondContact O-CA 3.24Å; F126-G188 PolarHBondContact O-N 2.89Å; F126-G189 WeakPolarHBondContact CB-O 3.03Å; F126-G189 PolarHBondContact N-O 3.03Å; F126-V191 HydrophobicContact CD2-CG2 4.17Å; F126-V191 HydrophobicContact CE2-CB 4.25Å; F126-V191 HydrophobicContact CE2-CG2 3.64Å; F126-F223 HydrophobicContact CE1-CE1 4.29Å; F126-F223 HydrophobicContact CE1-CZ 4.32Å; F126-F223 AromaticContact CZ-CE1 3.86Å; F126-F223 HydrophobicContact CZ-CE1 3.86Å; F126-F223 HydrophobicContact CZ-CZ 4.1Å; F126-A247 CarbonylContact C-O 3.58Å; F126-A247 WeakPolarHBondContact CA-O 3.38Å; F126-A247 WeakPolarHBondContact CD1-O 3.46Å; F126-I248 HydrophobicContact CD1-CG1 3.87Å; F126-I248 HydrophobicContact CE1-CD1 4.05Å; F126-I248 HydrophobicContact CE1-CG1 3.66Å; F126-I248 HydrophobicContact CG-CG1 4.48Å; F126-I248 HydrophobicContact CZ-CD1 4.15Å; F126-I248 HydrophobicContact CZ-CG1 4.11Å
127K91Very high93.3Very high27 Ų2715.1 Ų15.112%0.1178%0.078CC..SBendtrans-80.6-38.2166.7173.4177-16781.20111.7W97 T187 A247 Y249W97-K127 HydrophobicContact CB-CD 4.12Å; W97-K127 HydrophobicContact CD2-CD 3.38Å; W97-K127 VanDerWaalsContact CE2-CD 3.45Å; W97-K127 VanDerWaalsContact CE2-CE 3.42Å; W97-K127 HydrophobicContact CE3-CD 3.98Å; W97-K127 HydrophobicContact CG-CD 3.44Å; W97-K127 VanDerWaalsContact CG-CD 3.44Å; W97-K127 HydrophobicContact CZ2-CD 4.1Å; K127-T187 VanDerWaalsContact O-CB 3.3Å; K127-T187 WeakPolarHBondContact O-CB 3Å; K127-T187 PolarHBondContact O-OG1 3.17Å; K127-A247 HydrophobicContact CB-CB 3.8Å; K127-A247 HydrophobicContact CD-CB 4.27Å; K127-A247 HydrophobicContact CG-CB 4.22Å; K127-A247 PolarHBondContact N-O 3.02Å; K127-Y249 VanDerWaalsContact CA-CE2 3.42Å; K127-Y249 HydrophobicContact CB-CD1 4.16Å; K127-Y249 HydrophobicContact CB-CD2 3.77Å; K127-Y249 HydrophobicContact CB-CE1 3.98Å; K127-Y249 HydrophobicContact CB-CE2 3.59Å; K127-Y249 HydrophobicContact CB-CG 4.05Å; K127-Y249 HydrophobicContact CD-CE1 3.91Å; K127-Y249 HydrophobicContact CG-CE1 3.96Å; K127-Y249 HydrophobicContact CG-CE2 3.95Å; K127-Y249 PolarHBondContact NZ-OH 2.96Å
128S90.4Very high93.4Very high14 Ų1415.7 Ų15.710%0.0988%0.08CC..SBendtrans-79.2-173.3170.958.10000110.8F126 S186 Y245 A247F126-S128 WeakPolarHBondContact CB-O 3.31Å; S128-S186 CarbonylContact C-O 3.43Å; S128-Y245 VanDerWaalsContact CB-O 3.32Å; S128-Y245 WeakPolarHBondContact CB-O 3.18Å; S128-A247 PolarHBondContact N-O 2.98Å; S128-A247 PolarHBondContact OG-N 3.2Å; S128-A247 PolarHBondContact OG-O 3.31Å
129F90.7Very high93.6Very high28 Ų2814.7 Ų14.712%0.1238%0.076CC..PPolyproline II helixtrans-52.8149.9152-58.7-63.1000110.5V53 V183 S186 H227 L229V53-F129 HydrophobicContact CB-CE2 4.05Å; V53-F129 HydrophobicContact CB-CZ 4.19Å; V53-F129 HydrophobicContact CG1-CE2 4.04Å; V53-F129 HydrophobicContact CG1-CZ 3.9Å; V53-F129 HydrophobicContact CG2-CE2 4.14Å; F129-V183 HydrophobicContact CD1-CG1 3.92Å; F129-V183 VanDerWaalsContact CD1-O 3.23Å; F129-V183 WeakPolarHBondContact CD1-O 3.3Å; F129-V183 HydrophobicContact CE1-CG1 3.8Å; F129-S186 VanDerWaalsContact CE1-CB 3.44Å; F129-H227 HydrophobicContact CB-CB 4.38Å; F129-L229 HydrophobicContact CE2-CD1 3.91Å; F129-L229 HydrophobicContact CE2-CG 4.38Å; F129-L229 HydrophobicContact CZ-CD1 3.86Å; F129-L229 HydrophobicContact CZ-CD2 4.35Å; F129-L229 HydrophobicContact CZ-CG 4.48Å
130R93.4Very high93.4Very high20 Ų2015.5 Ų15.58%0.0758%0.082CC..PPolyproline II helixtrans-64.6158.9165.5-64.2177.7-65.5-175.43.5109.8F126 Y180 F182 A184 E190 V191 H227F126-R130 HydrophobicContact CB-CG 4.27Å; F126-R130 HydrophobicContact CD2-CG 3.9Å; F126-R130 HydrophobicContact CG-CG 4.18Å; R130-Y180 WeakPolarHBondContact CD-O 3.24Å; R130-Y180 VanDerWaalsContact CZ-O 3.3Å; R130-Y180 PolarHBondContact NE-O 2.82Å; R130-Y180 VanDerWaalsContact NE-O 3.15Å; R130-F182 PolarHBondContact NE-O 3.17Å; R130-F182 PolarHBondContact NH2-O 3.26Å; R130-A184 PolarHBondContact NH2-O 2.79Å; R130-E190 WeakPolarHBondContact CD-O 3.49Å; R130-E190 PolarHBondContact NH1-O 3.43Å; R130-V191 HydrophobicContact CB-CG2 4.42Å; R130-V191 HydrophobicContact CG-CG2 4.19Å; R130-H227 PolarHBondContact O-CD2 3.06Å
131P94.7Very high93.3Very high2 Ų215.3 Ų15.31%0.0138%0.079CC..PPolyproline II helixtrans-57.3144.5175.4-23.935.3000111.9F126 A133 M134 F223 Y246F126-P131 HydrophobicContact CE1-CG 3.99Å; F126-P131 HydrophobicContact CZ-CG 3.93Å; P131-A133 VanDerWaalsContact C-N 3.31Å; P131-M134 HydrophobicContact CB-CB 3.99Å; P131-M134 HydrophobicContact CB-CG 4.14Å; P131-M134 HydrophobicContact CB-SD 4.31Å; P131-M134 HydrophobicContact CG-CB 4.25Å; P131-M134 HydrophobicContact CG-CG 4.26Å; P131-M134 HydrophobicContact CG-SD 3.8Å; P131-F223 HydrophobicContact CB-CD1 4.23Å; P131-F223 HydrophobicContact CG-CB 4.5Å; P131-F223 HydrophobicContact CG-CD1 3.41Å; P131-F223 VanDerWaalsContact CG-CD1 3.41Å; P131-F223 HydrophobicContact CG-CE1 3.9Å; P131-F223 HydrophobicContact CG-CG 4.16Å; P131-Y246 HydrophobicContact CB-CD1 4.48Å; P131-Y246 HydrophobicContact CB-CE1 3.86Å; P131-Y246 HydrophobicContact CG-CD1 4.06Å; P131-Y246 HydrophobicContact CG-CE1 3.92Å
132A93.3Very high93.3Very high7 Ų719.3 Ų19.36%0.05810%0.096CC..SBendtrans-75.4-26.5169.800000111.3A153 Y154 K225A132-A153 CarbonylContact O-C 3.51Å; A132-A153 WeakPolarHBondContact O-CA 3.38Å; A132-Y154 PolarHBondContact O-N 3.21Å; A132-K225 HydrophobicContact CB-CB 4.13Å; A132-K225 HydrophobicContact CB-CG 4.2Å; A132-K225 WeakPolarHBondContact CB-O 3.34Å; A132-K225 PolarHBondContact N-O 2.9Å
133A95.5Very high92.9Very high0 Ų020.5 Ų20.50%011%0.108CC..EExtended strand (participates in β ladder)trans-150.5143165.900000110.9P131 F152 A153 F160 T224 K225P131-A133 VanDerWaalsContact C-N 3.31Å; A133-F152 CarbonylContact C-O 3.46Å; A133-F152 VanDerWaalsContact CA-O 3.3Å; A133-F152 WeakPolarHBondContact CA-O 3.48Å; A133-A153 HydrophobicContact CB-CB 4.05Å; A133-F160 HydrophobicContact CB-CE2 3.99Å; A133-F160 HydrophobicContact CB-CZ 4.16Å; A133-T224 VanDerWaalsContact C-OG1 3.32Å; A133-T224 WeakPolarHBondContact CB-OG1 3.49Å; A133-T224 PolarHBondContact O-N 3.44Å; A133-T224 PolarHBondContact O-OG1 2.8Å; A133-K225 HydrophobicContact CB-CB 3.7Å; A133-K225 HydrophobicContact CB-CD 4.42Å; A133-K225 PolarHBondContact N-O 3.11Å; A133-K225 PolarHBondContact O-N 2.84Å
134M96.3Very high92.7Very high1 Ų127 Ų271%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-160.1165.6175.964.2169.8-73.100112.3M124 P131 I136 F152 F160 V191 I221 N222 F223M124-M134 HydrophobicContact CE-CE 3.69Å; M124-M134 HydrophobicContact CE-SD 4.45Å; P131-M134 HydrophobicContact CB-CB 3.99Å; P131-M134 HydrophobicContact CB-CG 4.14Å; P131-M134 HydrophobicContact CB-SD 4.31Å; P131-M134 HydrophobicContact CG-CB 4.25Å; P131-M134 HydrophobicContact CG-CG 4.26Å; P131-M134 HydrophobicContact CG-SD 3.8Å; M134-I136 HydrophobicContact CE-CG1 4.11Å; M134-F152 HydrophobicContact CE-CD2 4.48Å; M134-F152 HydrophobicContact CG-CB 3.84Å; M134-F152 HydrophobicContact CG-CD2 4.24Å; M134-F152 HydrophobicContact CG-CG 4.41Å; M134-F152 PolarHBondContact N-O 3.23Å; M134-F152 PolarHBondContact O-N 3.04Å; M134-F152 VanDerWaalsContact O-O 3.09Å; M134-F160 WeakPolarHBondContact O-CE2 3.48Å; M134-V191 HydrophobicContact SD-CG1 4.22Å; M134-V191 HydrophobicContact SD-CG2 4.33Å; M134-I221 HydrophobicContact CE-CG2 3.58Å; M134-N222 CarbonylContact C-O 2.99Å; M134-N222 WeakPolarHBondContact CA-O 3.4Å; M134-N222 VanDerWaalsContact CB-O 3.25Å; M134-N222 WeakPolarHBondContact CB-O 3.43Å; M134-F223 HydrophobicContact CB-CD1 3.88Å; M134-F223 HydrophobicContact CE-CD1 4.3Å; M134-F223 HydrophobicContact CE-CE1 3.94Å; M134-F223 HydrophobicContact SD-CD1 4.1Å; M134-F223 HydrophobicContact SD-CE1 3.99Å
135L95.9Very high92.5Very high18 Ų1830.6 Ų30.69%0.09416%0.157CC..EExtended strand (participates in β ladder)trans-139.6159.8169.965.9150.4000112.2E137 T148 R150 Y151 F160 N222 T224L135-E137 HydrophobicContact CD1-CG 3.86Å; L135-T148 HydrophobicContact CD1-CG2 4.14Å; L135-R150 WeakPolarHBondContact CA-O 3.06Å; L135-Y151 HydrophobicContact CB-CD1 3.74Å; L135-Y151 HydrophobicContact CB-CE1 4.07Å; L135-Y151 HydrophobicContact CB-CG 4.43Å; L135-Y151 HydrophobicContact CD1-CE1 3.99Å; L135-Y151 HydrophobicContact CG-CE1 4.48Å; L135-F160 HydrophobicContact CD2-CE1 4.17Å; L135-F160 HydrophobicContact CD2-CZ 4.19Å; L135-N222 HydrophobicContact CD2-CB 3.79Å; L135-N222 HydrophobicContact CG-CB 4.12Å; L135-N222 PolarHBondContact N-O 2.89Å; L135-N222 PolarHBondContact O-N 2.8Å; L135-T224 HydrophobicContact CD2-CG2 3.98Å
136I96.3Very high92.5Very high0 Ų032.6 Ų32.60%016%0.162CC..EExtended strand (participates in β ladder)trans-118.1134.5174.1-52.8171.5000108.7L122 M134 Y149 R150 F152 F193 L219L122-I136 HydrophobicContact CD2-CD1 3.84Å; L122-I136 HydrophobicContact CD2-CG1 4.48Å; M134-I136 HydrophobicContact CE-CG1 4.11Å; I136-Y149 HydrophobicContact CG2-CD2 4.11Å; I136-Y149 PolarHBondContact O-N 3.49Å; I136-R150 PolarHBondContact N-O 2.91Å; I136-F152 HydrophobicContact CD1-CE2 3.68Å; I136-F152 HydrophobicContact CD1-CZ 4.31Å; I136-F152 HydrophobicContact CG1-CE2 4.12Å; I136-F193 HydrophobicContact CD1-CB 3.58Å; I136-F193 HydrophobicContact CD1-CD1 3.96Å; I136-F193 HydrophobicContact CD1-CG 3.81Å; I136-L219 HydrophobicContact CG2-CD1 3.89Å; I136-L219 HydrophobicContact CG2-CG 4.5Å
137E95.2Very high92.5Very high21 Ų2137.2 Ų37.210%0.09818%0.182CC..EExtended strand (participates in β ladder)trans-129.7152.6178.1-59.1167.4101.700110.6L135 W146 K147 R220 N222L135-E137 HydrophobicContact CD1-CG 3.86Å; E137-W146 HydrophobicContact CB-CE3 4.02Å; E137-K147 CarbonylContact C-O 3.53Å; E137-K147 VanDerWaalsContact CA-O 3.29Å; E137-K147 WeakPolarHBondContact CA-O 3.46Å; E137-R220 HydrophobicContact CB-CB 4.46Å; E137-R220 PolarHBondContact N-O 3.46Å; E137-R220 PolarHBondContact O-N 3.47Å; E137-R220 IonicContact OE1-CZ 3.93Å; E137-R220 IonicContact OE1-NE 2.96Å; E137-R220 IonicContact OE1-NH2 3.58Å; E137-R220 PolarHBondContact OE1-NH2 3.37Å; E137-R220 IonicContact OE2-CZ 3.02Å; E137-R220 VanDerWaalsContact OE2-CZ 3.26Å; E137-R220 IonicContact OE2-NE 3.39Å; E137-R220 PolarHBondContact OE2-NE 2.78Å; E137-R220 IonicContact OE2-NH2 2.92Å; E137-R220 PolarHBondContact OE2-NH2 2.96Å; E137-N222 PolarHBondContact OE2-ND2 2.77Å
138R94.1Very high92.6Very high11 Ų1137.8 Ų37.84%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-124156.1172.355.2145.7172.4122.50.6112.2S140 W146 K147 Y149 D212 V216 N218R138-S140 PolarHBondContact NH1-OG 3.41Å; R138-W146 CarbonylContact O-C 3.48Å; R138-W146 WeakPolarHBondContact O-CA 3.4Å; R138-K147 HydrophobicContact CG-CB 4.49Å; R138-K147 PolarHBondContact N-O 3.38Å; R138-K147 PolarHBondContact O-N 2.8Å; R138-Y149 HydrophobicContact CB-CD2 3.99Å; R138-Y149 HydrophobicContact CB-CE2 3.51Å; R138-Y149 WeakPolarHBondContact CD-OH 3.21Å; R138-Y149 HydrophobicContact CG-CD1 4.37Å; R138-Y149 HydrophobicContact CG-CD2 3.92Å; R138-Y149 HydrophobicContact CG-CE1 4.03Å; R138-Y149 HydrophobicContact CG-CE2 3.57Å; R138-Y149 HydrophobicContact CG-CG 4.31Å; R138-D212 IonicContact CZ-OD1 3.57Å; R138-D212 IonicContact CZ-OD2 3.69Å; R138-D212 PolarHBondContact NE-O 2.8Å; R138-D212 PolarHBondContact NH1-O 3.28Å; R138-D212 IonicContact NH1-OD1 2.73Å; R138-D212 PolarHBondContact NH1-OD1 2.04Å; R138-D212 IonicContact NH1-OD2 2.75Å; R138-D212 PolarHBondContact NH1-OD2 3.47Å; R138-D212 VanDerWaalsContact NH2-CG 3.27Å; R138-D212 PolarHBondContact NH2-O 3.39Å; R138-D212 VanDerWaalsContact NH2-O 3.1Å; R138-D212 IonicContact NH2-OD1 2.71Å; R138-D212 IonicContact NH2-OD2 3.79Å; R138-D212 PolarHBondContact NH2-OD2 3.4Å; R138-V216 HydrophobicContact CB-CG2 4.03Å; R138-N218 WeakPolarHBondContact CA-O 3.4Å
139S93.3Very high92.8Very high2 Ų237.8 Ų37.81%0.01419%0.186CC..EExtended strand (participates in β ladder)trans-116.6146.7157.3165.50000108.7D141 F142 G143 T145 T217 N218S139-D141 PolarHBondContact OG-N 2.94Å; S139-D141 VanDerWaalsContact OG-N 3.14Å; S139-D141 PolarHBondContact OG-OD1 2.88Å; S139-F142 PolarHBondContact OG-N 3.17Å; S139-G143 VanDerWaalsContact OG-CA 3.3Å; S139-G143 WeakPolarHBondContact OG-CA 3.3Å; S139-G143 PolarHBondContact OG-N 2.81Å; S139-T145 WeakPolarHBondContact CA-O 3.34Å; S139-T145 WeakPolarHBondContact CB-O 3.35Å; S139-T145 PolarHBondContact OG-O 2.92Å; S139-T217 PolarHBondContact O-N 3.49Å; S139-T217 PolarHBondContact O-OG1 3.1Å; S139-T217 PolarHBondContact OG-OG1 2.68Å; S139-N218 PolarHBondContact N-O 3.32Å; S139-N218 PolarHBondContact O-N 2.72Å
140S88.6Confident92.9Very high17 Ų1737.5 Ų37.512%0.11918%0.184CC..SBendtrans-118.613.7174.2-530000110.9R138 R215R138-S140 PolarHBondContact NH1-OG 3.41Å; S140-R215 PolarHBondContact OG-O 2.99Å
141D89.8Confident93Very high42 Ų4238.5 Ų38.523%0.22519%0.188CC..SBendtrans-143.233.2-167.466.2-5.7000112.6S139 G143 K144 T145 T217S139-D141 PolarHBondContact OG-N 2.94Å; S139-D141 VanDerWaalsContact OG-N 3.14Å; S139-D141 PolarHBondContact OG-OD1 2.88Å; D141-G143 VanDerWaalsContact C-N 3.3Å; D141-G143 PolarHBondContact O-N 3.15Å; D141-K144 WeakPolarHBondContact O-CG 3.25Å; D141-K144 PolarHBondContact OD1-N 2.88Å; D141-K144 WeakPolarHBondContact OD2-CB 3.3Å; D141-T145 VanDerWaalsContact CG-OG1 3.28Å; D141-T145 PolarHBondContact OD1-N 3.26Å; D141-T145 PolarHBondContact OD1-OG1 3.34Å; D141-T145 VanDerWaalsContact OD2-CB 3.27Å; D141-T145 WeakPolarHBondContact OD2-CB 3.26Å; D141-T145 VanDerWaalsContact OD2-CG2 3.3Å; D141-T145 WeakPolarHBondContact OD2-CG2 3.05Å; D141-T145 PolarHBondContact OD2-N 2.98Å; D141-T145 PolarHBondContact OD2-OG1 3.27Å; D141-T217 PolarHBondContact N-OG1 2.98Å
142F90.7Very high93Very high126 Ų12638.5 Ų38.555%0.55319%0.188SC*.THydrogen-bonded Turntrans59.833179.1-58.5-85.1000114.8S139 T217 N218S139-F142 PolarHBondContact OG-N 3.17Å; F142-T217 WeakPolarHBondContact CA-OG1 3.23Å; F142-T217 HydrophobicContact CD1-CG2 4.02Å; F142-T217 HydrophobicContact CD2-CG2 4.12Å; F142-T217 HydrophobicContact CE1-CG2 3.85Å; F142-T217 HydrophobicContact CE2-CG2 3.95Å; F142-T217 HydrophobicContact CG-CG2 4.16Å; F142-T217 HydrophobicContact CZ-CG2 3.81Å; F142-T217 PolarHBondContact N-OG1 3.39Å; F142-N218 VanDerWaalsContact CA-OD1 3.24Å; F142-N218 WeakPolarHBondContact CA-OD1 3.28Å
143G87.5Confident93.1Very high26 Ų2638.1 Ų38.127%0.26819%0.185SC..THydrogen-bonded Turntrans94.34171.400000114.9S139 D141 W146 N218S139-G143 VanDerWaalsContact OG-CA 3.3Å; S139-G143 WeakPolarHBondContact OG-CA 3.3Å; S139-G143 PolarHBondContact OG-N 2.81Å; D141-G143 VanDerWaalsContact C-N 3.3Å; D141-G143 PolarHBondContact O-N 3.15Å; G143-W146 PolarHBondContact O-NE1 3.31Å; G143-N218 PolarHBondContact N-OD1 3.5Å
144K88.6Confident92.9Very high181 Ų18144.5 Ų44.579%0.78721%0.21SC*.SBendtrans-68.6-46.9-179.6-64.3172.6-175.7175.80111.5D141D141-K144 WeakPolarHBondContact O-CG 3.25Å; D141-K144 PolarHBondContact OD1-N 2.88Å; D141-K144 WeakPolarHBondContact OD2-CB 3.3Å
145T91Very high92.7Very high78 Ų7848 Ų4848%0.47923%0.229SC..SBendtrans-118.9158.5174.967.70000111.6S139 D141S139-T145 WeakPolarHBondContact CA-O 3.34Å; S139-T145 WeakPolarHBondContact CB-O 3.35Å; S139-T145 PolarHBondContact OG-O 2.92Å; D141-T145 VanDerWaalsContact CG-OG1 3.28Å; D141-T145 PolarHBondContact OD1-N 3.26Å; D141-T145 PolarHBondContact OD1-OG1 3.34Å; D141-T145 VanDerWaalsContact OD2-CB 3.27Å; D141-T145 WeakPolarHBondContact OD2-CB 3.26Å; D141-T145 VanDerWaalsContact OD2-CG2 3.3Å; D141-T145 WeakPolarHBondContact OD2-CG2 3.05Å; D141-T145 PolarHBondContact OD2-N 2.98Å; D141-T145 PolarHBondContact OD2-OG1 3.27Å
146W92.7Very high92.5Very high64 Ų6447.2 Ų47.224%0.24223%0.225CC..  trans-135.2125-177.7-67.584000110.4R110 E137 R138 G143 N218 R220R110-W146 HydrophobicContact CG-CH2 4.24Å; E137-W146 HydrophobicContact CB-CE3 4.02Å; R138-W146 CarbonylContact O-C 3.48Å; R138-W146 WeakPolarHBondContact O-CA 3.4Å; G143-W146 PolarHBondContact O-NE1 3.31Å; W146-N218 HydrophobicContact CH2-CB 3.56Å; W146-N218 HydrophobicContact CZ2-CB 4.19Å; W146-N218 HydrophobicContact CZ3-CB 4.22Å; W146-R220 VanDerWaalsContact CD2-CZ 3.43Å; W146-R220 HydrophobicContact CE3-CB 3.87Å; W146-R220 VanDerWaalsContact CG-NH2 3.33Å; W146-R220 HydrophobicContact CH2-CB 3.76Å; W146-R220 HydrophobicContact CZ3-CB 3.26Å; W146-R220 HydrophobicContact CZ3-CG 4.44Å
147K92.7Very high92.2Very high96 Ų9650.7 Ų50.742%0.41725%0.253SS..EExtended strand (participates in β ladder)trans-112.1136.1175.2-67.5175.9178.51760109.6E137 R138 D212E137-K147 CarbonylContact C-O 3.53Å; E137-K147 VanDerWaalsContact CA-O 3.29Å; E137-K147 WeakPolarHBondContact CA-O 3.46Å; R138-K147 HydrophobicContact CG-CB 4.49Å; R138-K147 PolarHBondContact N-O 3.38Å; R138-K147 PolarHBondContact O-N 2.8Å; K147-D212 IonicContact NZ-OD1 3.49Å; K147-D212 PolarHBondContact NZ-OD1 2.03Å; K147-D212 IonicContact NZ-OD2 2.65Å; K147-D212 PolarHBondContact NZ-OD2 3.09Å
148T94Very high92Very high39 Ų3954.6 Ų54.624%0.23928%0.275CS..EExtended strand (participates in β ladder)trans-77.6129.1177.4-510000111.2L135 Y151 V174L135-T148 HydrophobicContact CD1-CG2 4.14Å; T148-Y151 HydrophobicContact CG2-CD2 4.17Å; T148-Y151 HydrophobicContact CG2-CE1 4.28Å; T148-Y151 HydrophobicContact CG2-CE2 3.67Å; T148-V174 HydrophobicContact CG2-CG1 4.21Å; T148-V174 WeakPolarHBondContact O-CG2 3.47Å
149Y93.6Very high91.8Very high15 Ų1555.3 Ų55.36%0.05928%0.282CS..EExtended strand (participates in β ladder)trans-84.9-51173.8-91.5-46.1000112.6F119 I136 R138 F193 V195 L213 L219F119-Y149 AromaticContact CD1-CE2 3.77Å; F119-Y149 HydrophobicContact CD1-CE2 3.77Å; F119-Y149 AromaticContact CD1-CZ 3.96Å; F119-Y149 HydrophobicContact CE1-CD2 4.34Å; F119-Y149 AromaticContact CE1-CE2 3.69Å; F119-Y149 HydrophobicContact CE1-CE2 3.69Å; I136-Y149 HydrophobicContact CG2-CD2 4.11Å; I136-Y149 PolarHBondContact O-N 3.49Å; R138-Y149 HydrophobicContact CB-CD2 3.99Å; R138-Y149 HydrophobicContact CB-CE2 3.51Å; R138-Y149 WeakPolarHBondContact CD-OH 3.21Å; R138-Y149 HydrophobicContact CG-CD1 4.37Å; R138-Y149 HydrophobicContact CG-CD2 3.92Å; R138-Y149 HydrophobicContact CG-CE1 4.03Å; R138-Y149 HydrophobicContact CG-CE2 3.57Å; R138-Y149 HydrophobicContact CG-CG 4.31Å; Y149-F193 HydrophobicContact CD1-CE1 4.01Å; Y149-F193 AromaticContact CD1-CZ 3.8Å; Y149-F193 HydrophobicContact CD1-CZ 3.8Å; Y149-F193 AromaticContact CD2-CE1 3.68Å; Y149-F193 HydrophobicContact CD2-CE1 3.68Å; Y149-F193 HydrophobicContact CD2-CZ 4.26Å; Y149-F193 HydrophobicContact CE2-CE1 4.18Å; Y149-F193 AromaticContact CG-CE1 3.57Å; Y149-F193 HydrophobicContact CG-CE1 3.57Å; Y149-F193 AromaticContact CG-CZ 3.66Å; Y149-F193 HydrophobicContact CG-CZ 3.66Å; Y149-V195 HydrophobicContact CE1-CG1 4.05Å; Y149-V195 HydrophobicContact CE1-CG2 4.1Å; Y149-V195 HydrophobicContact CE2-CG2 4.47Å; Y149-L213 HydrophobicContact CE1-CD2 4.3Å; Y149-L213 WeakPolarHBondContact CE1-O 3.08Å; Y149-L213 PolarHBondContact OH-O 2.78Å; Y149-L219 HydrophobicContact CD2-CD1 4.31Å; Y149-L219 HydrophobicContact CE2-CD1 4.11Å
150R93.6Very high91.8Very high22 Ų2256.5 Ų56.58%0.08329%0.287CS..EExtended strand (participates in β ladder)trans-162.3146.4-175.2-168.6161.3-64.1-168.94.9112.2L135 I136 F152 D177 F193L135-R150 WeakPolarHBondContact CA-O 3.06Å; I136-R150 PolarHBondContact N-O 2.91Å; R150-F152 HydrophobicContact CB-CE2 3.94Å; R150-F152 HydrophobicContact CB-CZ 4.23Å; R150-F152 HydrophobicContact CG-CD2 4.44Å; R150-F152 HydrophobicContact CG-CE1 4.41Å; R150-F152 HydrophobicContact CG-CE2 3.86Å; R150-F152 HydrophobicContact CG-CZ 3.86Å; R150-D177 IonicContact NH1-OD2 2.72Å; R150-F193 HydrophobicContact CB-CD2 3.93Å; R150-F193 HydrophobicContact CB-CE2 3.82Å
151Y95.5Very high92Very high41 Ų4160.4 Ų60.416%0.16131%0.312CS..EExtended strand (participates in β ladder)trans-100.5148.9169.7-62.6-90000110.6L135 T148 F160 I163 V174 V175 C176 D177L135-Y151 HydrophobicContact CB-CD1 3.74Å; L135-Y151 HydrophobicContact CB-CE1 4.07Å; L135-Y151 HydrophobicContact CB-CG 4.43Å; L135-Y151 HydrophobicContact CD1-CE1 3.99Å; L135-Y151 HydrophobicContact CG-CE1 4.48Å; T148-Y151 HydrophobicContact CG2-CD2 4.17Å; T148-Y151 HydrophobicContact CG2-CE1 4.28Å; T148-Y151 HydrophobicContact CG2-CE2 3.67Å; Y151-F160 HydrophobicContact CD1-CB 4.25Å; Y151-F160 AromaticContact CD1-CD1 3.49Å; Y151-F160 HydrophobicContact CD1-CD1 3.49Å; Y151-F160 VanDerWaalsContact CD1-CD1 3.49Å; Y151-F160 AromaticContact CD1-CD2 3.78Å; Y151-F160 HydrophobicContact CD1-CD2 3.78Å; Y151-F160 AromaticContact CD1-CE1 3.65Å; Y151-F160 HydrophobicContact CD1-CE1 3.65Å; Y151-F160 AromaticContact CD1-CE2 3.91Å; Y151-F160 HydrophobicContact CD1-CE2 3.91Å; Y151-F160 AromaticContact CD1-CG 3.56Å; Y151-F160 HydrophobicContact CD1-CG 3.56Å; Y151-F160 AromaticContact CD1-CZ 3.85Å; Y151-F160 HydrophobicContact CD1-CZ 3.85Å; Y151-F160 AromaticContact CE1-CD1 3.78Å; Y151-F160 HydrophobicContact CE1-CD1 3.78Å; Y151-F160 HydrophobicContact CE1-CE1 4.01Å; Y151-F160 HydrophobicContact CE1-CG 4.22Å; Y151-F160 HydrophobicContact CG-CD2 4.16Å; Y151-F160 HydrophobicContact CG-CE2 4.48Å; Y151-F160 HydrophobicContact CG-CG 4.17Å; Y151-I163 HydrophobicContact CD2-CB 4.48Å; Y151-I163 HydrophobicContact CD2-CD1 4.36Å; Y151-I163 HydrophobicContact CD2-CG1 4.05Å; Y151-I163 HydrophobicContact CD2-CG2 3.74Å; Y151-I163 HydrophobicContact CE2-CD1 3.76Å; Y151-I163 HydrophobicContact CE2-CG1 3.88Å; Y151-I163 HydrophobicContact CE2-CG2 4.21Å; Y151-I163 HydrophobicContact CG-CG2 4.42Å; Y151-V174 HydrophobicContact CD2-CG1 3.84Å; Y151-V174 HydrophobicContact CE2-CG1 3.6Å; Y151-V175 PolarHBondContact N-O 3.32Å; Y151-C176 CarbonylContact O-C 3.59Å; Y151-C176 WeakPolarHBondContact O-CA 3.43Å; Y151-D177 PolarHBondContact O-N 3.17Å
152F95.9Very high91.8Very high1 Ų162.4 Ų62.40%0.00434%0.342CS..EExtended strand (participates in β ladder)trans-136.5123172.8-57.8-96.7000108.6A133 M134 I136 R150 D177 Y180 V191 F193A133-F152 CarbonylContact C-O 3.46Å; A133-F152 VanDerWaalsContact CA-O 3.3Å; A133-F152 WeakPolarHBondContact CA-O 3.48Å; M134-F152 HydrophobicContact CE-CD2 4.48Å; M134-F152 HydrophobicContact CG-CB 3.84Å; M134-F152 HydrophobicContact CG-CD2 4.24Å; M134-F152 HydrophobicContact CG-CG 4.41Å; M134-F152 PolarHBondContact N-O 3.23Å; M134-F152 PolarHBondContact O-N 3.04Å; M134-F152 VanDerWaalsContact O-O 3.09Å; I136-F152 HydrophobicContact CD1-CE2 3.68Å; I136-F152 HydrophobicContact CD1-CZ 4.31Å; I136-F152 HydrophobicContact CG1-CE2 4.12Å; R150-F152 HydrophobicContact CB-CE2 3.94Å; R150-F152 HydrophobicContact CB-CZ 4.23Å; R150-F152 HydrophobicContact CG-CD2 4.44Å; R150-F152 HydrophobicContact CG-CE1 4.41Å; R150-F152 HydrophobicContact CG-CE2 3.86Å; R150-F152 HydrophobicContact CG-CZ 3.86Å; F152-D177 WeakPolarHBondContact CA-O 3.46Å; F152-D177 HydrophobicContact CD1-CB 3.86Å; F152-D177 WeakPolarHBondContact CD1-O 3.45Å; F152-D177 HydrophobicContact CE1-CB 3.99Å; F152-Y180 HydrophobicContact CD1-CD2 4.12Å; F152-Y180 AromaticContact CE1-CD2 3.8Å; F152-Y180 HydrophobicContact CE1-CD2 3.8Å; F152-Y180 HydrophobicContact CE1-CG 4.42Å; F152-V191 HydrophobicContact CD1-CG1 4.38Å; F152-V191 HydrophobicContact CE1-CG1 4.24Å; F152-V191 HydrophobicContact CZ-CG1 4.31Å; F152-F193 HydrophobicContact CZ-CB 4.12Å; F152-F193 HydrophobicContact CZ-CD2 4.39Å
153A94.4Very high91.8Very high0 Ų058.9 Ų58.90%033%0.329CS..EExtended strand (participates in β ladder)trans-144.8152.6175.300000112.1A132 A133 D155 F160 S178 S181A132-A153 CarbonylContact O-C 3.51Å; A132-A153 WeakPolarHBondContact O-CA 3.38Å; A133-A153 HydrophobicContact CB-CB 4.05Å; A153-D155 VanDerWaalsContact C-N 3.27Å; A153-D155 WeakPolarHBondContact CB-O 3.31Å; A153-F160 HydrophobicContact CB-CD2 3.9Å; A153-F160 HydrophobicContact CB-CE2 4.03Å; A153-S178 WeakPolarHBondContact O-CA 3.33Å; A153-S178 WeakPolarHBondContact O-CB 3.22Å; A153-S181 VanDerWaalsContact C-OG 3.25Å; A153-S181 WeakPolarHBondContact CA-OG 3.43Å; A153-S181 PolarHBondContact N-OG 3.46Å; A153-S181 VanDerWaalsContact N-OG 3.1Å; A153-S181 WeakPolarHBondContact O-CB 3.39Å; A153-S181 PolarHBondContact O-OG 3.33Å
154Y92.4Very high91.9Very high133 Ų13362.9 Ų62.952%0.52234%0.339SS..SBendtrans-68.7-33.3172177.8-94.9000111.1A132 F182 H227A132-Y154 PolarHBondContact O-N 3.21Å; Y154-F182 HydrophobicContact CD2-CD1 4.33Å; Y154-F182 HydrophobicContact CE2-CD1 4.1Å; Y154-H227 AromaticContact CD2-CE1 3.83Å; Y154-H227 AromaticContact CG-CE1 3.79Å
155D91.3Very high91.8Very high76 Ų7659 Ų5941%0.40632%0.324SS..SBendtrans-131.2106168.7-174.6-32.7000107.1A153 A157 D158 S159A153-D155 VanDerWaalsContact C-N 3.27Å; A153-D155 WeakPolarHBondContact CB-O 3.31Å; D155-A157 PolarHBondContact OD1-N 2.96Å; D155-D158 HydrophobicContact CB-CB 4.1Å; D155-D158 PolarHBondContact OD1-N 3.12Å; D155-S159 WeakPolarHBondContact O-CB 3.32Å; D155-S159 PolarHBondContact O-N 2.9Å; D155-S159 PolarHBondContact O-OG 3.01Å
156C92Very high91.2Very high1 Ų156.9 Ų56.91%0.00732%0.317CS..Hα-helixtrans-69.9-34.8-179.5-75.80000112.1F160 E165 C176C156-F160 CarbonylContact O-C 3.35Å; C156-F160 VanDerWaalsContact O-C 3.23Å; C156-F160 WeakPolarHBondContact O-CA 3.42Å; C156-F160 PolarHBondContact O-N 3.16Å; C156-E165 HydrophobicContact CB-CB 4.2Å; C156-E165 HydrophobicContact CB-CG 4.36Å; C156-C176 HydrophobicContact CB-CB 3.72Å; C156-C176 WeakPolarHBondContact CB-SG 3.29Å; C156-C176 WeakPolarHBondContact SG-CB 3.49Å; C156-C176 CovalentContact SG-SG 2.04Å; C156-C176 PolarHBondContact SG-SG 3.39Å
157A88.9Confident90.7Very high72 Ų7258.5 Ų58.560%0.59533%0.33SS*.Hα-helixtrans-70.4-38.6-178.500000112.3D155D155-A157 PolarHBondContact OD1-N 2.96Å
158D90.6Very high90.3Very high103 Ų10354.1 Ų54.155%0.55131%0.312SS*.Hα-helixtrans-75.9-44.1174.7177.359000112.4D155 K225D155-D158 HydrophobicContact CB-CB 4.1Å; D155-D158 PolarHBondContact OD1-N 3.12Å; D158-K225 IonicContact OD2-NZ 2.67Å; D158-K225 PolarHBondContact OD2-NZ 3Å
159S91.1Very high89.8Confident27 Ų2761.9 Ų61.919%0.18934%0.337CS..Hα-helixtrans-85.6-32.1-170.1-500000114.1D155D155-S159 WeakPolarHBondContact O-CB 3.32Å; D155-S159 PolarHBondContact O-N 2.9Å; D155-S159 PolarHBondContact O-OG 3.01Å
160F93.5Very high89.5Confident26 Ų2668.2 Ų68.211%0.11436%0.36CS..SBendtrans-139.463.2-177.9-60.7-60.4000110.9A133 M134 L135 Y151 A153 C156 G162 I163A133-F160 HydrophobicContact CB-CE2 3.99Å; A133-F160 HydrophobicContact CB-CZ 4.16Å; M134-F160 WeakPolarHBondContact O-CE2 3.48Å; L135-F160 HydrophobicContact CD2-CE1 4.17Å; L135-F160 HydrophobicContact CD2-CZ 4.19Å; Y151-F160 HydrophobicContact CD1-CB 4.25Å; Y151-F160 AromaticContact CD1-CD1 3.49Å; Y151-F160 HydrophobicContact CD1-CD1 3.49Å; Y151-F160 VanDerWaalsContact CD1-CD1 3.49Å; Y151-F160 AromaticContact CD1-CD2 3.78Å; Y151-F160 HydrophobicContact CD1-CD2 3.78Å; Y151-F160 AromaticContact CD1-CE1 3.65Å; Y151-F160 HydrophobicContact CD1-CE1 3.65Å; Y151-F160 AromaticContact CD1-CE2 3.91Å; Y151-F160 HydrophobicContact CD1-CE2 3.91Å; Y151-F160 AromaticContact CD1-CG 3.56Å; Y151-F160 HydrophobicContact CD1-CG 3.56Å; Y151-F160 AromaticContact CD1-CZ 3.85Å; Y151-F160 HydrophobicContact CD1-CZ 3.85Å; Y151-F160 AromaticContact CE1-CD1 3.78Å; Y151-F160 HydrophobicContact CE1-CD1 3.78Å; Y151-F160 HydrophobicContact CE1-CE1 4.01Å; Y151-F160 HydrophobicContact CE1-CG 4.22Å; Y151-F160 HydrophobicContact CG-CD2 4.16Å; Y151-F160 HydrophobicContact CG-CE2 4.48Å; Y151-F160 HydrophobicContact CG-CG 4.17Å; A153-F160 HydrophobicContact CB-CD2 3.9Å; A153-F160 HydrophobicContact CB-CE2 4.03Å; C156-F160 CarbonylContact O-C 3.35Å; C156-F160 VanDerWaalsContact O-C 3.23Å; C156-F160 WeakPolarHBondContact O-CA 3.42Å; C156-F160 PolarHBondContact O-N 3.16Å; F160-G162 PolarHBondContact O-N 2.99Å; F160-I163 HydrophobicContact CB-CB 4.41Å; F160-I163 HydrophobicContact CB-CG1 4.05Å; F160-I163 WeakPolarHBondContact O-CB 3.02Å; F160-I163 PolarHBondContact O-N 3.13Å
161P91.7Very high89Confident99 Ų9968.5 Ų68.564%0.64336%0.362SS*.THydrogen-bonded Turntrans-57.5134.5-174.723.4-34.6000112.2
162G86Confident88.6Confident84 Ų8468.7 Ų68.787%0.86637%0.368SS*.THydrogen-bonded Turntrans90-10.8-179.200000115.2F160F160-G162 PolarHBondContact O-N 2.99Å
163I91.1Very high88.3Confident53 Ų5370.3 Ų70.327%0.27238%0.377SS..SBendtrans-81.6135.2171.6-54.1-56.5000109.9Y151 F160 E165 C176Y151-I163 HydrophobicContact CD2-CB 4.48Å; Y151-I163 HydrophobicContact CD2-CD1 4.36Å; Y151-I163 HydrophobicContact CD2-CG1 4.05Å; Y151-I163 HydrophobicContact CD2-CG2 3.74Å; Y151-I163 HydrophobicContact CE2-CD1 3.76Å; Y151-I163 HydrophobicContact CE2-CG1 3.88Å; Y151-I163 HydrophobicContact CE2-CG2 4.21Å; Y151-I163 HydrophobicContact CG-CG2 4.42Å; F160-I163 HydrophobicContact CB-CB 4.41Å; F160-I163 HydrophobicContact CB-CG1 4.05Å; F160-I163 WeakPolarHBondContact O-CB 3.02Å; F160-I163 PolarHBondContact O-N 3.13Å; I163-E165 PolarHBondContact O-N 3.29Å; I163-C176 HydrophobicContact CB-CB 4.46Å; I163-C176 HydrophobicContact CG2-CB 3.89Å
164F89.6Confident88.1Confident110 Ų11073.3 Ų73.348%0.48240%0.395SS..PPolyproline II helixtrans-67.3126.5179.1179.5-103.2000111.6V175 C176F164-V175 HydrophobicContact CD1-CG1 3.97Å; F164-V175 WeakPolarHBondContact O-CA 3.24Å; F164-C176 PolarHBondContact O-N 3.43Å
165E86.4Confident88.1Confident99 Ų9967.1 Ų67.146%0.46337%0.371SS..BIsolated β-bridgetrans-91.9121.7170.9-177.6169.6-169.800110.2C156 I163 S178C156-E165 HydrophobicContact CB-CB 4.2Å; C156-E165 HydrophobicContact CB-CG 4.36Å; I163-E165 PolarHBondContact O-N 3.29Å; E165-S178 VanDerWaalsContact OE1-CB 3.28Å; E165-S178 WeakPolarHBondContact OE1-CB 3.32Å; E165-S178 PolarHBondContact OE1-OG 3.46Å
166G78.2Confident88.3Confident34 Ų3463.6 Ų63.635%0.35135%0.352SS..SBendtrans153.6-167.9-179.700000113.5
167L81.8Confident88.2Confident97 Ų9763.9 Ų63.951%0.50835%0.354SS..  trans-79.5140.2169.2-65.9172.9000109.7
168P85.3Confident88.3Confident5 Ų561.8 Ų61.83%0.03234%0.335CS..  trans-65.3148.6172.629.6-34.9000110.4D173 V175 S197 H199P168-D173 HydrophobicContact CB-CB 3.83Å; P168-V175 HydrophobicContact CB-CG1 4.06Å; P168-V175 HydrophobicContact CB-CG2 4.48Å; P168-S197 VanDerWaalsContact CG-OG 3.29Å; P168-S197 WeakPolarHBondContact CG-OG 3.45Å; P168-H199 PolarHBondContact O-NE2 3.48Å
169R84.1Confident88.2Confident202 Ų20262.7 Ų62.776%0.76233%0.33SS*.SBendtrans-97.3-31.3179.5-58.2-178.6-177.6-176.81.4112D173R169-D173 WeakPolarHBondContact CA-OD2 3.03Å; R169-D173 WeakPolarHBondContact CB-OD2 3.5Å; R169-D173 PolarHBondContact N-OD2 3.49Å
170R85.8Confident88.2Confident147 Ų14764.4 Ų64.456%0.55533%0.333SS*.SBendtrans-117.3160.1169.2-60.5174.1-63.3166.87.2110.1T172 D173R170-T172 PolarHBondContact O-N 3.36Å; R170-D173 IonicContact CZ-OD1 3.21Å; R170-D173 PolarHBondContact N-OD2 3.46Å; R170-D173 IonicContact NE-OD1 2.69Å; R170-D173 PolarHBondContact NE-OD1 3.27Å; R170-D173 IonicContact NH2-OD1 2.88Å; R170-D173 PolarHBondContact NH2-OD1 2.93Å; R170-D173 PolarHBondContact O-N 3.37Å
171H84.6Confident88.1Confident28 Ų2863.2 Ų63.213%0.1333%0.328CS..THydrogen-bonded Turntrans-59.6-30.9175.6-70.4-80.5000112.9I200 I210 L213H171-I200 WeakPolarHBondContact NE2-CG2 3.48Å; H171-I210 HydrophobicContact CB-CD1 3.87Å; H171-L213 HydrophobicContact CB-CD1 3.74Å; H171-L213 WeakPolarHBondContact O-CD1 3.17Å
172T86.3Confident88Confident46 Ų4663.6 Ų63.628%0.28232%0.32SS..THydrogen-bonded Turntrans-83-6-179.444.40000115R170 V174 E209 L213R170-T172 PolarHBondContact O-N 3.36Å; T172-V174 PolarHBondContact O-N 3.44Å; T172-E209 HydrophobicContact CG2-CB 4.09Å; T172-E209 HydrophobicContact CG2-CG 4.41Å; T172-E209 WeakPolarHBondContact CG2-OE2 3.11Å; T172-E209 PolarHBondContact OG1-OE2 3.4Å; T172-L213 HydrophobicContact CG2-CD1 3.8Å; T172-L213 HydrophobicContact CG2-CG 4.26Å
173D88.7Confident87.9Confident34 Ų3461.7 Ų61.718%0.18229%0.292CS..  trans-74.3119.9-177.3-68.7-21000112.5P168 R169 R170 V175P168-D173 HydrophobicContact CB-CB 3.83Å; R169-D173 WeakPolarHBondContact CA-OD2 3.03Å; R169-D173 WeakPolarHBondContact CB-OD2 3.5Å; R169-D173 PolarHBondContact N-OD2 3.49Å; R170-D173 IonicContact CZ-OD1 3.21Å; R170-D173 PolarHBondContact N-OD2 3.46Å; R170-D173 IonicContact NE-OD1 2.69Å; R170-D173 PolarHBondContact NE-OD1 3.27Å; R170-D173 IonicContact NH2-OD1 2.88Å; R170-D173 PolarHBondContact NH2-OD1 2.93Å; R170-D173 PolarHBondContact O-N 3.37Å; D173-V175 HydrophobicContact CB-CG1 4.46Å; D173-V175 PolarHBondContact O-N 3.47Å
174V91Very high87.4Confident63 Ų6362.6 Ų62.638%0.38231%0.307SS..  trans-84.2114.5175.7-174.60000110.4T148 Y151 T172T148-V174 HydrophobicContact CG2-CG1 4.21Å; T148-V174 WeakPolarHBondContact O-CG2 3.47Å; Y151-V174 HydrophobicContact CD2-CG1 3.84Å; Y151-V174 HydrophobicContact CE2-CG1 3.6Å; T172-V174 PolarHBondContact O-N 3.44Å
175V93.2Very high87.3Confident4 Ų460.4 Ų60.42%0.02430%0.303CS..  trans-123.3165.5-175.3-58.40000112.9Y151 F164 P168 D173Y151-V175 PolarHBondContact N-O 3.32Å; F164-V175 HydrophobicContact CD1-CG1 3.97Å; F164-V175 WeakPolarHBondContact O-CA 3.24Å; P168-V175 HydrophobicContact CB-CG1 4.06Å; P168-V175 HydrophobicContact CB-CG2 4.48Å; D173-V175 HydrophobicContact CB-CG1 4.46Å; D173-V175 PolarHBondContact O-N 3.47Å
176C93.8Very high87Confident1 Ų158 Ų581%0.00730%0.297CS..BIsolated β-bridgetrans-101.9128.7168-171.10000110.9Y151 C156 I163 F164Y151-C176 CarbonylContact O-C 3.59Å; Y151-C176 WeakPolarHBondContact O-CA 3.43Å; C156-C176 HydrophobicContact CB-CB 3.72Å; C156-C176 WeakPolarHBondContact CB-SG 3.29Å; C156-C176 WeakPolarHBondContact SG-CB 3.49Å; C156-C176 CovalentContact SG-SG 2.04Å; C156-C176 PolarHBondContact SG-SG 3.39Å; I163-C176 HydrophobicContact CB-CB 4.46Å; I163-C176 HydrophobicContact CG2-CB 3.89Å; F164-C176 PolarHBondContact O-N 3.43Å
177D91Very high87.4Confident8 Ų859 Ų594%0.04330%0.297CS..  trans-117.6105.3-174.8-169.5-18.2000110.8R150 Y151 F152 R179R150-D177 IonicContact NH1-OD2 2.72Å; Y151-D177 PolarHBondContact O-N 3.17Å; F152-D177 WeakPolarHBondContact CA-O 3.46Å; F152-D177 HydrophobicContact CD1-CB 3.86Å; F152-D177 WeakPolarHBondContact CD1-O 3.45Å; F152-D177 HydrophobicContact CE1-CB 3.99Å; D177-R179 VanDerWaalsContact C-N 3.34Å; D177-R179 WeakPolarHBondContact OD1-CB 3.49Å; D177-R179 WeakPolarHBondContact OD1-CG 3.33Å; D177-R179 IonicContact OD1-CZ 3.09Å; D177-R179 PolarHBondContact OD1-N 3.47Å; D177-R179 IonicContact OD1-NE 3.17Å; D177-R179 PolarHBondContact OD1-NE 2.91Å; D177-R179 IonicContact OD1-NH2 3.1Å; D177-R179 IonicContact OD2-CZ 3.99Å; D177-R179 IonicContact OD2-NE 2.7Å; D177-R179 PolarHBondContact OD2-NE 3.09Å; D177-R179 IonicContact OD2-NH2 2.72Å; D177-R179 PolarHBondContact OD2-NH2 3.48Å
178S90.1Very high87.7Confident27 Ų2756.1 Ų56.119%0.18929%0.291CS..G310 helixtrans-77.9-16-176.4470000114.4A153 E165 Y180 S181A153-S178 WeakPolarHBondContact O-CA 3.33Å; A153-S178 WeakPolarHBondContact O-CB 3.22Å; E165-S178 VanDerWaalsContact OE1-CB 3.28Å; E165-S178 WeakPolarHBondContact OE1-CB 3.32Å; E165-S178 PolarHBondContact OE1-OG 3.46Å; S178-Y180 VanDerWaalsContact C-N 3.26Å; S178-Y180 PolarHBondContact O-N 3.32Å; S178-Y180 VanDerWaalsContact O-N 3.15Å; S178-S181 PolarHBondContact O-N 2.8Å; S178-S181 VanDerWaalsContact O-N 3.1Å
179R89.4Confident87.8Confident123 Ų12355.9 Ų55.946%0.46429%0.29SS..G310 helixtrans-62.5-28.5-172.4-59.2176.3-65175.4-0.5114.2D177 F182D177-R179 VanDerWaalsContact C-N 3.34Å; D177-R179 WeakPolarHBondContact OD1-CB 3.49Å; D177-R179 WeakPolarHBondContact OD1-CG 3.33Å; D177-R179 IonicContact OD1-CZ 3.09Å; D177-R179 PolarHBondContact OD1-N 3.47Å; D177-R179 IonicContact OD1-NE 3.17Å; D177-R179 PolarHBondContact OD1-NE 2.91Å; D177-R179 IonicContact OD1-NH2 3.1Å; D177-R179 IonicContact OD2-CZ 3.99Å; D177-R179 IonicContact OD2-NE 2.7Å; D177-R179 PolarHBondContact OD2-NE 3.09Å; D177-R179 IonicContact OD2-NH2 2.72Å; D177-R179 PolarHBondContact OD2-NH2 3.48Å; R179-F182 WeakPolarHBondContact O-CD2 3.48Å
180Y91.4Very high88.3Confident62 Ų6250.7 Ų50.724%0.24327%0.274CS..G310 helixtrans-99.75.9-177.9-60.9-78.5000113.8R130 F152 S178 E190 V192R130-Y180 WeakPolarHBondContact CD-O 3.24Å; R130-Y180 VanDerWaalsContact CZ-O 3.3Å; R130-Y180 PolarHBondContact NE-O 2.82Å; R130-Y180 VanDerWaalsContact NE-O 3.15Å; F152-Y180 HydrophobicContact CD1-CD2 4.12Å; F152-Y180 AromaticContact CE1-CD2 3.8Å; F152-Y180 HydrophobicContact CE1-CD2 3.8Å; F152-Y180 HydrophobicContact CE1-CG 4.42Å; S178-Y180 VanDerWaalsContact C-N 3.26Å; S178-Y180 PolarHBondContact O-N 3.32Å; S178-Y180 VanDerWaalsContact O-N 3.15Å; Y180-E190 WeakPolarHBondContact CD1-O 3.2Å; Y180-V192 HydrophobicContact CE1-CB 3.95Å; Y180-V192 HydrophobicContact CE1-CG2 4.12Å
181S91.4Very high88.7Confident2 Ų243.8 Ų43.81%0.01425%0.248CC..  trans-1101.4-174.7-49.60000113.8A153 S178 H227A153-S181 VanDerWaalsContact C-OG 3.25Å; A153-S181 WeakPolarHBondContact CA-OG 3.43Å; A153-S181 PolarHBondContact N-OG 3.46Å; A153-S181 VanDerWaalsContact N-OG 3.1Å; A153-S181 WeakPolarHBondContact O-CB 3.39Å; A153-S181 PolarHBondContact O-OG 3.33Å; S178-S181 PolarHBondContact O-N 2.8Å; S178-S181 VanDerWaalsContact O-N 3.1Å; S181-H227 PolarHBondContact O-NE2 2.04Å
182F88.3Confident89.1Confident106 Ų10643.9 Ų43.947%0.46525%0.251SS..  trans-64142.7175.4-65.1-68.7000112.4R130 Y154 R179 A184R130-F182 PolarHBondContact NE-O 3.17Å; R130-F182 PolarHBondContact NH2-O 3.26Å; Y154-F182 HydrophobicContact CD2-CD1 4.33Å; Y154-F182 HydrophobicContact CE2-CD1 4.1Å; R179-F182 WeakPolarHBondContact O-CD2 3.48Å; F182-A184 VanDerWaalsContact C-N 3.25Å; F182-A184 PolarHBondContact O-N 3.48Å
183V84.2Confident89.4Confident45 Ų4541.9 Ų41.927%0.27324%0.238SC..SBendtrans-55.3-37177.2-176.10000112.5F129 P185 L229F129-V183 HydrophobicContact CD1-CG1 3.92Å; F129-V183 VanDerWaalsContact CD1-O 3.23Å; F129-V183 WeakPolarHBondContact CD1-O 3.3Å; F129-V183 HydrophobicContact CE1-CG1 3.8Å; V183-P185 CarbonylContact O-C 3.34Å; V183-L229 HydrophobicContact CG1-CD2 3.71Å
184A80.4Confident89.5Confident72 Ų7245.2 Ų45.260%0.59525%0.251SS*.  trans-89.3141.4177.100000111.3R130 F182R130-A184 PolarHBondContact NH2-O 2.79Å; F182-A184 VanDerWaalsContact C-N 3.25Å; F182-A184 PolarHBondContact O-N 3.48Å
185P87.6Confident89.5Confident63 Ų6342.4 Ų42.441%0.40923%0.234SC..SBendcis-79.2158.2-4.635-36.5000112.6V183 T187V183-P185 CarbonylContact O-C 3.34Å; P185-T187 VanDerWaalsContact C-N 3.29Å; P185-T187 PolarHBondContact O-N 3.19Å
186S80.6Confident89.3Confident48 Ų4844.6 Ų44.634%0.33625%0.245SC..SBendtrans-75.7-12-176.955.90000115.2S128 F129S128-S186 CarbonylContact C-O 3.43Å; F129-S186 VanDerWaalsContact CE1-CB 3.44Å
187T87.1Confident88.9Confident55 Ų5544.8 Ų44.834%0.33725%0.246SC..SBendtrans-158.5153.3172.9-161.40000108K127 P185 G189K127-T187 VanDerWaalsContact O-CB 3.3Å; K127-T187 WeakPolarHBondContact O-CB 3Å; K127-T187 PolarHBondContact O-OG1 3.17Å; P185-T187 VanDerWaalsContact C-N 3.29Å; P185-T187 PolarHBondContact O-N 3.19Å; T187-G189 PolarHBondContact O-N 3.36Å
188G87.4Confident88.4Confident37 Ų3749.5 Ų49.538%0.38128%0.277SS..SBendtrans69.316.2-171.800000113.6F126F126-G188 WeakPolarHBondContact O-CA 3.24Å; F126-G188 PolarHBondContact O-N 2.89Å
189G88.4Confident87.9Confident1 Ų152.7 Ų52.71%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-75.3126177.600000110.7F126 T187F126-G189 WeakPolarHBondContact CB-O 3.03Å; F126-G189 PolarHBondContact N-O 3.03Å; T187-G189 PolarHBondContact O-N 3.36Å
190E93.1Very high87.7Confident93 Ų9348.7 Ų48.744%0.43528%0.277SS..EExtended strand (participates in β ladder)trans-97.8147.3-178.1-61.8-174.6159.500112.5M124 T125 R130 Y180 V192M124-E190 CarbonylContact O-C 3.57Å; M124-E190 VanDerWaalsContact O-CA 3.29Å; M124-E190 WeakPolarHBondContact O-CA 3.17Å; T125-E190 HydrophobicContact CG2-CG 4.14Å; T125-E190 PolarHBondContact OG1-OE1 3.18Å; R130-E190 WeakPolarHBondContact CD-O 3.49Å; R130-E190 PolarHBondContact NH1-O 3.43Å; Y180-E190 WeakPolarHBondContact CD1-O 3.2Å; E190-V192 HydrophobicContact CB-CG2 4.47Å
191V93.9Very high87.1Confident1 Ų154.1 Ų54.11%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-117.9124.1163.3179.50000107M124 F126 R130 M134 F152M124-V191 HydrophobicContact CE-CB 3.99Å; M124-V191 HydrophobicContact CE-CG1 3.91Å; M124-V191 PolarHBondContact N-O 3.01Å; M124-V191 PolarHBondContact O-N 3.11Å; F126-V191 HydrophobicContact CD2-CG2 4.17Å; F126-V191 HydrophobicContact CE2-CB 4.25Å; F126-V191 HydrophobicContact CE2-CG2 3.64Å; R130-V191 HydrophobicContact CB-CG2 4.42Å; R130-V191 HydrophobicContact CG-CG2 4.19Å; M134-V191 HydrophobicContact SD-CG1 4.22Å; M134-V191 HydrophobicContact SD-CG2 4.33Å; F152-V191 HydrophobicContact CD1-CG1 4.38Å; F152-V191 HydrophobicContact CE1-CG1 4.24Å; F152-V191 HydrophobicContact CZ-CG1 4.31Å
192V93.1Very high86.5Confident31 Ų3157.4 Ų57.419%0.18832%0.321CS..EExtended strand (participates in β ladder)trans-122.2122.2-177.2-177.40000109.5L122 I123 Y180 E190L122-V192 WeakPolarHBondContact O-CA 3.41Å; I123-V192 HydrophobicContact CG1-CG1 4.35Å; I123-V192 HydrophobicContact CG1-CG2 4.38Å; Y180-V192 HydrophobicContact CE1-CB 3.95Å; Y180-V192 HydrophobicContact CE1-CG2 4.12Å; E190-V192 HydrophobicContact CB-CG2 4.47Å
193F92.8Very high85.7Confident4 Ų461.6 Ų61.62%0.01834%0.342CS..EExtended strand (participates in β ladder)trans-119128.9172.7174.3-117.4000109.7F119 H121 L122 I136 Y149 R150 F152 V195F119-F193 HydrophobicContact CE1-CD1 4.09Å; F119-F193 AromaticContact CE1-CE1 3.96Å; F119-F193 HydrophobicContact CE1-CE1 3.96Å; F119-F193 HydrophobicContact CZ-CD1 4.22Å; H121-F193 CarbonylContact C-O 3.49Å; H121-F193 WeakPolarHBondContact CA-O 3.4Å; H121-F193 WeakPolarHBondContact CB-O 3.26Å; L122-F193 HydrophobicContact CB-CB 4.48Å; L122-F193 PolarHBondContact N-O 3.49Å; L122-F193 PolarHBondContact O-N 3.36Å; I136-F193 HydrophobicContact CD1-CB 3.58Å; I136-F193 HydrophobicContact CD1-CD1 3.96Å; I136-F193 HydrophobicContact CD1-CG 3.81Å; Y149-F193 HydrophobicContact CD1-CE1 4.01Å; Y149-F193 AromaticContact CD1-CZ 3.8Å; Y149-F193 HydrophobicContact CD1-CZ 3.8Å; Y149-F193 AromaticContact CD2-CE1 3.68Å; Y149-F193 HydrophobicContact CD2-CE1 3.68Å; Y149-F193 HydrophobicContact CD2-CZ 4.26Å; Y149-F193 HydrophobicContact CE2-CE1 4.18Å; Y149-F193 AromaticContact CG-CE1 3.57Å; Y149-F193 HydrophobicContact CG-CE1 3.57Å; Y149-F193 AromaticContact CG-CZ 3.66Å; Y149-F193 HydrophobicContact CG-CZ 3.66Å; R150-F193 HydrophobicContact CB-CD2 3.93Å; R150-F193 HydrophobicContact CB-CE2 3.82Å; F152-F193 HydrophobicContact CZ-CB 4.12Å; F152-F193 HydrophobicContact CZ-CD2 4.39Å; F193-V195 HydrophobicContact CE1-CG2 3.83Å; F193-V195 HydrophobicContact CZ-CG2 4.25Å
194K91.8Very high85.1Confident103 Ų10362.6 Ų62.645%0.44835%0.346SS..EExtended strand (participates in β ladder)trans-114131.7170.1-61.6-174.9175.7-172.90107.7H121 P198H121-K194 HydrophobicContact CB-CB 4.49Å; H121-K194 HydrophobicContact CB-CG 4.06Å; K194-P198 HydrophobicContact CD-CG 4.47Å
195V91Very high84.7Confident5 Ų561.9 Ų61.93%0.0334%0.336CS..SBendtrans-63.7-56.7178.8174.80000109.6F119 T120 Y149 F193 L213 L214F119-V195 HydrophobicContact CD1-CG2 3.38Å; F119-V195 HydrophobicContact CE1-CG2 3.48Å; F119-V195 VanDerWaalsContact CE1-CG2 3.48Å; F119-V195 HydrophobicContact CG-CG2 4.3Å; F119-V195 HydrophobicContact CZ-CG2 4.45Å; F119-V195 WeakPolarHBondContact O-CG2 3.11Å; T120-V195 PolarHBondContact O-N 3.29Å; T120-V195 VanDerWaalsContact O-N 3.08Å; Y149-V195 HydrophobicContact CE1-CG1 4.05Å; Y149-V195 HydrophobicContact CE1-CG2 4.1Å; Y149-V195 HydrophobicContact CE2-CG2 4.47Å; F193-V195 HydrophobicContact CE1-CG2 3.83Å; F193-V195 HydrophobicContact CZ-CG2 4.25Å; V195-L213 HydrophobicContact CG1-CB 3.89Å; V195-L213 VanDerWaalsContact CG1-O 3.32Å; V195-L213 WeakPolarHBondContact CG1-O 3.16Å; V195-L214 HydrophobicContact CG1-CD2 4.16Å
196L89.3Confident84Confident49 Ų4960.1 Ų60.126%0.25732%0.321SS..SBendtrans-82.6122.9173.2-56.9-176.6000110.2L202 I210 L214L196-L202 HydrophobicContact CD1-CD1 4.4Å; L196-L202 HydrophobicContact CD1-CD2 4.06Å; L196-I210 HydrophobicContact CD2-CD1 3.88Å; L196-I210 HydrophobicContact CD2-CG2 4.25Å; L196-L214 HydrophobicContact CD1-CD2 4.26Å; L196-L214 HydrophobicContact CG-CD2 4.16Å
197S84.8Confident84Confident5 Ų559.6 Ų59.64%0.03532%0.317CS..  trans-76.5119178.9-71.90000110.2P168 H199 I200P168-S197 VanDerWaalsContact CG-OG 3.29Å; P168-S197 WeakPolarHBondContact CG-OG 3.45Å; S197-H199 VanDerWaalsContact CB-CE1 3.49Å; S197-H199 WeakPolarHBondContact CB-CE1 3.47Å; S197-H199 PolarHBondContact O-N 3.26Å; S197-I200 PolarHBondContact O-N 3.42Å
198P80.4Confident83.5Confident107 Ų10765.2 Ų65.270%0.69534%0.34SS*.THydrogen-bonded Turntrans-75.38.1-17032.7-38.7000114.7K194K194-P198 HydrophobicContact CD-CG 4.47Å
199H80.1Confident83.2Confident94 Ų9469 Ų6944%0.43535%0.347SS..THydrogen-bonded Turntrans-111.24.8176.767-86.5000112.7P168 S197P168-H199 PolarHBondContact O-NE2 3.48Å; S197-H199 VanDerWaalsContact CB-CE1 3.49Å; S197-H199 WeakPolarHBondContact CB-CE1 3.47Å; S197-H199 PolarHBondContact O-N 3.26Å
200I84.5Confident83.2Confident39 Ų3969.3 Ų69.320%0.235%0.349CS..SBendtrans-116.9134.6174.3-50.1175.9000106.1H171 S197H171-I200 WeakPolarHBondContact NE2-CG2 3.48Å; S197-I200 PolarHBondContact O-N 3.42Å
201E79.2Confident82.6Confident176 Ų17665.9 Ų65.982%0.82233%0.333SS*.  trans-78.1139.4-179.9-168.7160.8-16300110.1
202L77.5Confident82.2Confident71 Ų7167.8 Ų67.837%0.37234%0.343SS..  trans-103.8103.5-175.9-174.573.1000108.8L196 P205 I210L196-L202 HydrophobicContact CD1-CD1 4.4Å; L196-L202 HydrophobicContact CD1-CD2 4.06Å; L202-P205 HydrophobicContact CD2-CB 4Å; L202-I210 HydrophobicContact CD1-CD1 3.53Å; L202-I210 HydrophobicContact CD1-CG1 3.73Å; L202-I210 HydrophobicContact CD1-CG2 4.14Å
203E73.2Confident82Confident194 Ų19467 Ų6791%0.90734%0.337SS*.SBendtrans-74.5-47.6-177.3-64.1179.217300112.2
204D70.8Confident81.8Confident67 Ų6767.8 Ų67.836%0.35834%0.342SS..  trans-134.8115.6177.1172.815.6000110.8Y206 S207D204-Y206 VanDerWaalsContact C-N 3.25Å; D204-Y206 PolarHBondContact O-N 2.68Å; D204-Y206 PolarHBondContact OD1-N 2.97Å; D204-S207 VanDerWaalsContact CG-N 3.34Å; D204-S207 PolarHBondContact O-OG 2.84Å; D204-S207 PolarHBondContact OD1-N 3.14Å; D204-S207 WeakPolarHBondContact OD2-CA 3.17Å; D204-S207 WeakPolarHBondContact OD2-CB 3.42Å; D204-S207 PolarHBondContact OD2-N 3Å
205P71.8Confident81.8Confident57 Ų5767.2 Ų67.237%0.3734%0.337SS..THydrogen-bonded Turntrans-70.3-16.117830.7-35.9000114.3L202 I210 Q211L202-P205 HydrophobicContact CD2-CB 4Å; P205-I210 WeakPolarHBondContact O-CG2 3.34Å; P205-Q211 PolarHBondContact O-NE2 3.2Å
206Y73.3Confident81.8Confident26 Ų2667.1 Ų67.110%0.10234%0.336CS..THydrogen-bonded Turntrans-103.3-2.5-179-71.3-69.6000114.5Y22 D204 Q211 Y260 G261 P316 A317 I318Y22-Y206 WeakPolarHBondContact CE1-OH 3.44Å; Y22-Y206 PolarHBondContact OH-OH 2.87Å; D204-Y206 VanDerWaalsContact C-N 3.25Å; D204-Y206 PolarHBondContact O-N 2.68Å; D204-Y206 PolarHBondContact OD1-N 2.97Å; Y206-Q211 WeakPolarHBondContact O-CG 3.33Å; Y206-Y260 HydrophobicContact CD1-CD1 4.32Å; Y206-Y260 HydrophobicContact CE1-CD1 4.17Å; Y206-Y260 VanDerWaalsContact OH-C 3.3Å; Y206-Y260 PolarHBondContact OH-O 2.84Å; Y206-G261 PolarHBondContact OH-N 2.8Å; Y206-P316 HydrophobicContact CD1-CB 3.72Å; Y206-P316 HydrophobicContact CD1-CG 4.03Å; Y206-P316 HydrophobicContact CD2-CB 4.22Å; Y206-P316 HydrophobicContact CD2-CG 4.25Å; Y206-P316 HydrophobicContact CE1-CB 3.75Å; Y206-P316 HydrophobicContact CE2-CB 4.22Å; Y206-P316 HydrophobicContact CG-CB 3.94Å; Y206-P316 HydrophobicContact CG-CG 3.84Å; Y206-A317 WeakPolarHBondContact CE2-O 3.24Å; Y206-A317 PolarHBondContact OH-O 2.83Å; Y206-I318 HydrophobicContact CD2-CD1 4.1Å; Y206-I318 HydrophobicContact CD2-CG1 3.78Å; Y206-I318 HydrophobicContact CE2-CG1 3.89Å
207S79.7Confident82Confident37 Ų3764.8 Ų64.826%0.25932%0.324SS..SBendtrans-52.3143171.458.90000112.2D204 E209 I210 Q211D204-S207 VanDerWaalsContact CG-N 3.34Å; D204-S207 PolarHBondContact O-OG 2.84Å; D204-S207 PolarHBondContact OD1-N 3.14Å; D204-S207 WeakPolarHBondContact OD2-CA 3.17Å; D204-S207 WeakPolarHBondContact OD2-CB 3.42Å; D204-S207 PolarHBondContact OD2-N 3Å; S207-E209 VanDerWaalsContact C-N 3.27Å; S207-E209 PolarHBondContact O-N 3.19Å; S207-I210 PolarHBondContact O-N 3.5Å; S207-I210 WeakPolarHBondContact OG-CG1 3.28Å; S207-Q211 PolarHBondContact O-N 2.9Å
208E77.3Confident82.4Confident173 Ų17365 Ų6581%0.80833%0.325SS*.Hα-helixtrans-56.8-38.4-173-165.5-173.4171.500112.6I210 Q211 D212E208-I210 VanDerWaalsContact C-N 3.33Å; E208-I210 PolarHBondContact O-N 3.15Å; E208-Q211 PolarHBondContact O-N 2.66Å; E208-D212 WeakPolarHBondContact O-CB 3.11Å; E208-D212 PolarHBondContact O-N 3.41Å
209E82.1Confident83.1Confident115 Ų11560.3 Ų60.354%0.53729%0.294SS..Hα-helixtrans-60.5-39.2174.9-69.5-161-166.900112.8T172 S207 L213T172-E209 HydrophobicContact CG2-CB 4.09Å; T172-E209 HydrophobicContact CG2-CG 4.41Å; T172-E209 WeakPolarHBondContact CG2-OE2 3.11Å; T172-E209 PolarHBondContact OG1-OE2 3.4Å; S207-E209 VanDerWaalsContact C-N 3.27Å; S207-E209 PolarHBondContact O-N 3.19Å; E209-L213 VanDerWaalsContact O-CG 3.28Å; E209-L213 WeakPolarHBondContact O-CG 3.31Å; E209-L213 PolarHBondContact O-N 2.03Å
210I86.8Confident83.8Confident8 Ų858.7 Ų58.74%0.04128%0.284CS..Hα-helixtrans-79.9-39.5-178.3-62.8-64.1000110.8H171 L196 L202 P205 S207 E208 L213 L214H171-I210 HydrophobicContact CB-CD1 3.87Å; L196-I210 HydrophobicContact CD2-CD1 3.88Å; L196-I210 HydrophobicContact CD2-CG2 4.25Å; L202-I210 HydrophobicContact CD1-CD1 3.53Å; L202-I210 HydrophobicContact CD1-CG1 3.73Å; L202-I210 HydrophobicContact CD1-CG2 4.14Å; P205-I210 WeakPolarHBondContact O-CG2 3.34Å; S207-I210 PolarHBondContact O-N 3.5Å; S207-I210 WeakPolarHBondContact OG-CG1 3.28Å; E208-I210 VanDerWaalsContact C-N 3.33Å; E208-I210 PolarHBondContact O-N 3.15Å; I210-L213 HydrophobicContact CD1-CD1 4.48Å; I210-L213 WeakPolarHBondContact O-CB 3.47Å; I210-L213 PolarHBondContact O-N 2.91Å; I210-L214 HydrophobicContact CG2-CD1 3.88Å; I210-L214 HydrophobicContact CG2-CG 4.32Å; I210-L214 WeakPolarHBondContact O-CG 3.37Å; I210-L214 PolarHBondContact O-N 3.41Å
211Q82Confident84.4Confident21 Ų2157 Ų5710%0.09828%0.275CS..Hα-helixtrans-65.7-42.1175.5-70.1-62.3-4800111.8H118 P205 Y206 S207 E208 L213 L214 R215H118-Q211 PolarHBondContact NE2-OE1 3.43Å; P205-Q211 PolarHBondContact O-NE2 3.2Å; Y206-Q211 WeakPolarHBondContact O-CG 3.33Å; S207-Q211 PolarHBondContact O-N 2.9Å; E208-Q211 PolarHBondContact O-N 2.66Å; Q211-L213 VanDerWaalsContact C-N 3.27Å; Q211-L213 PolarHBondContact O-N 2.76Å; Q211-L214 PolarHBondContact O-N 2.9Å; Q211-R215 WeakPolarHBondContact O-CB 3.38Å; Q211-R215 PolarHBondContact O-N 3.3Å
212D84.2Confident85.2Confident41 Ų4150.1 Ų50.122%0.21924%0.244CC..Hα-helixtrans-59.1-39.5170.8-178.554.5000111.1R138 K147 E208R138-D212 IonicContact CZ-OD1 3.57Å; R138-D212 IonicContact CZ-OD2 3.69Å; R138-D212 PolarHBondContact NE-O 2.8Å; R138-D212 PolarHBondContact NH1-O 3.28Å; R138-D212 IonicContact NH1-OD1 2.73Å; R138-D212 PolarHBondContact NH1-OD1 2.04Å; R138-D212 IonicContact NH1-OD2 2.75Å; R138-D212 PolarHBondContact NH1-OD2 3.47Å; R138-D212 VanDerWaalsContact NH2-CG 3.27Å; R138-D212 PolarHBondContact NH2-O 3.39Å; R138-D212 VanDerWaalsContact NH2-O 3.1Å; R138-D212 IonicContact NH2-OD1 2.71Å; R138-D212 IonicContact NH2-OD2 3.79Å; R138-D212 PolarHBondContact NH2-OD2 3.4Å; K147-D212 IonicContact NZ-OD1 3.49Å; K147-D212 PolarHBondContact NZ-OD1 2.03Å; K147-D212 IonicContact NZ-OD2 2.65Å; K147-D212 PolarHBondContact NZ-OD2 3.09Å; E208-D212 WeakPolarHBondContact O-CB 3.11Å; E208-D212 PolarHBondContact O-N 3.41Å
213L89.1Confident86.1Confident14 Ų1446.9 Ų46.97%0.07323%0.227CC..Hα-helixtrans-67.2-40.2177-76.9172.4000114Y149 H171 T172 V195 E209 I210 Q211Y149-L213 HydrophobicContact CE1-CD2 4.3Å; Y149-L213 WeakPolarHBondContact CE1-O 3.08Å; Y149-L213 PolarHBondContact OH-O 2.78Å; H171-L213 HydrophobicContact CB-CD1 3.74Å; H171-L213 WeakPolarHBondContact O-CD1 3.17Å; T172-L213 HydrophobicContact CG2-CD1 3.8Å; T172-L213 HydrophobicContact CG2-CG 4.26Å; V195-L213 HydrophobicContact CG1-CB 3.89Å; V195-L213 VanDerWaalsContact CG1-O 3.32Å; V195-L213 WeakPolarHBondContact CG1-O 3.16Å; E209-L213 VanDerWaalsContact O-CG 3.28Å; E209-L213 WeakPolarHBondContact O-CG 3.31Å; E209-L213 PolarHBondContact O-N 2.03Å; I210-L213 HydrophobicContact CD1-CD1 4.48Å; I210-L213 WeakPolarHBondContact O-CB 3.47Å; I210-L213 PolarHBondContact O-N 2.91Å; Q211-L213 VanDerWaalsContact C-N 3.27Å; Q211-L213 PolarHBondContact O-N 2.76Å
214L90Very high87.1Confident22 Ų2239.6 Ų39.612%0.11520%0.196CC..Hα-helixtrans-80-34.1-177.4-69.3174.5000113.1H118 F119 V195 L196 I210 Q211 V216H118-L214 WeakPolarHBondContact CA-O 3.34Å; F119-L214 PolarHBondContact N-O 2.8Å; F119-L214 WeakPolarHBondContact O-CD2 3.46Å; V195-L214 HydrophobicContact CG1-CD2 4.16Å; L196-L214 HydrophobicContact CD1-CD2 4.26Å; L196-L214 HydrophobicContact CG-CD2 4.16Å; I210-L214 HydrophobicContact CG2-CD1 3.88Å; I210-L214 HydrophobicContact CG2-CG 4.32Å; I210-L214 WeakPolarHBondContact O-CG 3.37Å; I210-L214 PolarHBondContact O-N 3.41Å; Q211-L214 PolarHBondContact O-N 2.9Å; L214-V216 PolarHBondContact O-N 3.2Å
215R90.1Very high88.2Confident90 Ų9039.6 Ų39.634%0.3419%0.193SC..EExtended strand (participates in β ladder)trans-66.8119.2-176.5176.2166.665.5166.80.2112.5E116 S140 Q211E116-R215 VanDerWaalsContact CD-CG 3.47Å; E116-R215 HydrophobicContact CG-CG 3.54Å; E116-R215 WeakPolarHBondContact OE1-CD 3.48Å; E116-R215 WeakPolarHBondContact OE2-CD 3.47Å; E116-R215 IonicContact OE2-NH1 3.42Å; S140-R215 PolarHBondContact OG-O 2.99Å; Q211-R215 WeakPolarHBondContact O-CB 3.38Å; Q211-R215 PolarHBondContact O-N 3.3Å
216V91.9Very high89.1Confident3 Ų337.5 Ų37.52%0.01818%0.179CC..EExtended strand (participates in β ladder)trans-135.8138.4173.973.50000112.9L113 F117 F119 R138 L214 N218L113-V216 HydrophobicContact CD1-CG1 4Å; F117-V216 HydrophobicContact CB-CG1 4.44Å; F117-V216 PolarHBondContact N-O 3.31Å; F117-V216 PolarHBondContact O-N 2.71Å; F119-V216 HydrophobicContact CB-CB 4.26Å; F119-V216 HydrophobicContact CB-CG1 3.44Å; F119-V216 VanDerWaalsContact CB-CG1 3.44Å; F119-V216 HydrophobicContact CG-CG1 4.33Å; R138-V216 HydrophobicContact CB-CG2 4.03Å; L214-V216 PolarHBondContact O-N 3.2Å; V216-N218 WeakPolarHBondContact CG2-O 3.38Å
217T92.7Very high89.9Confident1 Ų137.3 Ų37.31%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-111.2-27.6166.158.30000111.2L113 S139 D141 F142L113-T217 WeakPolarHBondContact CA-O 3.19Å; L113-T217 WeakPolarHBondContact CB-O 3.46Å; L113-T217 WeakPolarHBondContact CG-O 3.44Å; L113-T217 PolarHBondContact N-O 3.42Å; S139-T217 PolarHBondContact O-N 3.49Å; S139-T217 PolarHBondContact O-OG1 3.1Å; S139-T217 PolarHBondContact OG-OG1 2.68Å; D141-T217 PolarHBondContact N-OG1 2.98Å; F142-T217 WeakPolarHBondContact CA-OG1 3.23Å; F142-T217 HydrophobicContact CD1-CG2 4.02Å; F142-T217 HydrophobicContact CD2-CG2 4.12Å; F142-T217 HydrophobicContact CE1-CG2 3.85Å; F142-T217 HydrophobicContact CE2-CG2 3.95Å; F142-T217 HydrophobicContact CG-CG2 4.16Å; F142-T217 HydrophobicContact CZ-CG2 3.81Å; F142-T217 PolarHBondContact N-OG1 3.39Å
218N93.7Very high90.1Very high10 Ų1037.3 Ų37.35%0.05318%0.177CC..EExtended strand (participates in β ladder)trans-145.3142177.8-41.368.8000111.1L111 D112 R138 S139 F142 G143 W146 V216L111-N218 VanDerWaalsContact O-CA 3.3Å; L111-N218 WeakPolarHBondContact O-CA 3.38Å; D112-N218 PolarHBondContact OD1-ND2 3.05Å; R138-N218 WeakPolarHBondContact CA-O 3.4Å; S139-N218 PolarHBondContact N-O 3.32Å; S139-N218 PolarHBondContact O-N 2.72Å; F142-N218 VanDerWaalsContact CA-OD1 3.24Å; F142-N218 WeakPolarHBondContact CA-OD1 3.28Å; G143-N218 PolarHBondContact N-OD1 3.5Å; W146-N218 HydrophobicContact CH2-CB 3.56Å; W146-N218 HydrophobicContact CZ2-CB 4.19Å; W146-N218 HydrophobicContact CZ3-CB 4.22Å; V216-N218 WeakPolarHBondContact CG2-O 3.38Å
219L95.4Very high90.4Very high7 Ų733.6 Ų33.64%0.03716%0.162CC..EExtended strand (participates in β ladder)trans-119.3131.3176.1-168.373.9000109.7R110 L111 F119 L122 I136 Y149 V253R110-L219 WeakPolarHBondContact CA-O 3.44Å; L111-L219 HydrophobicContact CB-CB 4.49Å; L111-L219 PolarHBondContact N-O 2.83Å; L111-L219 PolarHBondContact O-N 3.04Å; F119-L219 HydrophobicContact CE1-CD1 4.15Å; F119-L219 HydrophobicContact CZ-CD1 4.43Å; F119-L219 HydrophobicContact CZ-CD2 4.36Å; L122-L219 HydrophobicContact CD2-CD2 4.47Å; I136-L219 HydrophobicContact CG2-CD1 3.89Å; I136-L219 HydrophobicContact CG2-CG 4.5Å; Y149-L219 HydrophobicContact CD2-CD1 4.31Å; Y149-L219 HydrophobicContact CE2-CD1 4.11Å; L219-V253 HydrophobicContact CD2-CG1 4.31Å; L219-V253 HydrophobicContact CD2-CG2 4.07Å
220R95.2Very high90.2Very high60 Ų6031.8 Ų31.823%0.22617%0.174CC..EExtended strand (participates in β ladder)trans-126.4131.9178.2-178.7170.371.5-153.45.3110.3V109 E137 W146 N222V109-R220 WeakPolarHBondContact O-CA 3.49Å; E137-R220 HydrophobicContact CB-CB 4.46Å; E137-R220 PolarHBondContact N-O 3.46Å; E137-R220 PolarHBondContact O-N 3.47Å; E137-R220 IonicContact OE1-CZ 3.93Å; E137-R220 IonicContact OE1-NE 2.96Å; E137-R220 IonicContact OE1-NH2 3.58Å; E137-R220 PolarHBondContact OE1-NH2 3.37Å; E137-R220 IonicContact OE2-CZ 3.02Å; E137-R220 VanDerWaalsContact OE2-CZ 3.26Å; E137-R220 IonicContact OE2-NE 3.39Å; E137-R220 PolarHBondContact OE2-NE 2.78Å; E137-R220 IonicContact OE2-NH2 2.92Å; E137-R220 PolarHBondContact OE2-NH2 2.96Å; W146-R220 VanDerWaalsContact CD2-CZ 3.43Å; W146-R220 HydrophobicContact CE3-CB 3.87Å; W146-R220 VanDerWaalsContact CG-NH2 3.33Å; W146-R220 HydrophobicContact CH2-CB 3.76Å; W146-R220 HydrophobicContact CZ3-CB 3.26Å; W146-R220 HydrophobicContact CZ3-CG 4.44Å; R220-N222 WeakPolarHBondContact CG-OD1 3.48Å
221I96.9Very high89.9Confident3 Ų333.6 Ų33.62%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-120.7118.2-178.8-58.9153.8000106.6S108 V109 L122 M124 M134 F223 M251S108-I221 CarbonylContact C-O 3.22Å; S108-I221 WeakPolarHBondContact CA-O 3.38Å; V109-I221 PolarHBondContact N-O 2.76Å; V109-I221 PolarHBondContact O-N 2.86Å; L122-I221 HydrophobicContact CD2-CD1 3.81Å; L122-I221 HydrophobicContact CD2-CG1 4.12Å; M124-I221 HydrophobicContact CE-CG2 4.39Å; M124-I221 HydrophobicContact SD-CD1 3.9Å; M124-I221 HydrophobicContact SD-CG2 4.1Å; M134-I221 HydrophobicContact CE-CG2 3.58Å; I221-F223 HydrophobicContact CG2-CD1 4.23Å; I221-F223 HydrophobicContact CG2-CE1 3.49Å; I221-F223 VanDerWaalsContact CG2-CE1 3.49Å; I221-F223 HydrophobicContact CG2-CZ 3.68Å; I221-M251 HydrophobicContact CD1-CE 3.65Å; I221-M251 HydrophobicContact CD1-SD 3.88Å
222N96.1Very high89.7Confident33 Ų3337.3 Ų37.318%0.17621%0.205CC..EExtended strand (participates in β ladder)trans-111116.3-180-59.2-32000109.8S108 M134 L135 E137 R220S108-N222 VanDerWaalsContact CB-OD1 3.23Å; S108-N222 WeakPolarHBondContact CB-OD1 3.34Å; M134-N222 CarbonylContact C-O 2.99Å; M134-N222 WeakPolarHBondContact CA-O 3.4Å; M134-N222 VanDerWaalsContact CB-O 3.25Å; M134-N222 WeakPolarHBondContact CB-O 3.43Å; L135-N222 HydrophobicContact CD2-CB 3.79Å; L135-N222 HydrophobicContact CG-CB 4.12Å; L135-N222 PolarHBondContact N-O 2.89Å; L135-N222 PolarHBondContact O-N 2.8Å; E137-N222 PolarHBondContact OE2-ND2 2.77Å; R220-N222 WeakPolarHBondContact CG-OD1 3.48Å
223F96.5Very high89Confident2 Ų236.9 Ų36.91%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-86.7130.6166.4-46.2-53.7000108.7W98 Q105 N106 V107 V109 M124 F126 P131 M134 I221 Y246 I248W98-F223 HydrophobicContact CH2-CD2 4.23Å; W98-F223 AromaticContact CH2-CE2 3.84Å; W98-F223 HydrophobicContact CH2-CE2 3.84Å; W98-F223 AromaticContact CZ3-CE2 3.81Å; W98-F223 HydrophobicContact CZ3-CE2 3.81Å; Q105-F223 CarbonylContact O-C 3.59Å; N106-F223 WeakPolarHBondContact CA-O 3.32Å; V107-F223 HydrophobicContact CB-CD2 4.2Å; V107-F223 HydrophobicContact CG1-CD2 4.35Å; V107-F223 PolarHBondContact N-O 3.49Å; V107-F223 WeakPolarHBondContact O-CA 3.24Å; V107-F223 WeakPolarHBondContact O-CB 3.3Å; V107-F223 WeakPolarHBondContact O-CD2 3.01Å; V107-F223 PolarHBondContact O-N 3.04Å; V109-F223 HydrophobicContact CG2-CE2 4.05Å; M124-F223 HydrophobicContact SD-CZ 4.49Å; F126-F223 HydrophobicContact CE1-CE1 4.29Å; F126-F223 HydrophobicContact CE1-CZ 4.32Å; F126-F223 AromaticContact CZ-CE1 3.86Å; F126-F223 HydrophobicContact CZ-CE1 3.86Å; F126-F223 HydrophobicContact CZ-CZ 4.1Å; P131-F223 HydrophobicContact CB-CD1 4.23Å; P131-F223 HydrophobicContact CG-CB 4.5Å; P131-F223 HydrophobicContact CG-CD1 3.41Å; P131-F223 VanDerWaalsContact CG-CD1 3.41Å; P131-F223 HydrophobicContact CG-CE1 3.9Å; P131-F223 HydrophobicContact CG-CG 4.16Å; M134-F223 HydrophobicContact CB-CD1 3.88Å; M134-F223 HydrophobicContact CE-CD1 4.3Å; M134-F223 HydrophobicContact CE-CE1 3.94Å; M134-F223 HydrophobicContact SD-CD1 4.1Å; M134-F223 HydrophobicContact SD-CE1 3.99Å; I221-F223 HydrophobicContact CG2-CD1 4.23Å; I221-F223 HydrophobicContact CG2-CE1 3.49Å; I221-F223 VanDerWaalsContact CG2-CE1 3.49Å; I221-F223 HydrophobicContact CG2-CZ 3.68Å; F223-Y246 HydrophobicContact CB-CD1 4.22Å; F223-Y246 HydrophobicContact CB-CD2 4.15Å; F223-Y246 HydrophobicContact CB-CE1 3.76Å; F223-Y246 HydrophobicContact CB-CE2 3.68Å; F223-Y246 HydrophobicContact CB-CG 4.39Å; F223-Y246 VanDerWaalsContact CB-CZ 3.44Å; F223-Y246 HydrophobicContact CD2-CD1 4.45Å; F223-Y246 HydrophobicContact CD2-CD2 4.2Å; F223-Y246 HydrophobicContact CD2-CG 4.13Å; F223-Y246 HydrophobicContact CG-CD1 4.25Å; F223-Y246 HydrophobicContact CG-CD2 4.46Å; F223-Y246 HydrophobicContact CG-CE1 4.25Å; F223-Y246 HydrophobicContact CG-CE2 4.44Å; F223-Y246 HydrophobicContact CG-CG 4.34Å; F223-I248 HydrophobicContact CE2-CD1 4.25Å; F223-I248 HydrophobicContact CZ-CD1 3.85Å
224T94.3Very high88.3Confident41 Ų4143.3 Ų43.325%0.25224%0.236SC..EExtended strand (participates in β ladder)trans-123-18.6-171.957.90000113.6N106 A133 L135N106-T224 PolarHBondContact OD1-O 2.87Å; A133-T224 VanDerWaalsContact C-OG1 3.32Å; A133-T224 WeakPolarHBondContact CB-OG1 3.49Å; A133-T224 PolarHBondContact O-N 3.44Å; A133-T224 PolarHBondContact O-OG1 2.8Å; L135-T224 HydrophobicContact CD2-CG2 3.98Å
225K93.1Very high87.5Confident68 Ų6844.6 Ų44.630%0.29624%0.243SC..EExtended strand (participates in β ladder)trans-149.6134.2-178.1-155.9167.6-179.1171.60111.7A132 A133 D158 Y246A132-K225 HydrophobicContact CB-CB 4.13Å; A132-K225 HydrophobicContact CB-CG 4.2Å; A132-K225 WeakPolarHBondContact CB-O 3.34Å; A132-K225 PolarHBondContact N-O 2.9Å; A133-K225 HydrophobicContact CB-CB 3.7Å; A133-K225 HydrophobicContact CB-CD 4.42Å; A133-K225 PolarHBondContact N-O 3.11Å; A133-K225 PolarHBondContact O-N 2.84Å; D158-K225 IonicContact OD2-NZ 2.67Å; D158-K225 PolarHBondContact OD2-NZ 3Å; K225-Y246 PolarHBondContact N-OH 2.82Å; K225-Y246 PolarHBondContact O-OH 3.06Å
226L91.3Very high86.7Confident13 Ų1346.9 Ų46.97%0.06826%0.262CS..  trans-92.8148.1175.7-77.9164.7000111.1Q105 T228 L233 Y246Q105-L226 HydrophobicContact CG-CB 4.36Å; Q105-L226 HydrophobicContact CG-CD1 4.16Å; Q105-L226 HydrophobicContact CG-CG 4.34Å; L226-T228 PolarHBondContact O-N 3.35Å; L226-L233 HydrophobicContact CB-CD1 4.48Å; L226-L233 HydrophobicContact CD1-CD1 4.36Å; L226-Y246 HydrophobicContact CD2-CD1 3.76Å; L226-Y246 HydrophobicContact CD2-CD2 4.14Å; L226-Y246 HydrophobicContact CD2-CE1 3.44Å; L226-Y246 VanDerWaalsContact CD2-CE1 3.44Å; L226-Y246 HydrophobicContact CD2-CE2 3.87Å; L226-Y246 HydrophobicContact CD2-CG 4.1Å; L226-Y246 HydrophobicContact CG-CE1 4.05Å; L226-Y246 HydrophobicContact CG-CE2 4.03Å
227H89.8Confident86.1Confident21 Ų2153.2 Ų53.210%0.09729%0.285CS..  trans-76.6115.1165.5-85.3-54.3000110.2F129 R130 Y154 S181 Y244F129-H227 HydrophobicContact CB-CB 4.38Å; R130-H227 PolarHBondContact O-CD2 3.06Å; Y154-H227 AromaticContact CD2-CE1 3.83Å; Y154-H227 AromaticContact CG-CE1 3.79Å; S181-H227 PolarHBondContact O-NE2 2.04Å; H227-Y244 WeakPolarHBondContact O-CD1 3.17Å; H227-Y244 WeakPolarHBondContact O-CE1 3.17Å
228T84.3Confident85.2Confident37 Ų3756.4 Ų56.423%0.22731%0.306CS..  trans-103.80.7-174.474.70000114.6L226 G230 D231 L233 Y244L226-T228 PolarHBondContact O-N 3.35Å; T228-G230 PolarHBondContact O-N 3.02Å; T228-D231 WeakPolarHBondContact CB-O 3.46Å; T228-D231 WeakPolarHBondContact O-CB 2.71Å; T228-D231 PolarHBondContact O-N 3.19Å; T228-D231 PolarHBondContact OG1-O 3.27Å; T228-L233 HydrophobicContact CG2-CD1 3.69Å; T228-L233 HydrophobicContact CG2-CD2 4.43Å; T228-L233 HydrophobicContact CG2-CG 3.73Å; T228-Y244 VanDerWaalsContact O-CZ 3.29Å; T228-Y244 PolarHBondContact O-OH 3.06Å
229L82.6Confident84.2Confident95 Ų9560.7 Ų60.750%0.49733%0.326SS..THydrogen-bonded Turntrans51.324.7178.5-53.8178.7000115.3V53 F129 V183 Y244V53-L229 HydrophobicContact CG1-CD1 3.78Å; F129-L229 HydrophobicContact CE2-CD1 3.91Å; F129-L229 HydrophobicContact CE2-CG 4.38Å; F129-L229 HydrophobicContact CZ-CD1 3.86Å; F129-L229 HydrophobicContact CZ-CD2 4.35Å; F129-L229 HydrophobicContact CZ-CG 4.48Å; V183-L229 HydrophobicContact CG1-CD2 3.71Å; L229-Y244 HydrophobicContact CG-CE1 4.5Å
230G77.9Confident83.5Confident77 Ų7761 Ų6179%0.79433%0.327SS*.THydrogen-bonded Turntrans91.7-9.7-175.900000115.3T228T228-G230 PolarHBondContact O-N 3.02Å
231D80.5Confident82.8Confident47 Ų4759.5 Ų59.525%0.25133%0.325SS..  trans-68.2146.7166.5-73.4-31.2000109.7T228 I240 K243 Y244T228-D231 WeakPolarHBondContact CB-O 3.46Å; T228-D231 WeakPolarHBondContact O-CB 2.71Å; T228-D231 PolarHBondContact O-N 3.19Å; T228-D231 PolarHBondContact OG1-O 3.27Å; D231-I240 HydrophobicContact CB-CG2 4.04Å; D231-K243 IonicContact OD2-NZ 3.64Å; D231-K243 PolarHBondContact OD2-NZ 3.22Å; D231-Y244 HydrophobicContact CB-CE2 3.76Å; D231-Y244 WeakPolarHBondContact OD2-CE2 3.41Å; D231-Y244 PolarHBondContact OD2-OH 3.27Å
232N77.9Confident82.4Confident98 Ų9860.4 Ų60.452%0.52433%0.329SS..  trans-97.4120176.5-174.4-7000110.2L234 D235N232-L234 PolarHBondContact O-N 3.25Å; N232-L234 WeakPolarHBondContact OD1-CB 3.4Å; N232-L234 WeakPolarHBondContact OD1-CG 3.33Å; N232-L234 PolarHBondContact OD1-N 3.03Å; N232-D235 VanDerWaalsContact O-CB 3.29Å; N232-D235 WeakPolarHBondContact O-CB 3.4Å; N232-D235 PolarHBondContact O-N 3.22Å
233L70.7Confident81.8Confident33 Ų3360.9 Ų60.917%0.17333%0.33CS..THydrogen-bonded Turntrans-68.2-12178.5-69.7174.4000114.1Q105 L226 T228 D235 Y244Q105-L233 HydrophobicContact CG-CD1 3.86Å; L226-L233 HydrophobicContact CB-CD1 4.48Å; L226-L233 HydrophobicContact CD1-CD1 4.36Å; T228-L233 HydrophobicContact CG2-CD1 3.69Å; T228-L233 HydrophobicContact CG2-CD2 4.43Å; T228-L233 HydrophobicContact CG2-CG 3.73Å; L233-D235 PolarHBondContact O-N 3.47Å; L233-Y244 HydrophobicContact CD2-CD2 3.73Å; L233-Y244 HydrophobicContact CD2-CG 4.19Å
234L73.4Confident81.5Confident148 Ų14861.1 Ų61.178%0.77533%0.33SS*.THydrogen-bonded Turntrans-70.1-13.3168.5-60.9171.8000112.5N232 N236N232-L234 PolarHBondContact O-N 3.25Å; N232-L234 WeakPolarHBondContact OD1-CB 3.4Å; N232-L234 WeakPolarHBondContact OD1-CG 3.33Å; N232-L234 PolarHBondContact OD1-N 3.03Å; L234-N236 PolarHBondContact O-N 2.98Å
235D74Confident81.4Confident49 Ų4959.9 Ų59.926%0.26232%0.321SS..  trans-83.795.7172-167.1-25.8000110.2N232 L233 R237 I240N232-D235 VanDerWaalsContact O-CB 3.29Å; N232-D235 WeakPolarHBondContact O-CB 3.4Å; N232-D235 PolarHBondContact O-N 3.22Å; L233-D235 PolarHBondContact O-N 3.47Å; D235-R237 PolarHBondContact O-N 3.14Å; D235-R237 VanDerWaalsContact OD1-CB 3.28Å; D235-R237 WeakPolarHBondContact OD1-CB 2.95Å; D235-R237 WeakPolarHBondContact OD1-CG 3.5Å; D235-R237 IonicContact OD1-CZ 3.37Å; D235-R237 PolarHBondContact OD1-N 2.99Å; D235-R237 IonicContact OD1-NE 3.92Å; D235-R237 PolarHBondContact OD1-NE 2.87Å; D235-R237 IonicContact OD2-CZ 3.43Å; D235-R237 VanDerWaalsContact OD2-CZ 3.24Å; D235-R237 IonicContact OD2-NE 2.68Å; D235-R237 PolarHBondContact OD2-NE 2.97Å; D235-R237 IonicContact OD2-NH2 2.67Å; D235-R237 PolarHBondContact OD2-NH2 3.43Å; D235-I240 HydrophobicContact CB-CD1 3.73Å; D235-I240 VanDerWaalsContact CG-CD1 3.45Å; D235-I240 VanDerWaalsContact OD2-CD1 3.29Å; D235-I240 WeakPolarHBondContact OD2-CD1 3.21Å
236N73.5Confident81.5Confident138 Ų13856.7 Ų56.774%0.73831%0.308SS*.  trans-66.24.4-177.6-70.3-34.7000114.9L234L234-N236 PolarHBondContact O-N 2.98Å
237R78Confident81.7Confident136 Ų13656.1 Ų56.151%0.51330%0.304SS..  trans-59.8132.4176.6-79-175.6-65.4161.80.2111.2D235 E239 I240 T241D235-R237 PolarHBondContact O-N 3.14Å; D235-R237 VanDerWaalsContact OD1-CB 3.28Å; D235-R237 WeakPolarHBondContact OD1-CB 2.95Å; D235-R237 WeakPolarHBondContact OD1-CG 3.5Å; D235-R237 IonicContact OD1-CZ 3.37Å; D235-R237 PolarHBondContact OD1-N 2.99Å; D235-R237 IonicContact OD1-NE 3.92Å; D235-R237 PolarHBondContact OD1-NE 2.87Å; D235-R237 IonicContact OD2-CZ 3.43Å; D235-R237 VanDerWaalsContact OD2-CZ 3.24Å; D235-R237 IonicContact OD2-NE 2.68Å; D235-R237 PolarHBondContact OD2-NE 2.97Å; D235-R237 IonicContact OD2-NH2 2.67Å; D235-R237 PolarHBondContact OD2-NH2 3.43Å; R237-E239 PolarHBondContact O-N 2.91Å; R237-E239 VanDerWaalsContact O-N 3.12Å; R237-I240 PolarHBondContact O-N 3.3Å; R237-T241 PolarHBondContact O-N 3.45Å; R237-T241 VanDerWaalsContact O-N 3.1Å; R237-T241 PolarHBondContact O-OG1 3.26Å
238P75.1Confident81.9Confident68 Ų6855.1 Ų55.144%0.44230%0.3SS..Hα-helixtrans-54-34177.1-26.534.9000112.9I240 E242P238-I240 PolarHBondContact O-N 3.32Å; P238-I240 VanDerWaalsContact O-N 3.07Å; P238-E242 HydrophobicContact CB-CG 4.28Å; P238-E242 WeakPolarHBondContact O-CB 3.14Å; P238-E242 WeakPolarHBondContact O-CG 3.43Å; P238-E242 PolarHBondContact O-N 2.66Å
239E72.3Confident82.3Confident100 Ų10055.4 Ų55.447%0.46730%0.297SS..Hα-helixtrans-65.1-11.1178.9-5988.7164.200114.8R237 K243R237-E239 PolarHBondContact O-N 2.91Å; R237-E239 VanDerWaalsContact O-N 3.12Å; E239-K243 WeakPolarHBondContact O-CE 3.21Å
240I79.8Confident82.7Confident13 Ų1351.8 Ų51.87%0.06728%0.277CS..Hα-helixtrans-107.5-53.6174.3-71.9166.5000109.6D231 D235 R237 P238 E242 K243 Y244D231-I240 HydrophobicContact CB-CG2 4.04Å; D235-I240 HydrophobicContact CB-CD1 3.73Å; D235-I240 VanDerWaalsContact CG-CD1 3.45Å; D235-I240 VanDerWaalsContact OD2-CD1 3.29Å; D235-I240 WeakPolarHBondContact OD2-CD1 3.21Å; R237-I240 PolarHBondContact O-N 3.3Å; P238-I240 PolarHBondContact O-N 3.32Å; P238-I240 VanDerWaalsContact O-N 3.07Å; I240-E242 PolarHBondContact O-N 3.02Å; I240-K243 PolarHBondContact O-N 3.2Å; I240-Y244 HydrophobicContact CG2-CD2 4.47Å; I240-Y244 HydrophobicContact CG2-CE2 4.22Å; I240-Y244 VanDerWaalsContact O-CD2 3.25Å; I240-Y244 WeakPolarHBondContact O-CD2 3.1Å
241T81.5Confident83.4Confident30 Ų3048.2 Ų48.218%0.18424%0.24CC..Hα-helixtrans-64.5-36.3-174.956.10000113.1N102 R237 K243 Y244N102-T241 WeakPolarHBondContact CB-O 3.43Å; R237-T241 PolarHBondContact O-N 3.45Å; R237-T241 VanDerWaalsContact O-N 3.1Å; R237-T241 PolarHBondContact O-OG1 3.26Å; T241-K243 PolarHBondContact O-N 3.29Å; T241-Y244 PolarHBondContact O-N 3.48Å
242E87.5Confident84Confident21 Ų2147.3 Ų47.310%0.09824%0.236CC..THydrogen-bonded Turntrans-62.2-12.8178.9-69.5178.6175.500114.5R49 C51 P238 I240R49-E242 VanDerWaalsContact CD-OE1 3.28Å; R49-E242 WeakPolarHBondContact CD-OE1 3.49Å; R49-E242 IonicContact CZ-OE1 2.72Å; R49-E242 IonicContact CZ-OE2 2.76Å; R49-E242 VanDerWaalsContact CZ-OE2 3.23Å; R49-E242 VanDerWaalsContact NE-CD 3.26Å; R49-E242 IonicContact NE-OE1 3.5Å; R49-E242 PolarHBondContact NE-OE1 3.36Å; R49-E242 IonicContact NE-OE2 3.84Å; R49-E242 PolarHBondContact NE-OE2 2.95Å; R49-E242 IonicContact NH2-OE1 3.74Å; R49-E242 IonicContact NH2-OE2 3.32Å; R49-E242 PolarHBondContact NH2-OE2 3.5Å; C51-E242 PolarHBondContact N-O 3.15Å; C51-E242 PolarHBondContact SG-OE2 3.13Å; P238-E242 HydrophobicContact CB-CG 4.28Å; P238-E242 WeakPolarHBondContact O-CB 3.14Å; P238-E242 WeakPolarHBondContact O-CG 3.43Å; P238-E242 PolarHBondContact O-N 2.66Å; I240-E242 PolarHBondContact O-N 3.02Å
243K84.2Confident84.7Confident43 Ų4342.8 Ų42.819%0.18721%0.212CC..THydrogen-bonded Turntrans-89.7-24.8-179-59.5179-166.51510114.6V53 D231 E239 I240 T241V53-K243 HydrophobicContact CG2-CB 3.98Å; V53-K243 HydrophobicContact CG2-CG 4.5Å; D231-K243 IonicContact OD2-NZ 3.64Å; D231-K243 PolarHBondContact OD2-NZ 3.22Å; E239-K243 WeakPolarHBondContact O-CE 3.21Å; I240-K243 PolarHBondContact O-N 3.2Å; T241-K243 PolarHBondContact O-N 3.29Å
244Y89.8Confident85.7Confident7 Ų746.4 Ų46.43%0.02722%0.224CC..  trans-114.2112.5-163.3-60.8-59.9000110.7N102 G103 H227 T228 L229 D231 L233 I240 T241N102-Y244 CarbonylContact C-O 3.46Å; G103-Y244 PolarHBondContact N-O 3.24Å; H227-Y244 WeakPolarHBondContact O-CD1 3.17Å; H227-Y244 WeakPolarHBondContact O-CE1 3.17Å; T228-Y244 VanDerWaalsContact O-CZ 3.29Å; T228-Y244 PolarHBondContact O-OH 3.06Å; L229-Y244 HydrophobicContact CG-CE1 4.5Å; D231-Y244 HydrophobicContact CB-CE2 3.76Å; D231-Y244 WeakPolarHBondContact OD2-CE2 3.41Å; D231-Y244 PolarHBondContact OD2-OH 3.27Å; L233-Y244 HydrophobicContact CD2-CD2 3.73Å; L233-Y244 HydrophobicContact CD2-CG 4.19Å; I240-Y244 HydrophobicContact CG2-CD2 4.47Å; I240-Y244 HydrophobicContact CG2-CE2 4.22Å; I240-Y244 VanDerWaalsContact O-CD2 3.25Å; I240-Y244 WeakPolarHBondContact O-CD2 3.1Å; T241-Y244 PolarHBondContact O-N 3.48Å
245Y92.8Very high86.6Confident16 Ų1639.3 Ų39.36%0.06319%0.187CC..  trans-161.7159.1-179.448-96.7000108.8Y50 C51 Q99 S128 A247Y50-Y245 HydrophobicContact CD2-CE1 4.07Å; Y50-Y245 AromaticContact CD2-CZ 3.86Å; Y50-Y245 HydrophobicContact CG-CE1 4.46Å; C51-Y245 PolarHBondContact O-OH 3.45Å; Q99-Y245 HydrophobicContact CG-CD2 3.71Å; Q99-Y245 HydrophobicContact CG-CE2 4.23Å; Q99-Y245 HydrophobicContact CG-CG 4.18Å; S128-Y245 VanDerWaalsContact CB-O 3.32Å; S128-Y245 WeakPolarHBondContact CB-O 3.18Å; Y245-A247 HydrophobicContact CD2-CB 4.05Å; Y245-A247 HydrophobicContact CE2-CB 4.08Å
246Y95Very high87.4Confident1 Ų137.8 Ų37.80%0.00418%0.179CC..  trans-85.9136.6166.6-54.7-73.2000109.2Q99 S100 L104 Q105 V107 P131 F223 K225 L226Q99-Y246 CarbonylContact C-O 3.51Å; Q99-Y246 WeakPolarHBondContact CA-O 3.39Å; S100-Y246 PolarHBondContact N-O 2.82Å; S100-Y246 PolarHBondContact OG-N 3.15Å; L104-Y246 WeakPolarHBondContact O-CE2 3.18Å; Q105-Y246 VanDerWaalsContact O-CE2 3.24Å; Q105-Y246 WeakPolarHBondContact O-CE2 3.04Å; Q105-Y246 PolarHBondContact O-OH 3.28Å; V107-Y246 HydrophobicContact CB-CD2 3.99Å; V107-Y246 HydrophobicContact CB-CE2 4.11Å; V107-Y246 HydrophobicContact CG2-CD2 3.86Å; V107-Y246 HydrophobicContact CG2-CE2 3.93Å; P131-Y246 HydrophobicContact CB-CD1 4.48Å; P131-Y246 HydrophobicContact CB-CE1 3.86Å; P131-Y246 HydrophobicContact CG-CD1 4.06Å; P131-Y246 HydrophobicContact CG-CE1 3.92Å; F223-Y246 HydrophobicContact CB-CD1 4.22Å; F223-Y246 HydrophobicContact CB-CD2 4.15Å; F223-Y246 HydrophobicContact CB-CE1 3.76Å; F223-Y246 HydrophobicContact CB-CE2 3.68Å; F223-Y246 HydrophobicContact CB-CG 4.39Å; F223-Y246 VanDerWaalsContact CB-CZ 3.44Å; F223-Y246 HydrophobicContact CD2-CD1 4.45Å; F223-Y246 HydrophobicContact CD2-CD2 4.2Å; F223-Y246 HydrophobicContact CD2-CG 4.13Å; F223-Y246 HydrophobicContact CG-CD1 4.25Å; F223-Y246 HydrophobicContact CG-CD2 4.46Å; F223-Y246 HydrophobicContact CG-CE1 4.25Å; F223-Y246 HydrophobicContact CG-CE2 4.44Å; F223-Y246 HydrophobicContact CG-CG 4.34Å; K225-Y246 PolarHBondContact N-OH 2.82Å; K225-Y246 PolarHBondContact O-OH 3.06Å; L226-Y246 HydrophobicContact CD2-CD1 3.76Å; L226-Y246 HydrophobicContact CD2-CD2 4.14Å; L226-Y246 HydrophobicContact CD2-CE1 3.44Å; L226-Y246 VanDerWaalsContact CD2-CE1 3.44Å; L226-Y246 HydrophobicContact CD2-CE2 3.87Å; L226-Y246 HydrophobicContact CD2-CG 4.1Å; L226-Y246 HydrophobicContact CG-CE1 4.05Å; L226-Y246 HydrophobicContact CG-CE2 4.03Å
247A94.3Very high88.2Confident0 Ų031.2 Ų31.20%015%0.145CC..EExtended strand (participates in β ladder)trans-142.9135.1169.400000111.1W98 Q99 F126 K127 S128 Y245W98-A247 CarbonylContact O-C 3.6Å; W98-A247 WeakPolarHBondContact O-CA 3.13Å; W98-A247 WeakPolarHBondContact O-CB 3.01Å; Q99-A247 HydrophobicContact CB-CB 4.07Å; Q99-A247 HydrophobicContact CG-CB 4.18Å; F126-A247 CarbonylContact C-O 3.58Å; F126-A247 WeakPolarHBondContact CA-O 3.38Å; F126-A247 WeakPolarHBondContact CD1-O 3.46Å; K127-A247 HydrophobicContact CB-CB 3.8Å; K127-A247 HydrophobicContact CD-CB 4.27Å; K127-A247 HydrophobicContact CG-CB 4.22Å; K127-A247 PolarHBondContact N-O 3.02Å; S128-A247 PolarHBondContact N-O 2.98Å; S128-A247 PolarHBondContact OG-N 3.2Å; S128-A247 PolarHBondContact OG-O 3.31Å; Y245-A247 HydrophobicContact CD2-CB 4.05Å; Y245-A247 HydrophobicContact CE2-CB 4.08Å
248I94.8Very high88.8Confident0 Ų024.8 Ų24.80%012%0.12CC..EExtended strand (participates in β ladder)trans-123.5122.5-175-60.7174.5000109.1V85 W97 W98 F126 F223 E250 M251V85-I248 HydrophobicContact CB-CG2 4.36Å; V85-I248 HydrophobicContact CG1-CB 4.05Å; V85-I248 HydrophobicContact CG1-CG2 3.94Å; W97-I248 CarbonylContact C-O 3.53Å; W97-I248 WeakPolarHBondContact CA-O 3.18Å; W97-I248 WeakPolarHBondContact CB-O 3.36Å; W98-I248 HydrophobicContact CE3-CB 4.12Å; W98-I248 HydrophobicContact CE3-CD1 3.74Å; W98-I248 HydrophobicContact CE3-CG1 3.83Å; W98-I248 HydrophobicContact CZ3-CD1 3.69Å; W98-I248 HydrophobicContact CZ3-CG1 3.98Å; W98-I248 PolarHBondContact N-O 2.95Å; W98-I248 PolarHBondContact O-N 3.34Å; F126-I248 HydrophobicContact CD1-CG1 3.87Å; F126-I248 HydrophobicContact CE1-CD1 4.05Å; F126-I248 HydrophobicContact CE1-CG1 3.66Å; F126-I248 HydrophobicContact CG-CG1 4.48Å; F126-I248 HydrophobicContact CZ-CD1 4.15Å; F126-I248 HydrophobicContact CZ-CG1 4.11Å; F223-I248 HydrophobicContact CE2-CD1 4.25Å; F223-I248 HydrophobicContact CZ-CD1 3.85Å; I248-E250 VanDerWaalsContact CG2-O 3.29Å; I248-E250 WeakPolarHBondContact CG2-O 3.47Å; I248-M251 HydrophobicContact CD1-CE 4.16Å
249Y92.3Very high89.5Confident44 Ų4421.7 Ų21.717%0.17310%0.1CC..EExtended strand (participates in β ladder)trans-71-52.8173-77.5-60.3000111.3W97 T125 K127W97-Y249 HydrophobicContact CB-CD1 4.12Å; T125-Y249 PolarHBondContact O-N 3.14Å; K127-Y249 VanDerWaalsContact CA-CE2 3.42Å; K127-Y249 HydrophobicContact CB-CD1 4.16Å; K127-Y249 HydrophobicContact CB-CD2 3.77Å; K127-Y249 HydrophobicContact CB-CE1 3.98Å; K127-Y249 HydrophobicContact CB-CE2 3.59Å; K127-Y249 HydrophobicContact CB-CG 4.05Å; K127-Y249 HydrophobicContact CD-CE1 3.91Å; K127-Y249 HydrophobicContact CG-CE1 3.96Å; K127-Y249 HydrophobicContact CG-CE2 3.95Å; K127-Y249 PolarHBondContact NZ-OH 2.96Å
250E91.5Very high90.3Very high18 Ų1818.5 Ų18.58%0.0848%0.084CC..EExtended strand (participates in β ladder)trans-140.6142.1-174-176.5170.8-158.400110.3V85 S87 R93 T125 I248 V252V85-E250 WeakPolarHBondContact O-CA 3.49Å; S87-E250 WeakPolarHBondContact CB-OE1 3.31Å; S87-E250 PolarHBondContact OG-OE1 2.86Å; R93-E250 WeakPolarHBondContact CD-OE2 3.4Å; R93-E250 WeakPolarHBondContact CG-OE2 3.12Å; R93-E250 IonicContact CZ-OE1 3.3Å; R93-E250 VanDerWaalsContact CZ-OE1 3.22Å; R93-E250 IonicContact CZ-OE2 3.86Å; R93-E250 VanDerWaalsContact CZ-OE2 3.3Å; R93-E250 IonicContact NE-OE1 3.81Å; R93-E250 PolarHBondContact NE-OE1 2.99Å; R93-E250 IonicContact NE-OE2 3.23Å; R93-E250 PolarHBondContact NE-OE2 3.08Å; R93-E250 IonicContact NH1-OE2 3.63Å; R93-E250 IonicContact NH2-OE1 3.58Å; R93-E250 PolarHBondContact NH2-OE1 3.35Å; R93-E250 IonicContact NH2-OE2 3.11Å; T125-E250 PolarHBondContact N-O 3.42Å; I248-E250 VanDerWaalsContact CG2-O 3.29Å; I248-E250 WeakPolarHBondContact CG2-O 3.47Å; E250-V252 HydrophobicContact CG-CG2 3.96Å
251M93Very high90.7Very high3 Ų318 Ų182%0.0158%0.082CC..EExtended strand (participates in β ladder)trans-124133.9166.5-171.2-179-67.600108.5L29 V85 V109 L122 I123 M124 I221 I248 V253L29-M251 HydrophobicContact CD1-CB 3.85Å; L29-M251 HydrophobicContact CD1-CG 3.81Å; L29-M251 WeakPolarHBondContact CD1-O 3.47Å; L29-M251 HydrophobicContact CD1-SD 4.21Å; V85-M251 HydrophobicContact CB-CB 4.04Å; V85-M251 HydrophobicContact CG2-CB 3.75Å; V85-M251 PolarHBondContact O-N 2.57Å; V109-M251 HydrophobicContact CG1-CE 4.06Å; L122-M251 HydrophobicContact CD1-CG 3.67Å; L122-M251 HydrophobicContact CD1-SD 4.19Å; I123-M251 WeakPolarHBondContact O-CA 3.49Å; M124-M251 HydrophobicContact CG-CE 4.03Å; M124-M251 HydrophobicContact CG-CG 3.99Å; M124-M251 HydrophobicContact SD-CE 3.98Å; I221-M251 HydrophobicContact CD1-CE 3.65Å; I221-M251 HydrophobicContact CD1-SD 3.88Å; I248-M251 HydrophobicContact CD1-CE 4.16Å; M251-V253 HydrophobicContact CG-CG2 4.45Å; M251-V253 HydrophobicContact SD-CG2 4.44Å
252V92Very high91.2Very high28 Ų2816.5 Ų16.517%0.177%0.073CC..EExtended strand (participates in β ladder)trans-126.8113.9175.5-176.20000108.4N27 L122 I123 E250N27-V252 HydrophobicContact CB-CG1 4.24Å; L122-V252 WeakPolarHBondContact CA-O 3.19Å; I123-V252 HydrophobicContact CB-CB 4.47Å; I123-V252 PolarHBondContact N-O 3.26Å; I123-V252 PolarHBondContact O-N 3.21Å; E250-V252 HydrophobicContact CG-CG2 3.96Å
253V93.7Very high91.3Very high3 Ų315.5 Ų15.52%0.0187%0.068CC..EExtended strand (participates in β ladder)trans-102.695.4174.5177.90000106.2N27 L28 L29 L111 F119 L122 L219 M251N27-V253 CarbonylContact C-O 3.44Å; N27-V253 WeakPolarHBondContact CA-O 3.49Å; N27-V253 PolarHBondContact OD1-N 2.93Å; N27-V253 PolarHBondContact OD1-O 3.34Å; L28-V253 HydrophobicContact CB-CB 4.43Å; L28-V253 HydrophobicContact CB-CG1 4.13Å; L28-V253 HydrophobicContact CD1-CG1 4.14Å; L28-V253 HydrophobicContact CG-CG1 4.35Å; L28-V253 PolarHBondContact N-O 3.29Å; L29-V253 HydrophobicContact CD1-CB 4.37Å; L29-V253 HydrophobicContact CD1-CG2 3.83Å; L29-V253 HydrophobicContact CD2-CG2 4.36Å; L29-V253 HydrophobicContact CG-CB 4.16Å; L29-V253 HydrophobicContact CG-CG2 3.88Å; L111-V253 HydrophobicContact CD2-CB 4.38Å; L111-V253 HydrophobicContact CD2-CG1 4.22Å; L111-V253 HydrophobicContact CD2-CG2 4.08Å; F119-V253 HydrophobicContact CD2-CG1 3.75Å; F119-V253 HydrophobicContact CE2-CG1 3.83Å; L122-V253 HydrophobicContact CD1-CG2 3.9Å; L219-V253 HydrophobicContact CD2-CG1 4.31Å; L219-V253 HydrophobicContact CD2-CG2 4.07Å; M251-V253 HydrophobicContact CG-CG2 4.45Å; M251-V253 HydrophobicContact SD-CG2 4.44Å
254R92.2Very high91.5Very high108 Ų10816.7 Ų16.741%0.4087%0.071SC..EExtended strand (participates in β ladder)trans-89.1126.2-174.2-158-170.7-171.2133.7-1.3111.4G26 T120 H121G26-R254 WeakPolarHBondContact O-CA 3.24Å; G26-R254 WeakPolarHBondContact O-CG 3.45Å; T120-R254 PolarHBondContact N-O 2.77Å; T120-R254 PolarHBondContact OG1-O 2.63Å; H121-R254 WeakPolarHBondContact CE1-CD 3.46Å; H121-R254 PolarHBondContact N-O 3Å; H121-R254 PolarHBondContact O-N 3.34Å
255G90.6Very high91.3Very high0 Ų020.8 Ų20.80%09%0.09CC..EExtended strand (participates in β ladder)trans-163.6-175.7178.600000112.8T25 G26 H118T25-G255 CarbonylContact C-O 3.47Å; T25-G255 WeakPolarHBondContact CA-O 3.48Å; G26-G255 PolarHBondContact N-O 3.23Å; G26-G255 PolarHBondContact O-N 3.42Å; H118-G255 CarbonylContact O-C 3.37Å; H118-G255 WeakPolarHBondContact O-CA 3.45Å
256S91.2Very high91.1Very high16 Ų1621 Ų2111%0.11210%0.095CC..EExtended strand (participates in β ladder)trans-132.1164171.350.70000109.7F117 H118F117-S256 WeakPolarHBondContact CA-O 3.05Å; F117-S256 WeakPolarHBondContact CB-O 3.37Å; F117-S256 WeakPolarHBondContact CD1-O 3.17Å; H118-S256 PolarHBondContact N-O 3.22Å; H118-S256 PolarHBondContact O-N 3.09Å
257C90.7Very high90.6Very high1 Ų123.6 Ų23.61%0.00711%0.108CC..EExtended strand (participates in β ladder)trans-58.4141163.4-175.30000109.8P23 C259 C266 V287 H288P23-C257 HydrophobicContact CB-CB 4.01Å; P23-C257 HydrophobicContact CG-CB 3.95Å; C257-C259 VanDerWaalsContact SG-SG 3.65Å; C257-C266 HydrophobicContact CB-CB 3.73Å; C257-C266 WeakPolarHBondContact CB-SG 3.2Å; C257-C266 WeakPolarHBondContact SG-CB 3.32Å; C257-C266 CovalentContact SG-SG 2.03Å; C257-C266 PolarHBondContact SG-SG 3.48Å; C257-V287 HydrophobicContact CB-CG1 4.38Å; C257-H288 VanDerWaalsContact CB-O 3.3Å; C257-H288 WeakPolarHBondContact CB-O 3.3Å; C257-H288 PolarHBondContact SG-O 3.25Å
258S89.7Confident90Very high0 Ų026.2 Ų26.20%013%0.125CC..  trans-87.3112.7-179.6-1720000109E116 H118 C291 N301E116-S258 WeakPolarHBondContact OE1-CB 3.25Å; E116-S258 PolarHBondContact OE1-OG 2.83Å; H118-S258 PolarHBondContact CD2-OG 2.81Å; H118-S258 PolarHBondContact NE2-OG 3.45Å; S258-C291 PolarHBondContact O-SG 3.15Å; S258-N301 VanDerWaalsContact O-CA 3.22Å; S258-N301 WeakPolarHBondContact O-CA 3.23Å; S258-N301 WeakPolarHBondContact O-CB 3.34Å; S258-N301 PolarHBondContact O-OD1 3.45Å
259C90.7Very high89.1Confident3 Ų328.2 Ų28.22%0.0214%0.135CC..  trans-133.513.7-176.7-56.10000115.2P23 C257 G261 H262 A263 C266 C291 N301P23-C259 HydrophobicContact CG-CB 4.16Å; P23-C259 WeakPolarHBondContact CG-SG 3.49Å; C257-C259 VanDerWaalsContact SG-SG 3.65Å; C259-G261 PolarHBondContact O-N 3.49Å; C259-H262 PolarHBondContact O-N 2.7Å; C259-A263 HydrophobicContact CB-CB 3.73Å; C259-C266 PolarHBondContact SG-SG 2.87Å; C259-C291 WeakPolarHBondContact CA-SG 3.49Å; C259-C291 HydrophobicContact CB-CB 3.94Å; C259-C291 WeakPolarHBondContact CB-SG 3.16Å; C259-C291 WeakPolarHBondContact SG-CB 3.38Å; C259-C291 CovalentContact SG-SG 2.03Å; C259-C291 PolarHBondContact SG-SG 3.22Å; C259-N301 CarbonylContact C-O 2.96Å; C259-N301 VanDerWaalsContact C-O 3.23Å; C259-N301 WeakPolarHBondContact CA-O 2.92Å
260Y88.7Confident87.6Confident34 Ų3434.2 Ų34.213%0.13316%0.162CC..THydrogen-bonded Turntrans46.524.2-179.3-61.3-68.2000117.3H118 Y206 H262 N301 E303 W314 P316 A317H118-Y260 AromaticContact NE2-CE1 3.95Å; Y206-Y260 HydrophobicContact CD1-CD1 4.32Å; Y206-Y260 HydrophobicContact CE1-CD1 4.17Å; Y206-Y260 VanDerWaalsContact OH-C 3.3Å; Y206-Y260 PolarHBondContact OH-O 2.84Å; Y260-H262 PolarHBondContact O-CD2 3.28Å; Y260-N301 HydrophobicContact CD2-CB 4.24Å; Y260-N301 VanDerWaalsContact CD2-O 3.29Å; Y260-N301 WeakPolarHBondContact CD2-O 3.25Å; Y260-N301 HydrophobicContact CE2-CB 3.93Å; Y260-E303 HydrophobicContact CD2-CB 4.39Å; Y260-E303 HydrophobicContact CE2-CB 4.13Å; Y260-W314 HydrophobicContact CD1-CH2 4.09Å; Y260-W314 AromaticContact CD2-CH2 3.87Å; Y260-W314 HydrophobicContact CD2-CH2 3.87Å; Y260-W314 AromaticContact CD2-CZ2 3.83Å; Y260-W314 HydrophobicContact CD2-CZ2 3.83Å; Y260-W314 HydrophobicContact CE2-CH2 4.4Å; Y260-W314 AromaticContact CG-CH2 3.7Å; Y260-W314 HydrophobicContact CG-CH2 3.7Å; Y260-W314 AromaticContact CG-CZ2 3.83Å; Y260-W314 HydrophobicContact CG-CZ2 3.83Å; Y260-P316 HydrophobicContact CD1-CB 4.46Å; Y260-P316 CarbonylContact O-C 3.53Å; Y260-P316 WeakPolarHBondContact O-CA 3.33Å; Y260-A317 PolarHBondContact O-N 3.04Å
261G88.2Confident85.9Confident1 Ų140.5 Ų40.51%0.0120%0.196CC..THydrogen-bonded Turntrans85.34.4-178.200000115.4C21 Y206 C259 H295 A317C21-G261 PolarHBondContact N-O 2.63Å; C21-G261 CarbonylContact O-C 3.57Å; C21-G261 VanDerWaalsContact O-CA 3.24Å; C21-G261 WeakPolarHBondContact O-CA 3.49Å; C21-G261 VanDerWaalsContact O-O 3.07Å; Y206-G261 PolarHBondContact OH-N 2.8Å; C259-G261 PolarHBondContact O-N 3.49Å; G261-H295 PolarHBondContact O-CE1 2.78Å; G261-A317 WeakPolarHBondContact O-CB 3Å
262H92.6Very high84Confident0 Ų041.6 Ų41.60%020%0.202CC..BIsolated β-bridgetrans-103.28.2-177-54.2-70.5000114.5C259 Y260 T294 H295 T297 C302 K315 T322C259-H262 PolarHBondContact O-N 2.7Å; Y260-H262 PolarHBondContact O-CD2 3.28Å; H262-T294 WeakPolarHBondContact O-CB 3.25Å; H262-T294 PolarHBondContact O-N 2.78Å; H262-T294 PolarHBondContact O-OG1 3.47Å; H262-H295 HydrophobicContact CB-CB 4.45Å; H262-H295 AromaticContact CE1-ND1 3.92Å; H262-H295 AromaticContact CG-ND1 3.82Å; H262-H295 AromaticContact ND1-CG 3.62Å; H262-H295 AromaticContact ND1-ND1 2.94Å; H262-H295 PolarHBondContact ND1-ND1 3.22Å; H262-T297 HydrophobicContact CB-CG2 4.34Å; H262-T297 WeakPolarHBondContact CB-OG1 2.99Å; H262-C302 HydrophobicContact CB-CB 3.77Å; H262-K315 PolarHBondContact CE1-O 3.3Å; H262-K315 VanDerWaalsContact CE1-O 3.31Å; H262-K315 PolarHBondContact NE2-O 2.9Å; H262-K315 VanDerWaalsContact NE2-O 3.09Å; H262-T322 PolarHBondContact CE1-O 3.32Å
263A90.1Very high81.9Confident0 Ų044 Ų440%022%0.22CC..  trans-147.1130.4175.900000113.5C21 Y22 P23 C259 C291 E292C21-A263 CarbonylContact C-O 3.54Å; C21-A263 CarbonylContact O-C 3.43Å; C21-A263 PolarHBondContact O-N 3.29Å; C21-A263 VanDerWaalsContact O-O 3.11Å; Y22-A263 CarbonylContact C-O 3.48Å; Y22-A263 WeakPolarHBondContact CA-O 3.13Å; P23-A263 VanDerWaalsContact CD-O 3.22Å; P23-A263 WeakPolarHBondContact CD-O 3.18Å; C259-A263 HydrophobicContact CB-CB 3.73Å; A263-C291 HydrophobicContact CB-CB 3.84Å; A263-E292 WeakPolarHBondContact CB-O 3.1Å
264R86.6Confident80Confident68 Ų6848.3 Ų48.326%0.25724%0.239SC..SBendtrans-77.4-26.4175179.7-177.4152.81582.8112.9E12 C21 P23E12-R264 IonicContact OE1-CZ 3.41Å; E12-R264 IonicContact OE1-NH1 3.88Å; E12-R264 IonicContact OE1-NH2 2.85Å; E12-R264 PolarHBondContact OE1-NH2 2.85Å; C21-R264 HydrophobicContact CB-CB 4.32Å; P23-R264 WeakPolarHBondContact CA-O 3.49Å
265H86.6Confident78Confident92 Ų9246.4 Ų46.443%0.42624%0.239SC..  trans-138.8156.8-173.7-67.3-53.5000111.5E292H265-E292 PolarHBondContact O-N 3.47Å; H265-E292 VanDerWaalsContact O-N 3.08Å
266C88.4Confident75.8Confident22 Ų2251.3 Ų51.315%0.14927%0.273CS..EExtended strand (participates in β ladder)trans-122.5140.7170.9-70.80000110.6C257 C259 H288 R290C257-C266 HydrophobicContact CB-CB 3.73Å; C257-C266 WeakPolarHBondContact CB-SG 3.2Å; C257-C266 WeakPolarHBondContact SG-CB 3.32Å; C257-C266 CovalentContact SG-SG 2.03Å; C257-C266 PolarHBondContact SG-SG 3.48Å; C259-C266 PolarHBondContact SG-SG 2.87Å; C266-H288 HydrophobicContact CB-CB 4.21Å; C266-H288 WeakPolarHBondContact CB-O 3.17Å; C266-H288 PolarHBondContact O-CD2 3.25Å; C266-R290 CarbonylContact C-O 3.54Å; C266-R290 WeakPolarHBondContact CA-O 3.15Å; C266-R290 WeakPolarHBondContact CB-O 3.42Å
267I85.7Confident73.8Confident54 Ų5457.5 Ų57.528%0.27731%0.305SS..EExtended strand (participates in β ladder)trans-107.2159.5-177.657.1172.4000110.5H288 R290 E292I267-H288 WeakPolarHBondContact O-CB 3.27Å; I267-R290 HydrophobicContact CD1-CG 4.36Å; I267-R290 HydrophobicContact CG1-CB 4.27Å; I267-R290 HydrophobicContact CG1-CG 3.97Å; I267-R290 PolarHBondContact N-O 3.36Å; I267-R290 PolarHBondContact O-N 3.28Å; I267-E292 HydrophobicContact CG2-CB 4.44Å
268P80.8Confident72Confident55 Ų5561 Ų6136%0.35733%0.326SS..  trans-59.3142.9172.7-23.333.8000112.6K270P268-K270 PolarHBondContact O-N 2.85Å
269I75.6Confident69.7Low42 Ų4264.6 Ų64.622%0.21536%0.362CS..  trans-71.2125.5169.8-74.2161.7000108.7E114 A115 D271 D272 R290E114-I269 HydrophobicContact CG-CD1 3.76Å; A115-I269 HydrophobicContact CB-CD1 3.79Å; I269-D271 PolarHBondContact O-N 2.75Å; I269-D271 VanDerWaalsContact O-N 3.1Å; I269-D272 PolarHBondContact O-N 2.87Å; I269-R290 HydrophobicContact CD1-CB 4.44Å; I269-R290 HydrophobicContact CG1-CB 3.63Å
270K60.4Low67.8Low170 Ų17068.9 Ų68.974%0.73939%0.389SS*.THydrogen-bonded Turntrans-63-18.4-169.7-72.8-174.6176.2177.90114.8P268P268-K270 PolarHBondContact O-N 2.85Å
271D57.4Low66Low150 Ų15072.3 Ų72.380%0.80242%0.418SS*.THydrogen-bonded Turntrans-110.213.3-179.3-70.7-57.8000114.8I269 S273I269-D271 PolarHBondContact O-N 2.75Å; I269-D271 VanDerWaalsContact O-N 3.1Å; D271-S273 VanDerWaalsContact C-N 3.27Å; D271-S273 PolarHBondContact O-N 3.5Å
272D51.6Low64.5Low26 Ų2675.8 Ų75.814%0.13944%0.44CS..  trans-72.686.2173.1-164.41.7000111.2R35 I269 F274 V275R35-D272 IonicContact CZ-OD2 3.26Å; R35-D272 IonicContact NH2-OD1 3.24Å; R35-D272 PolarHBondContact NH2-OD1 3.13Å; R35-D272 IonicContact NH2-OD2 2.64Å; R35-D272 PolarHBondContact NH2-OD2 3.09Å; I269-D272 PolarHBondContact O-N 2.87Å; D272-F274 PolarHBondContact O-N 3.35Å; D272-V275 PolarHBondContact O-N 3.09Å
273S49.2Very low63.3Low80 Ų8080.7 Ų80.756%0.55946%0.459SS*.Hα-helixtrans-44.7-25.1-17559.50000115.8D271 L277D271-S273 VanDerWaalsContact C-N 3.27Å; D271-S273 PolarHBondContact O-N 3.5Å; S273-L277 WeakPolarHBondContact O-CD1 3.29Å; S273-L277 WeakPolarHBondContact O-CG 3.28Å; S273-L277 PolarHBondContact O-N 3.49Å
274F52.6Low62.2Low93 Ų9386.5 Ų86.541%0.40850%0.497SS..Hα-helixtrans-70.2-33.4177.9-160.4-99.2000113.3H34 D272 L277 V278H34-F274 HydrophobicContact CB-CE1 4.22Å; H34-F274 HydrophobicContact CB-CE2 4.41Å; H34-F274 HydrophobicContact CB-CZ 3.97Å; H34-F274 AromaticContact CD2-CD1 4Å; H34-F274 AromaticContact CD2-CG 3.94Å; H34-F274 AromaticContact CE1-CD1 3.6Å; H34-F274 AromaticContact CG-CD1 4Å; H34-F274 AromaticContact CG-CE1 3.77Å; H34-F274 AromaticContact CG-CZ 3.93Å; H34-F274 AromaticContact ND1-CD1 3.75Å; H34-F274 AromaticContact ND1-CE1 3.65Å; H34-F274 AromaticContact NE2-CD1 3.78Å; H34-F274 AromaticContact NE2-CG 3.8Å; D272-F274 PolarHBondContact O-N 3.35Å; F274-L277 PolarHBondContact O-N 3.09Å; F274-V278 HydrophobicContact CD1-CG2 4.21Å; F274-V278 HydrophobicContact CE1-CG2 3.89Å; F274-V278 HydrophobicContact CE2-CG2 4.44Å; F274-V278 HydrophobicContact CZ-CG2 4.02Å; F274-V278 WeakPolarHBondContact O-CG2 3.1Å; F274-V278 PolarHBondContact O-N 3.27Å
275V50Low61.7Low68 Ų6888.6 Ų88.641%0.41251%0.513SS..Hα-helixtrans-70.6-43.7179.9-178.20000110.5D272 L277 V278 G279D272-V275 PolarHBondContact O-N 3.09Å; V275-L277 VanDerWaalsContact C-N 3.25Å; V275-L277 PolarHBondContact O-N 3.11Å; V275-V278 PolarHBondContact O-N 3.1Å; V275-G279 PolarHBondContact O-N 3.19Å
276S46Very low61.6Low103 Ų10385.9 Ų85.972%0.7250%0.501SS*.Hα-helixtrans-65.8-24176.9-59.80000113.7
277L48.7Very low61.5Low146 Ų14685.6 Ų85.676%0.76450%0.498SS*.Hα-helixtrans-87.5-19.3179.4-83.2167.1000114.9S273 F274 V275S273-L277 WeakPolarHBondContact O-CD1 3.29Å; S273-L277 WeakPolarHBondContact O-CG 3.28Å; S273-L277 PolarHBondContact O-N 3.49Å; F274-L277 PolarHBondContact O-N 3.09Å; V275-L277 VanDerWaalsContact C-N 3.25Å; V275-L277 PolarHBondContact O-N 3.11Å
278V52.6Low61.6Low74 Ų7484.6 Ų84.645%0.44849%0.492SS..Hα-helixtrans-107.5-16.8-172.4-178.70000113.1F274 V275 T280F274-V278 HydrophobicContact CD1-CG2 4.21Å; F274-V278 HydrophobicContact CE1-CG2 3.89Å; F274-V278 HydrophobicContact CE2-CG2 4.44Å; F274-V278 HydrophobicContact CZ-CG2 4.02Å; F274-V278 WeakPolarHBondContact O-CG2 3.1Å; F274-V278 PolarHBondContact O-N 3.27Å; V275-V278 PolarHBondContact O-N 3.1Å; V278-T280 HydrophobicContact CG1-CG2 4.06Å; V278-T280 PolarHBondContact O-N 3.44Å
279G41.7Very low61.7Low75 Ų7582 Ų8277%0.77348%0.475SS*.  trans65.69.5170.600000115.2V275V275-G279 PolarHBondContact O-N 3.19Å
280T49.7Very low62.3Low93 Ų9384.2 Ų84.257%0.57148%0.481SS*.PPolyproline II helixtrans-86.6126.2173.248.30000109.6V278V278-T280 HydrophobicContact CG1-CG2 4.06Å; V278-T280 PolarHBondContact O-N 3.44Å
281S51Low63.8Low106 Ų10676.3 Ų76.374%0.74145%0.447SS*.PPolyproline II helixtrans-47.6140.7170.4-51.60000110.9R283S281-R283 PolarHBondContact O-N 2.91Å
282P56.3Low65.3Low75 Ų7574.3 Ų74.349%0.48743%0.433SS..PPolyproline II helixtrans-52.5130.3179.320.9-32.2000109.8
283R67.5Low67.2Low102 Ų10274.7 Ų74.739%0.38544%0.437SS..PPolyproline II helixtrans-61.4127.7179.8-87.9-171.9177.9164.74.5108.5E33 S281 D285 M286E33-R283 IonicContact OE1-CZ 3.6Å; E33-R283 IonicContact OE1-NH1 3.32Å; E33-R283 PolarHBondContact OE1-NH1 3.02Å; E33-R283 IonicContact OE1-NH2 2.7Å; E33-R283 PolarHBondContact OE1-NH2 2.73Å; E33-R283 IonicContact OE2-NH1 3.3Å; S281-R283 PolarHBondContact O-N 2.91Å; R283-D285 PolarHBondContact O-N 3.48Å; R283-M286 HydrophobicContact CB-CB 4.22Å; R283-M286 VanDerWaalsContact O-CB 3.29Å; R283-M286 WeakPolarHBondContact O-CB 3.11Å; R283-M286 PolarHBondContact O-N 3.05Å
284P68.3Low69.1Low123 Ų12372.8 Ų72.880%0.79942%0.423SS*.THydrogen-bonded Turntrans-63.1-19.3-177.526-35.1000113.2
285D75.5Confident71Confident112 Ų11269.4 Ų69.460%0.59941%0.408SS*.THydrogen-bonded Turntrans-92.71.9180-34.5-49.1000113.2I30 R283I30-D285 HydrophobicContact CG2-CB 4.39Å; R283-D285 PolarHBondContact O-N 3.48Å
286M83.8Confident73Confident35 Ų3569.8 Ų69.817%0.17241%0.405CS..  trans-82.3127.8-180-179.9174.2-177.600110.8I30 R32 R283 H288I30-M286 WeakPolarHBondContact O-CG 3.05Å; R32-M286 HydrophobicContact CG-CE 4.39Å; R283-M286 HydrophobicContact CB-CB 4.22Å; R283-M286 VanDerWaalsContact O-CB 3.29Å; R283-M286 WeakPolarHBondContact O-CB 3.11Å; R283-M286 PolarHBondContact O-N 3.05Å; M286-H288 PolarHBondContact O-N 3.3Å
287V87Confident75.3Confident15 Ų1565 Ų659%0.09137%0.371CS..  trans-75.8110.8166.3-1710000107.7L28 R32 F117 C257L28-V287 HydrophobicContact CD2-CB 3.9Å; L28-V287 HydrophobicContact CD2-CG1 4Å; L28-V287 HydrophobicContact CD2-CG2 4.17Å; R32-V287 PolarHBondContact NH1-O 3.03Å; R32-V287 VanDerWaalsContact NH1-O 3.14Å; R32-V287 PolarHBondContact NH2-O 3.41Å; F117-V287 HydrophobicContact CD1-CG1 4.34Å; F117-V287 HydrophobicContact CE1-CG1 4.02Å; C257-V287 HydrophobicContact CB-CG1 4.38Å
288H87.4Confident77.3Confident33 Ų3361 Ų6115%0.15335%0.348CS..  trans-79.1165174.6-59.1-54000112.2F117 C257 C266 I267 M286F117-H288 WeakPolarHBondContact CE1-O 3.31Å; C257-H288 VanDerWaalsContact CB-O 3.3Å; C257-H288 WeakPolarHBondContact CB-O 3.3Å; C257-H288 PolarHBondContact SG-O 3.25Å; C266-H288 HydrophobicContact CB-CB 4.21Å; C266-H288 WeakPolarHBondContact CB-O 3.17Å; C266-H288 PolarHBondContact O-CD2 3.25Å; I267-H288 WeakPolarHBondContact O-CB 3.27Å; M286-H288 PolarHBondContact O-N 3.3Å
289G83.5Confident78.9Confident0 Ų058.9 Ų58.90%034%0.341CS..SBendtrans-115.36.9-169.200000117.7A115A115-G289 WeakPolarHBondContact CB-O 3.46Å
290R88.5Confident81.1Confident89 Ų8959 Ų5934%0.33632%0.324SS..EExtended strand (participates in β ladder)trans-115.8126.7170.7167.4178.3-179.9156.76.3109.6C266 I267 I269 L300C266-R290 CarbonylContact C-O 3.54Å; C266-R290 WeakPolarHBondContact CA-O 3.15Å; C266-R290 WeakPolarHBondContact CB-O 3.42Å; I267-R290 HydrophobicContact CD1-CG 4.36Å; I267-R290 HydrophobicContact CG1-CB 4.27Å; I267-R290 HydrophobicContact CG1-CG 3.97Å; I267-R290 PolarHBondContact N-O 3.36Å; I267-R290 PolarHBondContact O-N 3.28Å; I269-R290 HydrophobicContact CD1-CB 4.44Å; I269-R290 HydrophobicContact CG1-CB 3.63Å; R290-L300 HydrophobicContact CB-CD2 4.35Å; R290-L300 HydrophobicContact CG-CD2 4.2Å
291C91Very high83Confident4 Ų455.2 Ų55.23%0.02730%0.3CS..EExtended strand (participates in β ladder)trans-69.7145.3177.1-56.40000112.5S258 C259 A263 C293 L300 C302S258-C291 PolarHBondContact O-SG 3.15Å; C259-C291 WeakPolarHBondContact CA-SG 3.49Å; C259-C291 HydrophobicContact CB-CB 3.94Å; C259-C291 WeakPolarHBondContact CB-SG 3.16Å; C259-C291 WeakPolarHBondContact SG-CB 3.38Å; C259-C291 CovalentContact SG-SG 2.03Å; C259-C291 PolarHBondContact SG-SG 3.22Å; A263-C291 HydrophobicContact CB-CB 3.84Å; C291-C293 PolarHBondContact O-N 2.61Å; C291-L300 PolarHBondContact N-O 2.76Å; C291-L300 PolarHBondContact SG-O 3.15Å; C291-L300 VanDerWaalsContact SG-O 3.4Å; C291-C302 WeakPolarHBondContact CB-SG 3.18Å
292E89.4Confident84.9Confident108 Ų10850.2 Ų50.251%0.50527%0.265SS..  trans-92.584.3162.8-173.3166.6-138.500107.2A263 H265 I267A263-E292 WeakPolarHBondContact CB-O 3.1Å; H265-E292 PolarHBondContact O-N 3.47Å; H265-E292 VanDerWaalsContact O-N 3.08Å; I267-E292 HydrophobicContact CG2-CB 4.44Å
293C90.9Very high86.4Confident34 Ų3449.7 Ų49.723%0.2326%0.256CS..  trans-66.3147.1-169.6-60.60000113.1C291 T297 C302C291-C293 PolarHBondContact O-N 2.61Å; C293-T297 WeakPolarHBondContact CB-O 3.17Å; C293-C302 WeakPolarHBondContact CA-SG 3.39Å; C293-C302 HydrophobicContact CB-CB 3.93Å; C293-C302 WeakPolarHBondContact CB-SG 3.3Å; C293-C302 WeakPolarHBondContact SG-CA 3.45Å; C293-C302 WeakPolarHBondContact SG-CB 3.22Å; C293-C302 CovalentContact SG-SG 2.04Å; C293-C302 PolarHBondContact SG-SG 2.92Å
294T90.6Very high87.5Confident41 Ų4149.6 Ų49.625%0.25226%0.26SS..  trans-129.3-163175.768.40000108.5C16 H262 H296 T297C16-T294 HydrophobicContact CB-CG2 4.38Å; H262-T294 WeakPolarHBondContact O-CB 3.25Å; H262-T294 PolarHBondContact O-N 2.78Å; H262-T294 PolarHBondContact O-OG1 3.47Å; T294-H296 PolarHBondContact O-N 2.68Å; T294-T297 PolarHBondContact O-N 3.46Å; T294-T297 PolarHBondContact O-OG1 2.9Å
295H91.9Very high88.7Confident21 Ų2144.2 Ų44.210%0.09723%0.225CC..THydrogen-bonded Turntrans5626.1174.3-58.5170000114.8C16 R19 S20 G261 H262 T297 T322 A324 C325C16-H295 WeakPolarHBondContact CA-NE2 3.45Å; C16-H295 CovalentContact O-NE2 1.75Å; C16-H295 PolarHBondContact O-NE2 3.06Å; R19-H295 VanDerWaalsContact C-CE1 3.49Å; R19-H295 PolarHBondContact O-CE1 3.44Å; R19-H295 PolarHBondContact O-NE2 3.37Å; S20-H295 VanDerWaalsContact CA-CE1 3.44Å; S20-H295 WeakPolarHBondContact CA-CE1 3.46Å; G261-H295 PolarHBondContact O-CE1 2.78Å; H262-H295 HydrophobicContact CB-CB 4.45Å; H262-H295 AromaticContact CE1-ND1 3.92Å; H262-H295 AromaticContact CG-ND1 3.82Å; H262-H295 AromaticContact ND1-CG 3.62Å; H262-H295 AromaticContact ND1-ND1 2.94Å; H262-H295 PolarHBondContact ND1-ND1 3.22Å; H295-T297 VanDerWaalsContact C-N 3.28Å; H295-T297 PolarHBondContact O-N 2.95Å; H295-T322 PolarHBondContact ND1-O 3.01Å; H295-T322 VanDerWaalsContact ND1-O 3.17Å; H295-A324 HydrophobicContact CB-CB 3.76Å; H295-A324 VanDerWaalsContact O-CA 3.28Å; H295-A324 WeakPolarHBondContact O-CA 3.36Å; H295-A324 WeakPolarHBondContact O-CB 2.91Å; H295-C325 PolarHBondContact O-N 2.88Å
296H92.7Very high89.4Confident76 Ų7642.4 Ų42.435%0.35221%0.213SC..THydrogen-bonded Turntrans56.237.9-173.5-58.2-65.5000114.3T294 E306 Y309 C325T294-H296 PolarHBondContact O-N 2.68Å; H296-E306 WeakPolarHBondContact CA-OE2 3.11Å; H296-E306 IonicContact CG-OE2 3.17Å; H296-E306 IonicContact ND1-OE2 2.97Å; H296-E306 PolarHBondContact ND1-OE2 2.94Å; H296-E306 PolarHBondContact O-N 2.99Å; H296-Y309 HydrophobicContact CB-CD1 3.51Å; H296-Y309 HydrophobicContact CB-CD2 4.29Å; H296-Y309 HydrophobicContact CB-CE1 3.98Å; H296-Y309 HydrophobicContact CB-CG 3.71Å; H296-Y309 AromaticContact CD2-CD1 3.83Å; H296-Y309 AromaticContact CD2-CE1 3.56Å; H296-Y309 AromaticContact CE1-CE1 3.6Å; H296-Y309 AromaticContact CE1-CZ 3.62Å; H296-Y309 AromaticContact CG-CD1 3.44Å; H296-Y309 VanDerWaalsContact CG-CD1 3.44Å; H296-Y309 AromaticContact CG-CE1 3.36Å; H296-Y309 AromaticContact CG-CZ 3.87Å; H296-Y309 AromaticContact ND1-CD1 3.88Å; H296-Y309 AromaticContact ND1-CE1 3.41Å; H296-Y309 WeakPolarHBondContact ND1-CE1 3.49Å; H296-Y309 AromaticContact ND1-CE2 3.87Å; H296-Y309 AromaticContact ND1-CZ 3.42Å; H296-Y309 AromaticContact NE2-CE1 3.74Å; H296-C325 HydrophobicContact CB-CB 4Å; H296-C325 VanDerWaalsContact O-CB 3.26Å; H296-C325 WeakPolarHBondContact O-CB 3.15Å
297T92.8Very high89.5Confident2 Ų246.4 Ų46.41%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-108.2149.4175.958.70000112H262 C293 T294 H295 C302 E304H262-T297 HydrophobicContact CB-CG2 4.34Å; H262-T297 WeakPolarHBondContact CB-OG1 2.99Å; C293-T297 WeakPolarHBondContact CB-O 3.17Å; T294-T297 PolarHBondContact O-N 3.46Å; T294-T297 PolarHBondContact O-OG1 2.9Å; H295-T297 VanDerWaalsContact C-N 3.28Å; H295-T297 PolarHBondContact O-N 2.95Å; T297-C302 WeakPolarHBondContact OG1-CB 3.44Å; T297-E304 CarbonylContact C-O 3.5Å; T297-E304 WeakPolarHBondContact CA-O 3.21Å; T297-E304 WeakPolarHBondContact CB-O 3.36Å
298K90.9Very high89.7Confident63 Ų6347.4 Ų47.427%0.27424%0.238SC..EExtended strand (participates in β ladder)trans-129.817917471.7176.9174.7174.30110.9C302 E303 E304 C305 E306 D307K298-C302 CarbonylContact O-C 3.6Å; K298-C302 VanDerWaalsContact O-CA 3.29Å; K298-C302 WeakPolarHBondContact O-CA 3.23Å; K298-E303 PolarHBondContact O-N 3.49Å; K298-E304 WeakPolarHBondContact CE-OE2 3.28Å; K298-E304 HydrophobicContact CG-CB 3.8Å; K298-E304 PolarHBondContact N-O 3.28Å; K298-E304 PolarHBondContact O-N 3.5Å; K298-C305 WeakPolarHBondContact CE-O 3.33Å; K298-C305 WeakPolarHBondContact CG-O 3.45Å; K298-E306 HydrophobicContact CB-CG 4.38Å; K298-D307 IonicContact NZ-OD1 3.65Å; K298-D307 PolarHBondContact NZ-OD1 2.75Å; K298-D307 IonicContact NZ-OD2 2.69Å; K298-D307 PolarHBondContact NZ-OD2 3.28Å
299G87.1Confident90Very high30 Ų3048 Ų4831%0.30924%0.24SC..SBendtrans111-170.2-174.800000112.5E303G299-E303 VanDerWaalsContact CA-OE2 3.31Å; G299-E303 WeakPolarHBondContact CA-OE2 3.27Å
300L86.9Confident90.4Very high78 Ų7849.9 Ų49.941%0.40825%0.25SC..SBendtrans-86.4-29.7175.2-75.5174.8000112.3R290 C291 E303R290-L300 HydrophobicContact CB-CD2 4.35Å; R290-L300 HydrophobicContact CG-CD2 4.2Å; C291-L300 PolarHBondContact N-O 2.76Å; C291-L300 PolarHBondContact SG-O 3.15Å; C291-L300 VanDerWaalsContact SG-O 3.4Å; L300-E303 PolarHBondContact N-OE1 3.5Å; L300-E303 VanDerWaalsContact N-OE1 3.09Å; L300-E303 PolarHBondContact N-OE2 2.7Å
301N89.6Confident90.6Very high13 Ų1346 Ų467%0.0724%0.235CC..SBendtrans-116.18.6-176.9-55.3-41.6000112.5E116 S258 C259 Y260 E303E116-N301 WeakPolarHBondContact CB-ND2 2.98Å; S258-N301 VanDerWaalsContact O-CA 3.22Å; S258-N301 WeakPolarHBondContact O-CA 3.23Å; S258-N301 WeakPolarHBondContact O-CB 3.34Å; S258-N301 PolarHBondContact O-OD1 3.45Å; C259-N301 CarbonylContact C-O 2.96Å; C259-N301 VanDerWaalsContact C-O 3.23Å; C259-N301 WeakPolarHBondContact CA-O 2.92Å; Y260-N301 HydrophobicContact CD2-CB 4.24Å; Y260-N301 VanDerWaalsContact CD2-O 3.29Å; Y260-N301 WeakPolarHBondContact CD2-O 3.25Å; Y260-N301 HydrophobicContact CE2-CB 3.93Å; N301-E303 VanDerWaalsContact CA-OE2 3.23Å; N301-E303 WeakPolarHBondContact CA-OE2 2.91Å; N301-E303 WeakPolarHBondContact CB-OE2 3.16Å; N301-E303 PolarHBondContact N-OE2 3.15Å
302C91.3Very high90.6Very high0 Ų048.2 Ų48.20%025%0.247CC..SBendtrans65.136.8-173.6-450000113.8H262 C291 C293 T297 K298 W314H262-C302 HydrophobicContact CB-CB 3.77Å; C291-C302 WeakPolarHBondContact CB-SG 3.18Å; C293-C302 WeakPolarHBondContact CA-SG 3.39Å; C293-C302 HydrophobicContact CB-CB 3.93Å; C293-C302 WeakPolarHBondContact CB-SG 3.3Å; C293-C302 WeakPolarHBondContact SG-CA 3.45Å; C293-C302 WeakPolarHBondContact SG-CB 3.22Å; C293-C302 CovalentContact SG-SG 2.04Å; C293-C302 PolarHBondContact SG-SG 2.92Å; T297-C302 WeakPolarHBondContact OG1-CB 3.44Å; K298-C302 CarbonylContact O-C 3.6Å; K298-C302 VanDerWaalsContact O-CA 3.29Å; K298-C302 WeakPolarHBondContact O-CA 3.23Å; C302-W314 WeakPolarHBondContact O-CZ2 2.87Å; C302-W314 PolarHBondContact O-NE1 2.04Å
303E88Confident90.7Very high64 Ų6445.1 Ų45.130%0.29924%0.236SC..  trans-87.6-5.5-172.768.4-84.1-150.900115.2Y260 K298 G299 L300 N301Y260-E303 HydrophobicContact CD2-CB 4.39Å; Y260-E303 HydrophobicContact CE2-CB 4.13Å; K298-E303 PolarHBondContact O-N 3.49Å; G299-E303 VanDerWaalsContact CA-OE2 3.31Å; G299-E303 WeakPolarHBondContact CA-OE2 3.27Å; L300-E303 PolarHBondContact N-OE1 3.5Å; L300-E303 VanDerWaalsContact N-OE1 3.09Å; L300-E303 PolarHBondContact N-OE2 2.7Å; N301-E303 VanDerWaalsContact CA-OE2 3.23Å; N301-E303 WeakPolarHBondContact CA-OE2 2.91Å; N301-E303 WeakPolarHBondContact CB-OE2 3.16Å; N301-E303 PolarHBondContact N-OE2 3.15Å
304E90.8Very high90.7Very high100 Ų10047.3 Ų47.347%0.46724%0.239SC..EExtended strand (participates in β ladder)trans-128159.8178.9-72172.8-162.400110.8T297 K298T297-E304 CarbonylContact C-O 3.5Å; T297-E304 WeakPolarHBondContact CA-O 3.21Å; T297-E304 WeakPolarHBondContact CB-O 3.36Å; K298-E304 WeakPolarHBondContact CE-OE2 3.28Å; K298-E304 HydrophobicContact CG-CB 3.8Å; K298-E304 PolarHBondContact N-O 3.28Å; K298-E304 PolarHBondContact O-N 3.5Å
305C92.4Very high90.6Very high11 Ų1150.3 Ų50.37%0.07425%0.249CC..EExtended strand (participates in β ladder)trans-80.8148166.4-69.10000111.6K298 C325K298-C305 WeakPolarHBondContact CE-O 3.33Å; K298-C305 WeakPolarHBondContact CG-O 3.45Å; C305-C325 WeakPolarHBondContact CA-SG 2.88Å; C305-C325 HydrophobicContact CB-CB 3.54Å; C305-C325 WeakPolarHBondContact CB-SG 3.15Å; C305-C325 WeakPolarHBondContact SG-CB 2.93Å; C305-C325 CovalentContact SG-SG 2.03Å; C305-C325 PolarHBondContact SG-SG 3.24Å
306E90.8Very high90.5Very high74 Ų7450.6 Ų50.635%0.34625%0.253SS..PPolyproline II helixtrans-56.3150.4169.9-77.7179.7158.700111.1H296 K298 F308 Y309H296-E306 WeakPolarHBondContact CA-OE2 3.11Å; H296-E306 IonicContact CG-OE2 3.17Å; H296-E306 IonicContact ND1-OE2 2.97Å; H296-E306 PolarHBondContact ND1-OE2 2.94Å; H296-E306 PolarHBondContact O-N 2.99Å; K298-E306 HydrophobicContact CB-CG 4.38Å; E306-F308 PolarHBondContact O-N 2.68Å; E306-Y309 HydrophobicContact CB-CD2 3.75Å; E306-Y309 HydrophobicContact CB-CE2 4.5Å; E306-Y309 HydrophobicContact CB-CG 4.31Å; E306-Y309 WeakPolarHBondContact O-CB 3.18Å; E306-Y309 PolarHBondContact O-N 3.29Å
307D85.9Confident90.2Very high119 Ų11947 Ų4764%0.63624%0.236SC*.THydrogen-bonded Turntrans-59.3135.9176.5-61.7-64.6000109.8K298 Y309K298-D307 IonicContact NZ-OD1 3.65Å; K298-D307 PolarHBondContact NZ-OD1 2.75Å; K298-D307 IonicContact NZ-OD2 2.69Å; K298-D307 PolarHBondContact NZ-OD2 3.28Å; D307-Y309 VanDerWaalsContact C-N 3.3Å; D307-Y309 PolarHBondContact O-N 2.9Å
308F91.9Very high89.7Confident35 Ų3549.9 Ų49.915%0.15425%0.251CS..THydrogen-bonded Turntrans75.8-3.2-170.8-153.1-119.1000116.7E306 E327 C328 C330 G334 T335 C337E306-F308 PolarHBondContact O-N 2.68Å; F308-E327 HydrophobicContact CD1-CG 3.66Å; F308-E327 HydrophobicContact CE1-CG 3.89Å; F308-E327 WeakPolarHBondContact O-CA 3.13Å; F308-C328 HydrophobicContact CD2-CB 4.36Å; F308-C328 WeakPolarHBondContact CE1-O 2.84Å; F308-C328 HydrophobicContact CE2-CB 4.23Å; F308-C328 HydrophobicContact CZ-CB 4.46Å; F308-C328 WeakPolarHBondContact CZ-O 3.32Å; F308-C328 PolarHBondContact O-N 3.38Å; F308-C330 HydrophobicContact CE2-CB 4.2Å; F308-C330 WeakPolarHBondContact CE2-SG 3.32Å; F308-C330 HydrophobicContact CZ-CB 3.99Å; F308-G334 WeakPolarHBondContact CE2-O 3.36Å; F308-G334 WeakPolarHBondContact CZ-O 3.35Å; F308-T335 WeakPolarHBondContact CD2-O 3.25Å; F308-C337 HydrophobicContact CD2-CB 4.36Å; F308-C337 PolarHBondContact O-SG 2.79Å
309Y93Very high89Confident47 Ų4753.1 Ų53.118%0.18427%0.271CS..  trans-99.333.6176.5-71.8-96.7000114.2H296 E306 D307 C325 K326 E327H296-Y309 HydrophobicContact CB-CD1 3.51Å; H296-Y309 HydrophobicContact CB-CD2 4.29Å; H296-Y309 HydrophobicContact CB-CE1 3.98Å; H296-Y309 HydrophobicContact CB-CG 3.71Å; H296-Y309 AromaticContact CD2-CD1 3.83Å; H296-Y309 AromaticContact CD2-CE1 3.56Å; H296-Y309 AromaticContact CE1-CE1 3.6Å; H296-Y309 AromaticContact CE1-CZ 3.62Å; H296-Y309 AromaticContact CG-CD1 3.44Å; H296-Y309 VanDerWaalsContact CG-CD1 3.44Å; H296-Y309 AromaticContact CG-CE1 3.36Å; H296-Y309 AromaticContact CG-CZ 3.87Å; H296-Y309 AromaticContact ND1-CD1 3.88Å; H296-Y309 AromaticContact ND1-CE1 3.41Å; H296-Y309 WeakPolarHBondContact ND1-CE1 3.49Å; H296-Y309 AromaticContact ND1-CE2 3.87Å; H296-Y309 AromaticContact ND1-CZ 3.42Å; H296-Y309 AromaticContact NE2-CE1 3.74Å; E306-Y309 HydrophobicContact CB-CD2 3.75Å; E306-Y309 HydrophobicContact CB-CE2 4.5Å; E306-Y309 HydrophobicContact CB-CG 4.31Å; E306-Y309 WeakPolarHBondContact O-CB 3.18Å; E306-Y309 PolarHBondContact O-N 3.29Å; D307-Y309 VanDerWaalsContact C-N 3.3Å; D307-Y309 PolarHBondContact O-N 2.9Å; Y309-C325 WeakPolarHBondContact O-CB 2.94Å; Y309-K326 CarbonylContact C-O 3.59Å; Y309-K326 VanDerWaalsContact CA-O 3.26Å; Y309-K326 WeakPolarHBondContact CA-O 3.3Å; Y309-K326 PolarHBondContact O-N 2.58Å; Y309-K326 VanDerWaalsContact O-O 3.07Å; Y309-E327 HydrophobicContact CD1-CB 3.88Å; Y309-E327 VanDerWaalsContact CD1-N 3.34Å; Y309-E327 HydrophobicContact CE1-CB 3.65Å; Y309-E327 HydrophobicContact CE1-CG 4.12Å
310N92.4Very high88.6Confident39 Ų3962.1 Ų62.121%0.20930%0.296CS..BIsolated β-bridgetrans-98.727.4-173.6-59.9-50.2000114.5L312 K326 C337 F339N310-L312 VanDerWaalsContact C-N 3.34Å; N310-K326 PolarHBondContact N-O 2.78Å; N310-C337 PolarHBondContact ND2-O 2.8Å; N310-F339 HydrophobicContact CB-CB 4.29Å; N310-F339 WeakPolarHBondContact O-CA 2.95Å; N310-F339 WeakPolarHBondContact O-CB 3.5Å
311D92Very high88.3Confident6 Ų664.5 Ų64.53%0.03231%0.305CS..SBendtrans-79.3-16.8177.8-169.748.8000113.7K326 S351 G352 G353D311-K326 HydrophobicContact CB-CB 4.18Å; D311-K326 HydrophobicContact CB-CD 4.18Å; D311-K326 HydrophobicContact CB-CG 4.14Å; D311-K326 VanDerWaalsContact CB-O 3.29Å; D311-K326 WeakPolarHBondContact CB-O 3.36Å; D311-K326 PolarHBondContact N-O 2.69Å; D311-K326 VanDerWaalsContact OD2-CD 3.3Å; D311-K326 WeakPolarHBondContact OD2-CD 3.06Å; D311-K326 WeakPolarHBondContact OD2-CE 3.39Å; D311-K326 IonicContact OD2-NZ 2.85Å; D311-K326 PolarHBondContact OD2-NZ 2.71Å; D311-S351 WeakPolarHBondContact OD1-CA 3.1Å; D311-S351 WeakPolarHBondContact OD1-CB 3.39Å; D311-S351 PolarHBondContact OD1-OG 3.18Å; D311-S351 PolarHBondContact OD2-OG 2.76Å; D311-G352 PolarHBondContact O-N 3.41Å; D311-G352 PolarHBondContact OD1-N 3.37Å; D311-G353 WeakPolarHBondContact OD1-CA 3.21Å; D311-G353 PolarHBondContact OD1-N 2.64Å
312L91.3Very high88Confident52 Ų5265.7 Ų65.727%0.27231%0.312SS..SBendtrans-131.1153.8175.1-66.4179.2000109.8N310 K326 F344N310-L312 VanDerWaalsContact C-N 3.34Å; L312-K326 HydrophobicContact CB-CB 4.34Å; L312-K326 HydrophobicContact CD1-CB 3.89Å; L312-K326 HydrophobicContact CD1-CD 3.75Å; L312-K326 HydrophobicContact CD1-CG 4.46Å; L312-K326 HydrophobicContact CG-CB 3.92Å; L312-K326 HydrophobicContact CG-CD 3.8Å; L312-F344 HydrophobicContact CD2-CD2 4.28Å; L312-F344 HydrophobicContact CD2-CE2 3.46Å; L312-F344 VanDerWaalsContact CD2-CE2 3.46Å; L312-F344 HydrophobicContact CD2-CZ 4.16Å
313P90.8Very high87.9Confident43 Ų4367.9 Ų67.928%0.27932%0.324SS..  trans-72.4138.7175.930.5-32.1000110.6F339 F344P313-F339 HydrophobicContact CB-CD1 4.48Å; P313-F339 HydrophobicContact CB-CE1 3.99Å; P313-F339 HydrophobicContact CB-CE2 4.31Å; P313-F339 HydrophobicContact CB-CZ 3.89Å; P313-F339 VanDerWaalsContact CD-CE2 3.47Å; P313-F339 HydrophobicContact CG-CE1 4.48Å; P313-F339 HydrophobicContact CG-CE2 4.26Å; P313-F339 HydrophobicContact CG-CZ 3.92Å; P313-F344 HydrophobicContact CG-CE1 4.22Å; P313-F344 HydrophobicContact CG-CZ 4.47Å
314W92.4Very high87.9Confident79 Ų7966.5 Ų66.530%0.29932%0.323SS..  trans-56.7138.1176.317993.8000111.9Y260 C302Y260-W314 HydrophobicContact CD1-CH2 4.09Å; Y260-W314 AromaticContact CD2-CH2 3.87Å; Y260-W314 HydrophobicContact CD2-CH2 3.87Å; Y260-W314 AromaticContact CD2-CZ2 3.83Å; Y260-W314 HydrophobicContact CD2-CZ2 3.83Å; Y260-W314 HydrophobicContact CE2-CH2 4.4Å; Y260-W314 AromaticContact CG-CH2 3.7Å; Y260-W314 HydrophobicContact CG-CH2 3.7Å; Y260-W314 AromaticContact CG-CZ2 3.83Å; Y260-W314 HydrophobicContact CG-CZ2 3.83Å; C302-W314 WeakPolarHBondContact O-CZ2 2.87Å; C302-W314 PolarHBondContact O-NE1 2.04Å
315K88.6Confident88Confident105 Ų10562 Ų6246%0.45730%0.303SS..  trans-149.5146.3178.1-69178.2-174.9174.50110.6H262 N323H262-K315 PolarHBondContact CE1-O 3.3Å; H262-K315 VanDerWaalsContact CE1-O 3.31Å; H262-K315 PolarHBondContact NE2-O 2.9Å; H262-K315 VanDerWaalsContact NE2-O 3.09Å; K315-N323 HydrophobicContact CB-CB 3.99Å; K315-N323 WeakPolarHBondContact O-CB 3.1Å
316P88.3Confident88Confident26 Ų2665.7 Ų65.717%0.16932%0.318CS..  trans-64148.7175.528.8-36.2000111.9Y206 Y260 N323Y206-P316 HydrophobicContact CD1-CB 3.72Å; Y206-P316 HydrophobicContact CD1-CG 4.03Å; Y206-P316 HydrophobicContact CD2-CB 4.22Å; Y206-P316 HydrophobicContact CD2-CG 4.25Å; Y206-P316 HydrophobicContact CE1-CB 3.75Å; Y206-P316 HydrophobicContact CE2-CB 4.22Å; Y206-P316 HydrophobicContact CG-CB 3.94Å; Y206-P316 HydrophobicContact CG-CG 3.84Å; Y260-P316 HydrophobicContact CD1-CB 4.46Å; Y260-P316 CarbonylContact O-C 3.53Å; Y260-P316 WeakPolarHBondContact O-CA 3.33Å; P316-N323 PolarHBondContact O-ND2 3.47Å
317A87.3Confident88Confident0 Ų067.2 Ų67.20%033%0.325CS..  trans-78.3129.6175.800000112S20 Y22 Y206 Y260 G261 E321 T322S20-A317 WeakPolarHBondContact CB-O 3.49Å; Y22-A317 PolarHBondContact OH-O 3.18Å; Y206-A317 WeakPolarHBondContact CE2-O 3.24Å; Y206-A317 PolarHBondContact OH-O 2.83Å; Y260-A317 PolarHBondContact O-N 3.04Å; G261-A317 WeakPolarHBondContact O-CB 3Å; A317-E321 CarbonylContact C-O 3.46Å; A317-E321 WeakPolarHBondContact CA-O 3.19Å; A317-T322 VanDerWaalsContact CB-O 3.26Å; A317-T322 WeakPolarHBondContact CB-O 3.17Å
318I81.7Confident88.3Confident63 Ų6361.8 Ų61.832%0.32330%0.296SS..BIsolated β-bridgetrans-126.4119.7-172.9-52.6-177.9000110.1Y206 R320 E321Y206-I318 HydrophobicContact CD2-CD1 4.1Å; Y206-I318 HydrophobicContact CD2-CG1 3.78Å; Y206-I318 HydrophobicContact CE2-CG1 3.89Å; I318-R320 PolarHBondContact O-N 3.04Å; I318-E321 PolarHBondContact N-O 2.82Å; I318-E321 PolarHBondContact O-N 3.26Å
319D76.3Confident88.3Confident131 Ų13164.4 Ų64.470%0.70131%0.312SS*.THydrogen-bonded Turntrans44.1-103.5-175.2-78.4-25.5000112.6R19 S20R19-D319 VanDerWaalsContact CB-O 3.3Å; R19-D319 WeakPolarHBondContact CB-O 3.42Å; S20-D319 WeakPolarHBondContact CB-O 3.31Å; S20-D319 PolarHBondContact N-O 2.71Å; S20-D319 WeakPolarHBondContact OG-CA 3.48Å; S20-D319 PolarHBondContact OG-N 2.88Å; S20-D319 PolarHBondContact OG-O 3.18Å
320R79Confident88.4Confident220 Ų22062.3 Ų62.383%0.8330%0.304SS*.THydrogen-bonded Turntrans-95.2-14.8179.8-65.2-176178.8-167.5-2.9114.2I318 T322I318-R320 PolarHBondContact O-N 3.04Å; R320-T322 PolarHBondContact O-N 3.07Å
321E80.2Confident88.3Confident128 Ų12861.9 Ų61.960%0.59830%0.302SS*.BIsolated β-bridgetrans-78.9103.4175.2-66.6176.5-167.900107.8A317 I318 N323A317-E321 CarbonylContact C-O 3.46Å; A317-E321 WeakPolarHBondContact CA-O 3.19Å; I318-E321 PolarHBondContact N-O 2.82Å; I318-E321 PolarHBondContact O-N 3.26Å; E321-N323 PolarHBondContact O-N 3.12Å
322T84.1Confident88.1Confident38 Ų3864.5 Ų64.523%0.23333%0.331CS..  trans-65.8-24.6178.952.50000112.3H262 H295 A317 R320 A324H262-T322 PolarHBondContact CE1-O 3.32Å; H295-T322 PolarHBondContact ND1-O 3.01Å; H295-T322 VanDerWaalsContact ND1-O 3.17Å; A317-T322 VanDerWaalsContact CB-O 3.26Å; A317-T322 WeakPolarHBondContact CB-O 3.17Å; R320-T322 PolarHBondContact O-N 3.07Å; T322-A324 PolarHBondContact O-N 3Å; T322-A324 VanDerWaalsContact O-N 3.08Å
323N89Confident88.3Confident45 Ų4562.1 Ų62.124%0.24132%0.318CS..  trans46.138.6-176-71.3-29.1000112.8K315 P316 E321K315-N323 HydrophobicContact CB-CB 3.99Å; K315-N323 WeakPolarHBondContact O-CB 3.1Å; P316-N323 PolarHBondContact O-ND2 3.47Å; E321-N323 PolarHBondContact O-N 3.12Å
324A89Confident88Confident35 Ų3560.6 Ų60.629%0.28931%0.31SS..  trans-65.8139.9179.700000111.4H295 T322H295-A324 HydrophobicContact CB-CB 3.76Å; H295-A324 VanDerWaalsContact O-CA 3.28Å; H295-A324 WeakPolarHBondContact O-CA 3.36Å; H295-A324 WeakPolarHBondContact O-CB 2.91Å; T322-A324 PolarHBondContact O-N 3Å; T322-A324 VanDerWaalsContact O-N 3.08Å
325C93Very high87.7Confident7 Ų762.7 Ų62.75%0.04733%0.332CS..  trans-64.1148173.6-63.30000110.3H295 H296 C305 Y309H295-C325 PolarHBondContact O-N 2.88Å; H296-C325 HydrophobicContact CB-CB 4Å; H296-C325 VanDerWaalsContact O-CB 3.26Å; H296-C325 WeakPolarHBondContact O-CB 3.15Å; C305-C325 WeakPolarHBondContact CA-SG 2.88Å; C305-C325 HydrophobicContact CB-CB 3.54Å; C305-C325 WeakPolarHBondContact CB-SG 3.15Å; C305-C325 WeakPolarHBondContact SG-CB 2.93Å; C305-C325 CovalentContact SG-SG 2.03Å; C305-C325 PolarHBondContact SG-SG 3.24Å; Y309-C325 WeakPolarHBondContact O-CB 2.94Å
326K90.8Very high87.7Confident87 Ų8765 Ų6538%0.37834%0.338SS..BIsolated β-bridgetrans-119.6128.9-166.3-176.8-172.9172.8-150.50110.7Y309 N310 D311 L312 T350Y309-K326 CarbonylContact C-O 3.59Å; Y309-K326 VanDerWaalsContact CA-O 3.26Å; Y309-K326 WeakPolarHBondContact CA-O 3.3Å; Y309-K326 PolarHBondContact O-N 2.58Å; Y309-K326 VanDerWaalsContact O-O 3.07Å; N310-K326 PolarHBondContact N-O 2.78Å; D311-K326 HydrophobicContact CB-CB 4.18Å; D311-K326 HydrophobicContact CB-CD 4.18Å; D311-K326 HydrophobicContact CB-CG 4.14Å; D311-K326 VanDerWaalsContact CB-O 3.29Å; D311-K326 WeakPolarHBondContact CB-O 3.36Å; D311-K326 PolarHBondContact N-O 2.69Å; D311-K326 VanDerWaalsContact OD2-CD 3.3Å; D311-K326 WeakPolarHBondContact OD2-CD 3.06Å; D311-K326 WeakPolarHBondContact OD2-CE 3.39Å; D311-K326 IonicContact OD2-NZ 2.85Å; D311-K326 PolarHBondContact OD2-NZ 2.71Å; L312-K326 HydrophobicContact CB-CB 4.34Å; L312-K326 HydrophobicContact CD1-CB 3.89Å; L312-K326 HydrophobicContact CD1-CD 3.75Å; L312-K326 HydrophobicContact CD1-CG 4.46Å; L312-K326 HydrophobicContact CG-CB 3.92Å; L312-K326 HydrophobicContact CG-CD 3.8Å; K326-T350 PolarHBondContact NZ-O 3.38Å
327E92.2Very high87.9Confident107 Ų10764.2 Ų64.250%0.533%0.332SS..  trans-59.7135.4-179.6-159177.3164.500112F308 Y309F308-E327 HydrophobicContact CD1-CG 3.66Å; F308-E327 HydrophobicContact CE1-CG 3.89Å; F308-E327 WeakPolarHBondContact O-CA 3.13Å; Y309-E327 HydrophobicContact CD1-CB 3.88Å; Y309-E327 VanDerWaalsContact CD1-N 3.34Å; Y309-E327 HydrophobicContact CE1-CB 3.65Å; Y309-E327 HydrophobicContact CE1-CG 4.12Å
328C91.9Very high88.1Confident4 Ų468 Ų683%0.02735%0.35CS..  trans-74.3131.9176.1-66.90000112F308 C330 C337F308-C328 HydrophobicContact CD2-CB 4.36Å; F308-C328 WeakPolarHBondContact CE1-O 2.84Å; F308-C328 HydrophobicContact CE2-CB 4.23Å; F308-C328 HydrophobicContact CZ-CB 4.46Å; F308-C328 WeakPolarHBondContact CZ-O 3.32Å; F308-C328 PolarHBondContact O-N 3.38Å; C328-C330 PolarHBondContact O-N 2.78Å; C328-C337 HydrophobicContact CB-CB 3.49Å; C328-C337 VanDerWaalsContact CB-CB 3.49Å; C328-C337 WeakPolarHBondContact CB-SG 3.49Å; C328-C337 WeakPolarHBondContact SG-CB 3.33Å; C328-C337 CovalentContact SG-SG 2.02Å; C328-C337 PolarHBondContact SG-SG 2.75Å
329N92.1Very high88.6Confident91 Ų9167.8 Ų67.849%0.48735%0.347SS..  trans-82.297.2173.6179.816.4000111.5N331 N366N329-N331 PolarHBondContact OD1-N 3.33Å; N329-N366 WeakPolarHBondContact O-CA 2.98Å; N329-N366 VanDerWaalsContact O-CB 3.29Å; N329-N366 WeakPolarHBondContact O-CB 2.76Å; N329-N366 PolarHBondContact O-ND2 2.68Å
330C93.9Very high89.3Confident2 Ų264.2 Ų64.21%0.01433%0.328CS..  trans-104.419.9172.4-54.60000113.7F308 C328 G332 H333 C355 N366F308-C330 HydrophobicContact CE2-CB 4.2Å; F308-C330 WeakPolarHBondContact CE2-SG 3.32Å; F308-C330 HydrophobicContact CZ-CB 3.99Å; C328-C330 PolarHBondContact O-N 2.78Å; C330-G332 PolarHBondContact O-N 3.41Å; C330-H333 WeakPolarHBondContact O-CB 3.4Å; C330-H333 PolarHBondContact O-N 2.75Å; C330-C355 WeakPolarHBondContact CA-SG 3.42Å; C330-C355 HydrophobicContact CB-CB 3.85Å; C330-C355 WeakPolarHBondContact CB-SG 3.37Å; C330-C355 WeakPolarHBondContact SG-CB 3.27Å; C330-C355 CovalentContact SG-SG 2.02Å; C330-C355 PolarHBondContact SG-SG 2.7Å; C330-N366 CarbonylContact C-O 3.57Å; C330-N366 VanDerWaalsContact C-O 3.25Å; C330-N366 WeakPolarHBondContact CA-O 3.45Å
331N90.4Very high89.7Confident30 Ų3058.9 Ų58.916%0.1631%0.312CS..THydrogen-bonded Turntrans50.722.8-178.1-68-72.1000115N329 H333 N366 I382 S383N329-N331 PolarHBondContact OD1-N 3.33Å; N331-H333 VanDerWaalsContact C-N 3.3Å; N331-H333 PolarHBondContact O-CD2 3.11Å; N331-H333 VanDerWaalsContact O-CD2 3.25Å; N331-N366 PolarHBondContact ND2-O 3.49Å; N331-I382 HydrophobicContact CB-CG1 4.5Å; N331-I382 HydrophobicContact CB-CG2 4.49Å; N331-I382 WeakPolarHBondContact OD1-CG2 3.45Å; N331-S383 WeakPolarHBondContact O-CA 3.43Å; N331-S383 VanDerWaalsContact O-CB 3.25Å; N331-S383 WeakPolarHBondContact O-CB 3.42Å
332G88.5Confident89.7Confident62 Ų6255.8 Ų55.864%0.63931%0.309SS*.THydrogen-bonded Turntrans76.411.8-173.600000115C330C330-G332 PolarHBondContact O-N 3.41Å
333H93.9Very high89.8Confident2 Ų255.6 Ų55.61%0.00931%0.307CS..SBendtrans-106.32.2-178.9-68.2-73.3000114.4C330 N331 Q359 H360 T362 C367 I382C330-H333 WeakPolarHBondContact O-CB 3.4Å; C330-H333 PolarHBondContact O-N 2.75Å; N331-H333 VanDerWaalsContact C-N 3.3Å; N331-H333 PolarHBondContact O-CD2 3.11Å; N331-H333 VanDerWaalsContact O-CD2 3.25Å; H333-Q359 WeakPolarHBondContact O-CB 2.98Å; H333-Q359 PolarHBondContact O-N 2.84Å; H333-H360 AromaticContact CE1-CG 3.86Å; H333-H360 AromaticContact CE1-ND1 3.4Å; H333-H360 PolarHBondContact CE1-ND1 3.48Å; H333-H360 VanDerWaalsContact ND1-CB 3.3Å; H333-H360 WeakPolarHBondContact ND1-CB 3.34Å; H333-H360 AromaticContact ND1-CG 3.45Å; H333-H360 AromaticContact ND1-ND1 2.94Å; H333-H360 PolarHBondContact ND1-ND1 3.25Å; H333-T362 WeakPolarHBondContact CB-OG1 3.19Å; H333-C367 HydrophobicContact CB-CB 3.51Å; H333-I382 PolarHBondContact CD2-O 3.03Å; H333-I382 PolarHBondContact NE2-O 2.75Å
334G85.5Confident89.8Confident11 Ų1154.3 Ų54.311%0.11330%0.299CS..  trans-153154.4174.700000110.8F308F308-G334 WeakPolarHBondContact CE2-O 3.36Å; F308-G334 WeakPolarHBondContact CZ-O 3.35Å
335T85.2Confident89.4Confident123 Ų12357.5 Ų57.576%0.75531%0.308SS*.SBendtrans-121.36.8178.954.80000112.7F308F308-T335 WeakPolarHBondContact CD2-O 3.25Å
336R89.3Confident88.7Confident154 Ų15461.5 Ų61.558%0.58134%0.342SS*.  trans-137.5145178.9-66.6178.965.8-146.1-3109.3D356R336-D356 HydrophobicContact CB-CB 4.16Å; R336-D356 PolarHBondContact O-N 2.6Å
337C92.5Very high88.2Confident8 Ų859 Ų595%0.05434%0.336CS..EExtended strand (participates in β ladder)trans-155.3158.2174.265.10000110F308 N310 C328 V354 D356F308-C337 HydrophobicContact CD2-CB 4.36Å; F308-C337 PolarHBondContact O-SG 2.79Å; N310-C337 PolarHBondContact ND2-O 2.8Å; C328-C337 HydrophobicContact CB-CB 3.49Å; C328-C337 VanDerWaalsContact CB-CB 3.49Å; C328-C337 WeakPolarHBondContact CB-SG 3.49Å; C328-C337 WeakPolarHBondContact SG-CB 3.33Å; C328-C337 CovalentContact SG-SG 2.02Å; C328-C337 PolarHBondContact SG-SG 2.75Å; C337-V354 WeakPolarHBondContact CA-O 3.47Å; C337-V354 WeakPolarHBondContact CB-O 3.34Å; C337-D356 WeakPolarHBondContact CA-OD2 3.02Å; C337-D356 PolarHBondContact N-OD2 2.87Å
338H92.2Very high87.5Confident80 Ų8056.2 Ų56.237%0.3734%0.336SS..EExtended strand (participates in β ladder)trans-121161.4170.164-85.3000110.8V354 D356H338-V354 PolarHBondContact N-O 3.25Å; H338-V354 VanDerWaalsContact N-O 3.09Å; H338-V354 PolarHBondContact O-N 2.69Å; H338-D356 IonicContact CE1-OD1 3.79Å; H338-D356 PolarHBondContact CE1-OD1 2.75Å; H338-D356 IonicContact ND1-OD1 3.72Å; H338-D356 PolarHBondContact ND1-OD1 3.37Å; H338-D356 IonicContact ND1-OD2 3.27Å
339F92.6Very high87.2Confident58 Ų5862.3 Ų62.325%0.25436%0.362SS..EExtended strand (participates in β ladder)trans-88.7126.2173.3178.2-99.3000110N310 P313 H341 F344N310-F339 HydrophobicContact CB-CB 4.29Å; N310-F339 WeakPolarHBondContact O-CA 2.95Å; N310-F339 WeakPolarHBondContact O-CB 3.5Å; P313-F339 HydrophobicContact CB-CD1 4.48Å; P313-F339 HydrophobicContact CB-CE1 3.99Å; P313-F339 HydrophobicContact CB-CE2 4.31Å; P313-F339 HydrophobicContact CB-CZ 3.89Å; P313-F339 VanDerWaalsContact CD-CE2 3.47Å; P313-F339 HydrophobicContact CG-CE1 4.48Å; P313-F339 HydrophobicContact CG-CE2 4.26Å; P313-F339 HydrophobicContact CG-CZ 3.92Å; F339-H341 HydrophobicContact CE1-CB 4.16Å; F339-F344 HydrophobicContact CE2-CB 3.75Å; F339-F344 HydrophobicContact CE2-CD1 4.28Å; F339-F344 AromaticContact CE2-CD2 3.99Å; F339-F344 HydrophobicContact CE2-CD2 3.99Å; F339-F344 AromaticContact CE2-CG 3.76Å; F339-F344 HydrophobicContact CE2-CG 3.76Å; F339-F344 HydrophobicContact CZ-CB 3.57Å; F339-F344 AromaticContact CZ-CD1 3.77Å; F339-F344 HydrophobicContact CZ-CD1 3.77Å; F339-F344 HydrophobicContact CZ-CD2 4.31Å; F339-F344 AromaticContact CZ-CG 3.63Å; F339-F344 HydrophobicContact CZ-CG 3.63Å
340D89.5Confident86.7Confident57 Ų5762 Ų6231%0.30536%0.363SS..  trans-113.1121.4172.2-176.5-54.7000110A342 V343 F344 G352 V354D340-A342 WeakPolarHBondContact OD1-CA 3.16Å; D340-A342 WeakPolarHBondContact OD1-CB 3.42Å; D340-A342 PolarHBondContact OD1-N 2.78Å; D340-V343 HydrophobicContact CB-CB 4.04Å; D340-V343 HydrophobicContact CB-CG2 3.86Å; D340-V343 PolarHBondContact O-N 2.91Å; D340-V343 PolarHBondContact OD1-N 2.84Å; D340-F344 WeakPolarHBondContact O-CB 3.5Å; D340-F344 PolarHBondContact O-N 3.06Å; D340-G352 PolarHBondContact N-O 3.32Å; D340-V354 HydrophobicContact CB-CG2 3.93Å
341H87.3Confident86.5Confident107 Ų10763.1 Ų63.150%0.49537%0.371SS..Hα-helixtrans-68.4-33.2-177.6-167.6-82.5000113.1F339 F344 E345F339-H341 HydrophobicContact CE1-CB 4.16Å; H341-F344 WeakPolarHBondContact O-CB 3.17Å; H341-F344 PolarHBondContact O-N 3.31Å; H341-E345 VanDerWaalsContact CE1-CD 3.42Å; H341-E345 IonicContact CE1-OE1 3.23Å; H341-E345 PolarHBondContact CE1-OE1 2.94Å; H341-E345 VanDerWaalsContact CE1-OE1 3.3Å; H341-E345 IonicContact CE1-OE2 3.39Å; H341-E345 IonicContact ND1-OE1 2.68Å; H341-E345 IonicContact ND1-OE2 3.16Å; H341-E345 WeakPolarHBondContact O-CG 3.17Å; H341-E345 PolarHBondContact O-N 3.45Å
342A80.7Confident86.5Confident64 Ų6461.7 Ų61.753%0.52936%0.363SS..Hα-helixtrans-73-36.3178.300000111.1D340 F344 A346D340-A342 WeakPolarHBondContact OD1-CA 3.16Å; D340-A342 WeakPolarHBondContact OD1-CB 3.42Å; D340-A342 PolarHBondContact OD1-N 2.78Å; A342-F344 VanDerWaalsContact C-N 3.34Å; A342-A346 WeakPolarHBondContact O-CB 3.19Å; A342-A346 PolarHBondContact O-N 3.06Å
343V86.1Confident86.6Confident33 Ų3358.8 Ų58.820%0.233%0.333CS..Hα-helixtrans-64.4-40.9170.1179.30000110.5D340 A346 S347 V354D340-V343 HydrophobicContact CB-CB 4.04Å; D340-V343 HydrophobicContact CB-CG2 3.86Å; D340-V343 PolarHBondContact O-N 2.91Å; D340-V343 PolarHBondContact OD1-N 2.84Å; V343-A346 PolarHBondContact O-N 2.75Å; V343-S347 WeakPolarHBondContact O-CB 3.48Å; V343-S347 PolarHBondContact O-N 2.85Å; V343-S347 PolarHBondContact O-OG 2.87Å; V343-V354 HydrophobicContact CB-CG2 4.39Å; V343-V354 HydrophobicContact CG1-CG2 4.43Å; V343-V354 HydrophobicContact CG2-CG2 3.86Å
344F89Confident86.7Confident18 Ų1859.9 Ų59.98%0.07934%0.34CS..Hα-helixtrans-61.6-47.2176.2-172.6-122.5000112.6L312 P313 F339 D340 H341 A342 S347 F349 S351L312-F344 HydrophobicContact CD2-CD2 4.28Å; L312-F344 HydrophobicContact CD2-CE2 3.46Å; L312-F344 VanDerWaalsContact CD2-CE2 3.46Å; L312-F344 HydrophobicContact CD2-CZ 4.16Å; P313-F344 HydrophobicContact CG-CE1 4.22Å; P313-F344 HydrophobicContact CG-CZ 4.47Å; F339-F344 HydrophobicContact CE2-CB 3.75Å; F339-F344 HydrophobicContact CE2-CD1 4.28Å; F339-F344 AromaticContact CE2-CD2 3.99Å; F339-F344 HydrophobicContact CE2-CD2 3.99Å; F339-F344 AromaticContact CE2-CG 3.76Å; F339-F344 HydrophobicContact CE2-CG 3.76Å; F339-F344 HydrophobicContact CZ-CB 3.57Å; F339-F344 AromaticContact CZ-CD1 3.77Å; F339-F344 HydrophobicContact CZ-CD1 3.77Å; F339-F344 HydrophobicContact CZ-CD2 4.31Å; F339-F344 AromaticContact CZ-CG 3.63Å; F339-F344 HydrophobicContact CZ-CG 3.63Å; D340-F344 WeakPolarHBondContact O-CB 3.5Å; D340-F344 PolarHBondContact O-N 3.06Å; H341-F344 WeakPolarHBondContact O-CB 3.17Å; H341-F344 PolarHBondContact O-N 3.31Å; A342-F344 VanDerWaalsContact C-N 3.34Å; F344-S347 PolarHBondContact O-N 2.93Å; F344-S347 PolarHBondContact O-OG 2.61Å; F344-F349 AromaticContact CD1-CD1 3.92Å; F344-F349 HydrophobicContact CD1-CD1 3.92Å; F344-F349 HydrophobicContact CE1-CB 3.97Å; F344-F349 AromaticContact CE1-CD1 3.66Å; F344-F349 HydrophobicContact CE1-CD1 3.66Å; F344-F349 HydrophobicContact CE1-CG 4.32Å; F344-F349 HydrophobicContact CE2-CB 4.21Å; F344-F349 VanDerWaalsContact CE2-O 3.26Å; F344-F349 WeakPolarHBondContact CE2-O 3.39Å; F344-F349 HydrophobicContact CZ-CB 3.75Å; F344-F349 HydrophobicContact CZ-CD1 4.32Å; F344-F349 WeakPolarHBondContact CZ-O 3.1Å; F344-F349 WeakPolarHBondContact O-CA 3.44Å; F344-F349 PolarHBondContact O-N 2.73Å; F344-S351 WeakPolarHBondContact CA-O 2.97Å
345E81.5Confident87Confident102 Ų10259.9 Ų59.948%0.47734%0.338SS..Hα-helixtrans-64.4-45175.2-73-176.9141.700112.1H341 S347 G348 F349H341-E345 VanDerWaalsContact CE1-CD 3.42Å; H341-E345 IonicContact CE1-OE1 3.23Å; H341-E345 PolarHBondContact CE1-OE1 2.94Å; H341-E345 VanDerWaalsContact CE1-OE1 3.3Å; H341-E345 IonicContact CE1-OE2 3.39Å; H341-E345 IonicContact ND1-OE1 2.68Å; H341-E345 IonicContact ND1-OE2 3.16Å; H341-E345 WeakPolarHBondContact O-CG 3.17Å; H341-E345 PolarHBondContact O-N 3.45Å; E345-S347 PolarHBondContact O-N 2.89Å; E345-G348 PolarHBondContact O-N 3.3Å; E345-F349 HydrophobicContact CG-CE1 3.84Å; E345-F349 HydrophobicContact CG-CZ 4.28Å
346A78.1Confident87.3Confident92 Ų9256 Ų5676%0.7631%0.313SS*.Hα-helixtrans-64.3-25.7178.100000113.4A342 V343 G348A342-A346 WeakPolarHBondContact O-CB 3.19Å; A342-A346 PolarHBondContact O-N 3.06Å; V343-A346 PolarHBondContact O-N 2.75Å; A346-G348 VanDerWaalsContact C-N 3.27Å; A346-G348 PolarHBondContact O-N 3.17Å
347S80.6Confident87.3Confident35 Ų3554.3 Ų54.325%0.24532%0.316CS..THydrogen-bonded Turntrans-80.4-0.2172.679.50000114.3V343 F344 E345 T350 S351V343-S347 WeakPolarHBondContact O-CB 3.48Å; V343-S347 PolarHBondContact O-N 2.85Å; V343-S347 PolarHBondContact O-OG 2.87Å; F344-S347 PolarHBondContact O-N 2.93Å; F344-S347 PolarHBondContact O-OG 2.61Å; E345-S347 PolarHBondContact O-N 2.89Å; S347-T350 WeakPolarHBondContact CB-OG1 3.49Å; S347-T350 PolarHBondContact O-OG1 3.02Å; S347-T350 PolarHBondContact OG-N 3.48Å; S347-T350 PolarHBondContact OG-OG1 3.38Å; S347-S351 VanDerWaalsContact CB-O 3.31Å; S347-S351 WeakPolarHBondContact CB-O 3.37Å; S347-S351 PolarHBondContact OG-N 3.29Å; S347-S351 PolarHBondContact OG-O 2.69Å
348G77.5Confident87.2Confident48 Ų4854.8 Ų54.850%0.49532%0.319SS..THydrogen-bonded Turntrans72.536-173.300000113.4E345 A346E345-G348 PolarHBondContact O-N 3.3Å; A346-G348 VanDerWaalsContact C-N 3.27Å; A346-G348 PolarHBondContact O-N 3.17Å
349F84.4Confident87.2Confident131 Ų13156.3 Ų56.358%0.57533%0.326SS*.SBendtrans64.137-177.2-48.7-83.9000114.1F344 E345F344-F349 AromaticContact CD1-CD1 3.92Å; F344-F349 HydrophobicContact CD1-CD1 3.92Å; F344-F349 HydrophobicContact CE1-CB 3.97Å; F344-F349 AromaticContact CE1-CD1 3.66Å; F344-F349 HydrophobicContact CE1-CD1 3.66Å; F344-F349 HydrophobicContact CE1-CG 4.32Å; F344-F349 HydrophobicContact CE2-CB 4.21Å; F344-F349 VanDerWaalsContact CE2-O 3.26Å; F344-F349 WeakPolarHBondContact CE2-O 3.39Å; F344-F349 HydrophobicContact CZ-CB 3.75Å; F344-F349 HydrophobicContact CZ-CD1 4.32Å; F344-F349 WeakPolarHBondContact CZ-O 3.1Å; F344-F349 WeakPolarHBondContact O-CA 3.44Å; F344-F349 PolarHBondContact O-N 2.73Å; E345-F349 HydrophobicContact CG-CE1 3.84Å; E345-F349 HydrophobicContact CG-CZ 4.28Å
350T82.8Confident87.3Confident85 Ų8557.1 Ų57.152%0.52133%0.33SS..SBendtrans-114.4-31.6-175.863.50000115.5K326 S347K326-T350 PolarHBondContact NZ-O 3.38Å; S347-T350 WeakPolarHBondContact CB-OG1 3.49Å; S347-T350 PolarHBondContact O-OG1 3.02Å; S347-T350 PolarHBondContact OG-N 3.48Å; S347-T350 PolarHBondContact OG-OG1 3.38Å
351S88.5Confident87.4Confident25 Ų2557.7 Ų57.718%0.17533%0.334CS..  trans-159.4122.9-178.21680000110.1D311 F344 S347D311-S351 WeakPolarHBondContact OD1-CA 3.1Å; D311-S351 WeakPolarHBondContact OD1-CB 3.39Å; D311-S351 PolarHBondContact OD1-OG 3.18Å; D311-S351 PolarHBondContact OD2-OG 2.76Å; F344-S351 WeakPolarHBondContact CA-O 2.97Å; S347-S351 VanDerWaalsContact CB-O 3.31Å; S347-S351 WeakPolarHBondContact CB-O 3.37Å; S347-S351 PolarHBondContact OG-N 3.29Å; S347-S351 PolarHBondContact OG-O 2.69Å
352G90.7Very high87.6Confident0 Ų052.7 Ų52.70%031%0.311CS..  trans-116.61.5175.600000113.8D311 D340 V354D311-G352 PolarHBondContact O-N 3.41Å; D311-G352 PolarHBondContact OD1-N 3.37Å; D340-G352 PolarHBondContact N-O 3.32Å; G352-V354 PolarHBondContact O-N 3.11Å
353G91.7Very high88.1Confident1 Ų153.6 Ų53.61%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-72.1126.9-17700000112.3D311D311-G353 WeakPolarHBondContact OD1-CA 3.21Å; D311-G353 PolarHBondContact OD1-N 2.64Å
354V94.2Very high88.2Confident25 Ų2553.8 Ų53.815%0.15231%0.314CS..EExtended strand (participates in β ladder)trans-117.7126.9173.2-178.30000109.1C337 H338 D340 V343 G352 K365C337-V354 WeakPolarHBondContact CA-O 3.47Å; C337-V354 WeakPolarHBondContact CB-O 3.34Å; H338-V354 PolarHBondContact N-O 3.25Å; H338-V354 VanDerWaalsContact N-O 3.09Å; H338-V354 PolarHBondContact O-N 2.69Å; D340-V354 HydrophobicContact CB-CG2 3.93Å; V343-V354 HydrophobicContact CB-CG2 4.39Å; V343-V354 HydrophobicContact CG1-CG2 4.43Å; V343-V354 HydrophobicContact CG2-CG2 3.86Å; G352-V354 PolarHBondContact O-N 3.11Å; V354-K365 HydrophobicContact CG1-CB 4.4Å
355C93.5Very high88.2Confident11 Ų1157.6 Ų57.67%0.07433%0.33CS..EExtended strand (participates in β ladder)trans-78.7132.2-176.4-61.10000112.5C330 K365C330-C355 WeakPolarHBondContact CA-SG 3.42Å; C330-C355 HydrophobicContact CB-CB 3.85Å; C330-C355 WeakPolarHBondContact CB-SG 3.37Å; C330-C355 WeakPolarHBondContact SG-CB 3.27Å; C330-C355 CovalentContact SG-SG 2.02Å; C330-C355 PolarHBondContact SG-SG 2.7Å; C355-K365 WeakPolarHBondContact CB-O 3.3Å; C355-K365 PolarHBondContact N-O 2.75Å; C355-K365 PolarHBondContact SG-O 2.68Å
356D89.9Confident88.7Confident42 Ų4253.8 Ų53.823%0.22531%0.313CS..SBendtrans-92.8144.9176-51.9-50.6000110.5R336 C337 H338 C358R336-D356 HydrophobicContact CB-CB 4.16Å; R336-D356 PolarHBondContact O-N 2.6Å; C337-D356 WeakPolarHBondContact CA-OD2 3.02Å; C337-D356 PolarHBondContact N-OD2 2.87Å; H338-D356 IonicContact CE1-OD1 3.79Å; H338-D356 PolarHBondContact CE1-OD1 2.75Å; H338-D356 IonicContact ND1-OD1 3.72Å; H338-D356 PolarHBondContact ND1-OD1 3.37Å; H338-D356 IonicContact ND1-OD2 3.27Å; D356-C358 PolarHBondContact O-N 2.97Å
357D90.1Very high89.4Confident119 Ų11949.4 Ų49.464%0.63628%0.277SS*.SBendtrans52.850.6170.1-64.5-40000116.9Q359D357-Q359 PolarHBondContact O-N 3.48Å; D357-Q359 VanDerWaalsContact O-N 3.16Å; D357-Q359 PolarHBondContact O-NE2 2.78Å
358C91.4Very high89.9Confident18 Ų1851 Ų5112%0.12228%0.28CS..  trans-49.5118177.8-63.20000114.6D356 T362 C367 K371D356-C358 PolarHBondContact O-N 2.97Å; C358-T362 VanDerWaalsContact CB-O 3.23Å; C358-T362 WeakPolarHBondContact CB-O 3.29Å; C358-C367 VanDerWaalsContact CA-SG 3.54Å; C358-C367 HydrophobicContact CB-CB 3.76Å; C358-C367 WeakPolarHBondContact CB-SG 3.33Å; C358-C367 WeakPolarHBondContact SG-CA 2.85Å; C358-C367 WeakPolarHBondContact SG-CB 3.29Å; C358-C367 CovalentContact SG-SG 2.04Å; C358-C367 PolarHBondContact SG-SG 2.63Å; C358-K371 PolarHBondContact O-NZ 2.68Å
359Q91.8Very high90.5Very high111 Ų11150.7 Ų50.752%0.51927%0.274SS..  trans-84.7-173.7-178.1-60.9-58.3-43.300112.6H333 D357 N361 T362H333-Q359 WeakPolarHBondContact O-CB 2.98Å; H333-Q359 PolarHBondContact O-N 2.84Å; D357-Q359 PolarHBondContact O-N 3.48Å; D357-Q359 VanDerWaalsContact O-N 3.16Å; D357-Q359 PolarHBondContact O-NE2 2.78Å; Q359-N361 PolarHBondContact O-N 2.64Å; Q359-T362 PolarHBondContact O-N 2.73Å; Q359-T362 PolarHBondContact O-OG1 3.4Å
360H93.2Very high90.8Very high75 Ų7545.1 Ų45.135%0.34725%0.25SS..THydrogen-bonded Turntrans51.427.1171.8-48.4142.3000116.1H333 T362 P385H333-H360 AromaticContact CE1-CG 3.86Å; H333-H360 AromaticContact CE1-ND1 3.4Å; H333-H360 PolarHBondContact CE1-ND1 3.48Å; H333-H360 VanDerWaalsContact ND1-CB 3.3Å; H333-H360 WeakPolarHBondContact ND1-CB 3.34Å; H333-H360 AromaticContact ND1-CG 3.45Å; H333-H360 AromaticContact ND1-ND1 2.94Å; H333-H360 PolarHBondContact ND1-ND1 3.25Å; H360-T362 VanDerWaalsContact C-N 3.28Å; H360-T362 PolarHBondContact O-N 2.73Å; H360-P385 WeakPolarHBondContact CB-O 3.18Å
361N92.3Very high91.2Very high69 Ų6944.5 Ų44.537%0.36924%0.241SC..THydrogen-bonded Turntrans61.126.4-173.4-52.7-53.9000115.3Q359 K371 F374 C388Q359-N361 PolarHBondContact O-N 2.64Å; N361-K371 WeakPolarHBondContact O-CG 3.5Å; N361-K371 PolarHBondContact O-N 2.67Å; N361-F374 HydrophobicContact CB-CD1 4.24Å; N361-F374 HydrophobicContact CB-CD2 4.2Å; N361-F374 HydrophobicContact CB-CE1 4.32Å; N361-F374 HydrophobicContact CB-CE2 4.28Å; N361-F374 HydrophobicContact CB-CG 4.2Å; N361-F374 HydrophobicContact CB-CZ 4.34Å; N361-F374 WeakPolarHBondContact ND2-CE1 3.03Å; N361-C388 HydrophobicContact CB-CB 4.2Å
362T92.7Very high91Very high3 Ų347 Ų472%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-94.7162.6170.461.90000113.3H333 C358 Q359 H360 C367 A369 K371 V387H333-T362 WeakPolarHBondContact CB-OG1 3.19Å; C358-T362 VanDerWaalsContact CB-O 3.23Å; C358-T362 WeakPolarHBondContact CB-O 3.29Å; Q359-T362 PolarHBondContact O-N 2.73Å; Q359-T362 PolarHBondContact O-OG1 3.4Å; H360-T362 VanDerWaalsContact C-N 3.28Å; H360-T362 PolarHBondContact O-N 2.73Å; T362-C367 WeakPolarHBondContact CB-O 3.15Å; T362-C367 PolarHBondContact OG1-O 3.38Å; T362-A369 CarbonylContact C-O 3.54Å; T362-A369 WeakPolarHBondContact CA-O 3.35Å; T362-A369 WeakPolarHBondContact CB-O 2.91Å; T362-K371 WeakPolarHBondContact O-CE 2.71Å; T362-V387 HydrophobicContact CG2-CG1 4.33Å
363M91.2Very high91Very high83 Ų8352 Ų5241%0.40928%0.276SS..EExtended strand (participates in β ladder)trans-152.3174.3177.956156.649.100109.9C367 E368 A369 K371M363-C367 CarbonylContact O-C 3.53Å; M363-E368 PolarHBondContact O-N 3.49Å; M363-E368 VanDerWaalsContact O-N 3.09Å; M363-A369 HydrophobicContact CG-CB 4.37Å; M363-A369 PolarHBondContact N-O 2.72Å; M363-A369 PolarHBondContact O-N 2.69Å; M363-K371 HydrophobicContact CB-CG 4.13Å; M363-K371 HydrophobicContact CE-CB 4.31Å; M363-K371 HydrophobicContact CE-CG 3.98Å; M363-K371 HydrophobicContact CG-CG 4.13Å
364G87.6Confident91Very high37 Ų3754.4 Ų54.438%0.38129%0.286SS..SBendtrans103.6166.9-171.400000111.3N366 C367 E368G364-N366 PolarHBondContact O-N 3.45Å; G364-C367 PolarHBondContact O-N 2.7Å; G364-C367 VanDerWaalsContact O-N 3.15Å; G364-E368 VanDerWaalsContact CA-OE2 3.27Å; G364-E368 WeakPolarHBondContact CA-OE2 3.09Å
365K89.6Confident90.9Very high97 Ų9755.8 Ų55.842%0.42229%0.289SS..THydrogen-bonded Turntrans-68.6-20.9-173.651.7153.1-173.1168.70113.4V354 C355 E368V354-K365 HydrophobicContact CG1-CB 4.4Å; C355-K365 WeakPolarHBondContact CB-O 3.3Å; C355-K365 PolarHBondContact N-O 2.75Å; C355-K365 PolarHBondContact SG-O 2.68Å; K365-E368 PolarHBondContact N-OE2 2.78Å
366N92Very high90.7Very high22 Ų2259.4 Ų59.412%0.11830%0.301CS..THydrogen-bonded Turntrans-116.412.9176.6-65.398.6000111N329 C330 N331 G364 E368N329-N366 WeakPolarHBondContact O-CA 2.98Å; N329-N366 VanDerWaalsContact O-CB 3.29Å; N329-N366 WeakPolarHBondContact O-CB 2.76Å; N329-N366 PolarHBondContact O-ND2 2.68Å; C330-N366 CarbonylContact C-O 3.57Å; C330-N366 VanDerWaalsContact C-O 3.25Å; C330-N366 WeakPolarHBondContact CA-O 3.45Å; N331-N366 PolarHBondContact ND2-O 3.49Å; G364-N366 PolarHBondContact O-N 3.45Å; N366-E368 VanDerWaalsContact C-N 3.3Å; N366-E368 VanDerWaalsContact C-OE2 3.22Å; N366-E368 VanDerWaalsContact CA-OE2 3.28Å; N366-E368 WeakPolarHBondContact CA-OE2 3.16Å; N366-E368 HydrophobicContact CB-CB 4.44Å; N366-E368 WeakPolarHBondContact CB-OE2 3.06Å; N366-E368 PolarHBondContact N-OE2 2.68Å; N366-E368 PolarHBondContact O-N 2.7Å
367C92.5Very high90.7Very high0 Ų058.3 Ų58.30%030%0.295CS..SBendtrans55.240-172.2-52.10000114H333 C358 T362 M363 G364H333-C367 HydrophobicContact CB-CB 3.51Å; C358-C367 VanDerWaalsContact CA-SG 3.54Å; C358-C367 HydrophobicContact CB-CB 3.76Å; C358-C367 WeakPolarHBondContact CB-SG 3.33Å; C358-C367 WeakPolarHBondContact SG-CA 2.85Å; C358-C367 WeakPolarHBondContact SG-CB 3.29Å; C358-C367 CovalentContact SG-SG 2.04Å; C358-C367 PolarHBondContact SG-SG 2.63Å; T362-C367 WeakPolarHBondContact CB-O 3.15Å; T362-C367 PolarHBondContact OG1-O 3.38Å; M363-C367 CarbonylContact O-C 3.53Å; G364-C367 PolarHBondContact O-N 2.7Å; G364-C367 VanDerWaalsContact O-N 3.15Å
368E89.7Confident90.3Very high68 Ų6856.8 Ų56.832%0.31829%0.291SS..  trans-94.1-13.2-166.570.8-84.3-155.700116M363 G364 K365 N366 I382M363-E368 PolarHBondContact O-N 3.49Å; M363-E368 VanDerWaalsContact O-N 3.09Å; G364-E368 VanDerWaalsContact CA-OE2 3.27Å; G364-E368 WeakPolarHBondContact CA-OE2 3.09Å; K365-E368 PolarHBondContact N-OE2 2.78Å; N366-E368 VanDerWaalsContact C-N 3.3Å; N366-E368 VanDerWaalsContact C-OE2 3.22Å; N366-E368 VanDerWaalsContact CA-OE2 3.28Å; N366-E368 WeakPolarHBondContact CA-OE2 3.16Å; N366-E368 HydrophobicContact CB-CB 4.44Å; N366-E368 WeakPolarHBondContact CB-OE2 3.06Å; N366-E368 PolarHBondContact N-OE2 2.68Å; N366-E368 PolarHBondContact O-N 2.7Å; E368-I382 HydrophobicContact CB-CD1 4.09Å; E368-I382 WeakPolarHBondContact O-CD1 3.47Å
369A90Very high89.9Confident43 Ų4362.9 Ų62.936%0.35532%0.323SS..EExtended strand (participates in β ladder)trans-119.1161.2-178.700000111.7T362 M363T362-A369 CarbonylContact C-O 3.54Å; T362-A369 WeakPolarHBondContact CA-O 3.35Å; T362-A369 WeakPolarHBondContact CB-O 2.91Å; M363-A369 HydrophobicContact CG-CB 4.37Å; M363-A369 PolarHBondContact N-O 2.72Å; M363-A369 PolarHBondContact O-N 2.69Å
370C92.1Very high89.8Confident13 Ų1361.3 Ų61.39%0.08831%0.312CS..EExtended strand (participates in β ladder)trans-87.6145.5174.7-66.30000112.4F374 C388C370-F374 HydrophobicContact CB-CB 4.17Å; C370-C388 WeakPolarHBondContact CA-SG 3.36Å; C370-C388 HydrophobicContact CB-CB 3.86Å; C370-C388 WeakPolarHBondContact CB-SG 3.43Å; C370-C388 WeakPolarHBondContact SG-CA 3.45Å; C370-C388 WeakPolarHBondContact SG-CB 3.45Å; C370-C388 CovalentContact SG-SG 2.04Å; C370-C388 PolarHBondContact SG-SG 2.93Å
371K89.7Confident89.4Confident73 Ų7362.8 Ų62.832%0.31732%0.323SS..PPolyproline II helixtrans-64.4151.7172.2-65178.4-164.3-176.80110.2C358 N361 T362 M363 F374C358-K371 PolarHBondContact O-NZ 2.68Å; N361-K371 WeakPolarHBondContact O-CG 3.5Å; N361-K371 PolarHBondContact O-N 2.67Å; T362-K371 WeakPolarHBondContact O-CE 2.71Å; M363-K371 HydrophobicContact CB-CG 4.13Å; M363-K371 HydrophobicContact CE-CB 4.31Å; M363-K371 HydrophobicContact CE-CG 3.98Å; M363-K371 HydrophobicContact CG-CG 4.13Å; K371-F374 WeakPolarHBondContact O-CB 3.22Å; K371-F374 PolarHBondContact O-N 2.73Å
372P85.7Confident89.2Confident76 Ų7661.2 Ų61.249%0.49431%0.314SS..THydrogen-bonded Turntrans-50.5150.5175.7-28.435.1000113.4F374P372-F374 PolarHBondContact O-N 3.29Å
373Y89.4Confident88.9Confident106 Ų10664 Ų6442%0.41633%0.334SS..THydrogen-bonded Turntrans68.11.5-167.4-49.2-83.5000115.5P390 C391 I403Y373-P390 WeakPolarHBondContact O-CA 3.02Å; Y373-C391 VanDerWaalsContact C-SG 3.53Å; Y373-C391 PolarHBondContact O-N 3.3Å; Y373-C391 PolarHBondContact O-SG 2.94Å; Y373-C391 VanDerWaalsContact O-SG 3.37Å; Y373-I403 HydrophobicContact CD1-CG1 3.77Å; Y373-I403 HydrophobicContact CE1-CD1 4.22Å; Y373-I403 HydrophobicContact CE1-CG1 3.41Å; Y373-I403 VanDerWaalsContact CE1-CG1 3.41Å; Y373-I403 HydrophobicContact CE2-CG1 4.37Å; Y373-I403 HydrophobicContact CG-CG1 4.4Å
374F92.5Very high88.8Confident51 Ų5162.2 Ų62.222%0.22433%0.326CS..EExtended strand (participates in β ladder)trans-121.2150167.5-60.6-102.6000111.1N361 C370 K371 P372 C388 R389 P390N361-F374 HydrophobicContact CB-CD1 4.24Å; N361-F374 HydrophobicContact CB-CD2 4.2Å; N361-F374 HydrophobicContact CB-CE1 4.32Å; N361-F374 HydrophobicContact CB-CE2 4.28Å; N361-F374 HydrophobicContact CB-CG 4.2Å; N361-F374 HydrophobicContact CB-CZ 4.34Å; N361-F374 WeakPolarHBondContact ND2-CE1 3.03Å; C370-F374 HydrophobicContact CB-CB 4.17Å; K371-F374 WeakPolarHBondContact O-CB 3.22Å; K371-F374 PolarHBondContact O-N 2.73Å; P372-F374 PolarHBondContact O-N 3.29Å; F374-C388 HydrophobicContact CB-CB 4.02Å; F374-C388 HydrophobicContact CD1-CB 4.41Å; F374-R389 CarbonylContact C-O 2.85Å; F374-R389 WeakPolarHBondContact CA-O 3.49Å; F374-R389 WeakPolarHBondContact CB-O 3.3Å; F374-P390 HydrophobicContact CD1-CB 4.27Å; F374-P390 HydrophobicContact CE1-CB 4.14Å
375Y91.5Very high88.9Confident55 Ų5563.3 Ų63.322%0.21633%0.326CS..EExtended strand (participates in β ladder)trans-124.5153.7173.769.9-90.7000111.1D377 C388 R389 P390 D405 S406 G417Y375-D377 PolarHBondContact O-N 2.7Å; Y375-C388 CarbonylContact O-C 3.52Å; Y375-C388 WeakPolarHBondContact O-CA 3.48Å; Y375-R389 HydrophobicContact CD1-CB 4.22Å; Y375-R389 VanDerWaalsContact CD1-O 3.27Å; Y375-R389 WeakPolarHBondContact CD1-O 3.33Å; Y375-R389 HydrophobicContact CD2-CB 4.46Å; Y375-R389 HydrophobicContact CE1-CB 3.75Å; Y375-R389 HydrophobicContact CE2-CB 4.01Å; Y375-R389 HydrophobicContact CE2-CG 4.46Å; Y375-R389 PolarHBondContact N-O 3.04Å; Y375-R389 PolarHBondContact O-N 3.19Å; Y375-P390 WeakPolarHBondContact CE1-O 3.41Å; Y375-D405 VanDerWaalsContact CB-O 3.27Å; Y375-D405 WeakPolarHBondContact CB-O 3.37Å; Y375-S406 CarbonylContact C-O 3.45Å; Y375-S406 WeakPolarHBondContact CA-O 3.22Å; Y375-G417 VanDerWaalsContact CD1-CA 3.47Å; Y375-G417 VanDerWaalsContact CG-CA 3.47Å
376R90.5Very high88.9Confident87 Ų8766.4 Ų66.433%0.32834%0.336SS..EExtended strand (participates in β ladder)trans-74.7115.6176.1-177.6176.5177.8175.7-1.2110.2P378 V387 S406 S416R376-P378 VanDerWaalsContact O-CD 3.26Å; R376-P378 WeakPolarHBondContact O-CD 3.29Å; R376-V387 HydrophobicContact CG-CG2 3.98Å; R376-S406 PolarHBondContact N-O 2.74Å; R376-S416 VanDerWaalsContact O-CB 3.28Å; R376-S416 WeakPolarHBondContact O-CB 3.35Å; R376-S416 PolarHBondContact O-OG 2.72Å
377D89.1Confident88.9Confident19 Ų1965.5 Ų65.510%0.10233%0.331CS..  trans-63.5110.5171.3-172.6-20.7000108.7Y375 N379 R380 V387 R389Y375-D377 PolarHBondContact O-N 2.7Å; D377-N379 PolarHBondContact O-N 2.77Å; D377-N379 WeakPolarHBondContact OD1-CB 3.15Å; D377-N379 PolarHBondContact OD1-N 2.74Å; D377-N379 VanDerWaalsContact OD1-N 3.17Å; D377-N379 PolarHBondContact OD1-ND2 2.67Å; D377-R380 HydrophobicContact CB-CB 4.23Å; D377-R380 HydrophobicContact CB-CG 4.14Å; D377-R380 PolarHBondContact O-N 3.14Å; D377-R380 IonicContact OD2-NE 3.87Å; D377-R380 PolarHBondContact OD2-NE 2.71Å; D377-V387 PolarHBondContact N-O 3.2Å; D377-R389 HydrophobicContact CB-CG 3.83Å; D377-R389 IonicContact OD2-CZ 4Å; D377-R389 IonicContact OD2-NE 3.94Å; D377-R389 PolarHBondContact OD2-NE 3.35Å; D377-R389 IonicContact OD2-NH2 3.89Å
378P82.8Confident89Confident86 Ų8665.9 Ų65.956%0.55833%0.334SS*.THydrogen-bonded Turntrans-67.4-8.9-174.428.5-34.9000113.1R376R376-P378 VanDerWaalsContact O-CD 3.26Å; R376-P378 WeakPolarHBondContact O-CD 3.29Å
379N82.6Confident89.1Confident146 Ų14667 Ų6778%0.78134%0.336SS*.THydrogen-bonded Turntrans-94-2177-46.8-81000113.1D377D377-N379 PolarHBondContact O-N 2.77Å; D377-N379 WeakPolarHBondContact OD1-CB 3.15Å; D377-N379 PolarHBondContact OD1-N 2.74Å; D377-N379 VanDerWaalsContact OD1-N 3.17Å; D377-N379 PolarHBondContact OD1-ND2 2.67Å
380R88.4Confident89.1Confident78 Ų7868.7 Ų68.729%0.29434%0.343SS..SBendtrans-110.2146.6179.5-71.2-176.8177.6-101.2-12.8111.5D377 D384 Y386 V387D377-R380 HydrophobicContact CB-CB 4.23Å; D377-R380 HydrophobicContact CB-CG 4.14Å; D377-R380 PolarHBondContact O-N 3.14Å; D377-R380 IonicContact OD2-NE 3.87Å; D377-R380 PolarHBondContact OD2-NE 2.71Å; R380-D384 HydrophobicContact CB-CB 4.21Å; R380-D384 IonicContact CZ-OD1 2.77Å; R380-D384 IonicContact CZ-OD2 2.61Å; R380-D384 IonicContact NH1-OD1 2.66Å; R380-D384 PolarHBondContact NH1-OD1 2.78Å; R380-D384 IonicContact NH1-OD2 3.5Å; R380-D384 PolarHBondContact NH1-OD2 3.28Å; R380-Y386 WeakPolarHBondContact CD-O 3.19Å; R380-V387 HydrophobicContact CB-CB 4.34Å; R380-V387 HydrophobicContact CB-CG2 4.09Å
381N85.2Confident89Confident106 Ų10669.4 Ų69.457%0.56735%0.348SS*.  trans-66.2149.4171.1-164.2-49.9000109.5S383 D384 V387N381-S383 PolarHBondContact O-N 3.06Å; N381-S383 VanDerWaalsContact O-N 3.12Å; N381-S383 PolarHBondContact OD1-N 3.15Å; N381-S383 PolarHBondContact OD1-OG 3.36Å; N381-D384 WeakPolarHBondContact O-CB 3.05Å; N381-D384 PolarHBondContact O-N 3.49Å; N381-V387 WeakPolarHBondContact O-CG2 3.18Å
382I87.6Confident89Confident36 Ų3671.6 Ų71.619%0.18536%0.359CS..THydrogen-bonded Turntrans-60.1-18.9176.6-163.5165.2000113.2N331 H333 E368N331-I382 HydrophobicContact CB-CG1 4.5Å; N331-I382 HydrophobicContact CB-CG2 4.49Å; N331-I382 WeakPolarHBondContact OD1-CG2 3.45Å; H333-I382 PolarHBondContact CD2-O 3.03Å; H333-I382 PolarHBondContact NE2-O 2.75Å; E368-I382 HydrophobicContact CB-CD1 4.09Å; E368-I382 WeakPolarHBondContact O-CD1 3.47Å
383S87.9Confident89.2Confident62 Ų6268.7 Ų68.743%0.43434%0.34SS..THydrogen-bonded Turntrans-93.84.7175.956.10000115.5N331 N381N331-S383 WeakPolarHBondContact O-CA 3.43Å; N331-S383 VanDerWaalsContact O-CB 3.25Å; N331-S383 WeakPolarHBondContact O-CB 3.42Å; N381-S383 PolarHBondContact O-N 3.06Å; N381-S383 VanDerWaalsContact O-N 3.12Å; N381-S383 PolarHBondContact OD1-N 3.15Å; N381-S383 PolarHBondContact OD1-OG 3.36Å
384D88.7Confident89.1Confident45 Ų4565.4 Ų65.424%0.24133%0.33CS..  trans-76.9127.4177.4-175.8-70.4000110.7R380 N381 Y386 V387R380-D384 HydrophobicContact CB-CB 4.21Å; R380-D384 IonicContact CZ-OD1 2.77Å; R380-D384 IonicContact CZ-OD2 2.61Å; R380-D384 IonicContact NH1-OD1 2.66Å; R380-D384 PolarHBondContact NH1-OD1 2.78Å; R380-D384 IonicContact NH1-OD2 3.5Å; R380-D384 PolarHBondContact NH1-OD2 3.28Å; N381-D384 WeakPolarHBondContact O-CB 3.05Å; N381-D384 PolarHBondContact O-N 3.49Å; D384-Y386 PolarHBondContact O-N 3.02Å; D384-Y386 WeakPolarHBondContact OD1-CA 3.46Å; D384-Y386 PolarHBondContact OD1-N 3.44Å; D384-V387 HydrophobicContact CB-CB 4.3Å; D384-V387 WeakPolarHBondContact O-CB 3.49Å; D384-V387 WeakPolarHBondContact O-CG1 3.3Å; D384-V387 PolarHBondContact O-N 2.84Å; D384-V387 PolarHBondContact OD1-N 3.26Å
385P89.6Confident88.7Confident60 Ų6069.5 Ų69.539%0.3935%0.348SS..THydrogen-bonded Turntrans-57.9-9.4178.8-29.437.3000116.6H360H360-P385 WeakPolarHBondContact CB-O 3.18Å
386Y90.3Very high88.5Confident162 Ų16271.8 Ų71.864%0.63536%0.356SS*.THydrogen-bonded Turntrans-124.222.6176.5-52-79.7000112.6R380 D384 C388R380-Y386 WeakPolarHBondContact CD-O 3.19Å; D384-Y386 PolarHBondContact O-N 3.02Å; D384-Y386 WeakPolarHBondContact OD1-CA 3.46Å; D384-Y386 PolarHBondContact OD1-N 3.44Å; Y386-C388 PolarHBondContact O-N 3.48Å
387V92.2Very high88.4Confident3 Ų367.6 Ų67.62%0.01834%0.34CS..  trans-58.2-34.4174.968.40000112.3T362 R376 D377 R380 N381 D384T362-V387 HydrophobicContact CG2-CG1 4.33Å; R376-V387 HydrophobicContact CG-CG2 3.98Å; D377-V387 PolarHBondContact N-O 3.2Å; R380-V387 HydrophobicContact CB-CB 4.34Å; R380-V387 HydrophobicContact CB-CG2 4.09Å; N381-V387 WeakPolarHBondContact O-CG2 3.18Å; D384-V387 HydrophobicContact CB-CB 4.3Å; D384-V387 WeakPolarHBondContact O-CB 3.49Å; D384-V387 WeakPolarHBondContact O-CG1 3.3Å; D384-V387 PolarHBondContact O-N 2.84Å; D384-V387 PolarHBondContact OD1-N 3.26Å
388C93.3Very high88.3Confident9 Ų967 Ų676%0.06134%0.338CS..EExtended strand (participates in β ladder)trans-89.3110.2176.1-63.80000111.6N361 C370 F374 Y375 Y386N361-C388 HydrophobicContact CB-CB 4.2Å; C370-C388 WeakPolarHBondContact CA-SG 3.36Å; C370-C388 HydrophobicContact CB-CB 3.86Å; C370-C388 WeakPolarHBondContact CB-SG 3.43Å; C370-C388 WeakPolarHBondContact SG-CA 3.45Å; C370-C388 WeakPolarHBondContact SG-CB 3.45Å; C370-C388 CovalentContact SG-SG 2.04Å; C370-C388 PolarHBondContact SG-SG 2.93Å; F374-C388 HydrophobicContact CB-CB 4.02Å; F374-C388 HydrophobicContact CD1-CB 4.41Å; Y375-C388 CarbonylContact O-C 3.52Å; Y375-C388 WeakPolarHBondContact O-CA 3.48Å; Y386-C388 PolarHBondContact O-N 3.48Å
389R91.9Very high88.4Confident91 Ų9166.7 Ų66.734%0.34333%0.331SS..EExtended strand (participates in β ladder)trans-100.6143179.3-63.3-64.6-157.6158.813111.3F374 Y375 D377F374-R389 CarbonylContact C-O 2.85Å; F374-R389 WeakPolarHBondContact CA-O 3.49Å; F374-R389 WeakPolarHBondContact CB-O 3.3Å; Y375-R389 HydrophobicContact CD1-CB 4.22Å; Y375-R389 VanDerWaalsContact CD1-O 3.27Å; Y375-R389 WeakPolarHBondContact CD1-O 3.33Å; Y375-R389 HydrophobicContact CD2-CB 4.46Å; Y375-R389 HydrophobicContact CE1-CB 3.75Å; Y375-R389 HydrophobicContact CE2-CB 4.01Å; Y375-R389 HydrophobicContact CE2-CG 4.46Å; Y375-R389 PolarHBondContact N-O 3.04Å; Y375-R389 PolarHBondContact O-N 3.19Å; D377-R389 HydrophobicContact CB-CG 3.83Å; D377-R389 IonicContact OD2-CZ 4Å; D377-R389 IonicContact OD2-NE 3.94Å; D377-R389 PolarHBondContact OD2-NE 3.35Å; D377-R389 IonicContact OD2-NH2 3.89Å
390P90.9Very high88.1Confident79 Ų7965 Ų6551%0.51332%0.321SS..EExtended strand (participates in β ladder)trans-70.2146.5177.629.7-35000112.4Y373 F374 Y375Y373-P390 WeakPolarHBondContact O-CA 3.02Å; F374-P390 HydrophobicContact CD1-CB 4.27Å; F374-P390 HydrophobicContact CE1-CB 4.14Å; Y375-P390 WeakPolarHBondContact CE1-O 3.41Å
391C89.9Confident87.5Confident27 Ų2768.2 Ų68.218%0.18234%0.34CS..PPolyproline II helixtrans-65.8146.9173.5-56.80000112.6Y373 C404Y373-C391 VanDerWaalsContact C-SG 3.53Å; Y373-C391 PolarHBondContact O-N 3.3Å; Y373-C391 PolarHBondContact O-SG 2.94Å; Y373-C391 VanDerWaalsContact O-SG 3.37Å; C391-C404 HydrophobicContact CB-CB 3.74Å; C391-C404 WeakPolarHBondContact CB-SG 3.5Å; C391-C404 WeakPolarHBondContact SG-CB 3.34Å; C391-C404 PolarHBondContact SG-N 2.95Å; C391-C404 CovalentContact SG-SG 2.03Å; C391-C404 PolarHBondContact SG-SG 2.94Å
392E89.6Confident87.3Confident120 Ų12063.4 Ų63.456%0.56132%0.316SS*.  trans-113.233.5-179.4-62.5-165149.800114.3R429E392-R429 WeakPolarHBondContact O-CD 3.29Å; E392-R429 VanDerWaalsContact O-CG 3.26Å; E392-R429 WeakPolarHBondContact O-CG 3.18Å; E392-R429 IonicContact OE1-NH2 2.66Å; E392-R429 IonicContact OE2-CZ 2.98Å; E392-R429 VanDerWaalsContact OE2-CZ 3.26Å; E392-R429 IonicContact OE2-NE 3.62Å; E392-R429 PolarHBondContact OE2-NE 3.05Å; E392-R429 IonicContact OE2-NH2 3.86Å; E392-R429 PolarHBondContact OE2-NH2 3.1Å
393C90.1Very high87.3Confident15 Ų1564.6 Ų64.610%0.10132%0.322CS..  trans-82.7135-172.7-51.70000113.9F395 S398 C419C393-F395 PolarHBondContact O-N 3.03Å; C393-S398 WeakPolarHBondContact CB-OG 3.34Å; C393-C419 WeakPolarHBondContact CA-SG 3.46Å; C393-C419 HydrophobicContact CB-CB 3.8Å; C393-C419 WeakPolarHBondContact CB-SG 3.29Å; C393-C419 WeakPolarHBondContact SG-CB 3.49Å; C393-C419 CovalentContact SG-SG 2.03Å; C393-C419 PolarHBondContact SG-SG 3.08Å
394D86.6Confident87.4Confident36 Ų3661.9 Ų61.919%0.19330%0.303CS..  trans-74.5114.9172.7-172.6-40.2000110.1R396 G397 S398 R429D394-R396 PolarHBondContact O-N 3Å; D394-R396 WeakPolarHBondContact OD1-CB 3.38Å; D394-R396 VanDerWaalsContact OD1-CG 3.24Å; D394-R396 WeakPolarHBondContact OD1-CG 2.98Å; D394-R396 IonicContact OD1-CZ 2.97Å; D394-R396 PolarHBondContact OD1-N 2.76Å; D394-R396 IonicContact OD1-NE 3.77Å; D394-R396 PolarHBondContact OD1-NE 3.49Å; D394-R396 VanDerWaalsContact OD1-NE 3.09Å; D394-R396 IonicContact OD2-CZ 3.67Å; D394-R396 IonicContact OD2-NE 2.89Å; D394-R396 PolarHBondContact OD2-NE 3.03Å; D394-R396 VanDerWaalsContact OD2-NE 3.17Å; D394-R396 IonicContact OD2-NH2 3.59Å; D394-R396 PolarHBondContact OD2-NH2 3.31Å; D394-G397 PolarHBondContact O-N 3.49Å; D394-G397 VanDerWaalsContact O-N 3.12Å; D394-S398 VanDerWaalsContact O-CB 3.27Å; D394-S398 WeakPolarHBondContact O-CB 3.48Å; D394-S398 PolarHBondContact O-N 3.37Å; D394-S398 PolarHBondContact O-OG 3.22Å; D394-R429 VanDerWaalsContact CB-O 3.26Å; D394-R429 WeakPolarHBondContact CB-O 3.37Å; D394-R429 PolarHBondContact N-O 2.85Å
395F84.8Confident87.4Confident138 Ų13860.1 Ų60.161%0.60529%0.293SS*.THydrogen-bonded Turntrans-56.1-23.3-178.9-59.1-66.9000114.5C393 Q401C393-F395 PolarHBondContact O-N 3.03Å; F395-Q401 WeakPolarHBondContact CD1-O 3.48Å; F395-Q401 VanDerWaalsContact CE1-O 3.26Å; F395-Q401 WeakPolarHBondContact CE1-O 3.39Å
396R86.6Confident87.2Confident102 Ų10259.9 Ų59.939%0.38529%0.293SS..THydrogen-bonded Turntrans-77.1-35.7-179.5-51.8175.7-69.1156.10.2111.7D394 K422 Q442D394-R396 PolarHBondContact O-N 3Å; D394-R396 WeakPolarHBondContact OD1-CB 3.38Å; D394-R396 VanDerWaalsContact OD1-CG 3.24Å; D394-R396 WeakPolarHBondContact OD1-CG 2.98Å; D394-R396 IonicContact OD1-CZ 2.97Å; D394-R396 PolarHBondContact OD1-N 2.76Å; D394-R396 IonicContact OD1-NE 3.77Å; D394-R396 PolarHBondContact OD1-NE 3.49Å; D394-R396 VanDerWaalsContact OD1-NE 3.09Å; D394-R396 IonicContact OD2-CZ 3.67Å; D394-R396 IonicContact OD2-NE 2.89Å; D394-R396 PolarHBondContact OD2-NE 3.03Å; D394-R396 VanDerWaalsContact OD2-NE 3.17Å; D394-R396 IonicContact OD2-NH2 3.59Å; D394-R396 PolarHBondContact OD2-NH2 3.31Å; R396-K422 WeakPolarHBondContact O-CD 3.46Å; R396-K422 WeakPolarHBondContact O-CE 3.19Å; R396-K422 PolarHBondContact O-NZ 3Å; R396-Q442 HydrophobicContact CB-CB 4.02Å; R396-Q442 HydrophobicContact CG-CB 3.97Å; R396-Q442 HydrophobicContact CG-CG 4.41Å
397G87.4Confident87Confident0 Ų055.8 Ų55.80%028%0.28CS..THydrogen-bonded Turntrans-106.3-7.9-176.500000114.9D394 C421 K422 C430D394-G397 PolarHBondContact O-N 3.49Å; D394-G397 VanDerWaalsContact O-N 3.12Å; G397-C421 CarbonylContact O-C 3.48Å; G397-C421 WeakPolarHBondContact O-CA 3.14Å; G397-K422 WeakPolarHBondContact O-CB 3.38Å; G397-K422 WeakPolarHBondContact O-CG 3.03Å; G397-K422 PolarHBondContact O-N 3.02Å; G397-C430 WeakPolarHBondContact CA-O 3.42Å; G397-C430 WeakPolarHBondContact O-CB 3.49Å
398S88.4Confident86.6Confident6 Ų658.8 Ų58.84%0.04230%0.298CS..BIsolated β-bridgetrans-96.8150.5-179.7-54.40000113.1C393 D394 H420 C430C393-S398 WeakPolarHBondContact CB-OG 3.34Å; D394-S398 VanDerWaalsContact O-CB 3.27Å; D394-S398 WeakPolarHBondContact O-CB 3.48Å; D394-S398 PolarHBondContact O-N 3.37Å; D394-S398 PolarHBondContact O-OG 3.22Å; S398-H420 CarbonylContact C-O 3.56Å; S398-H420 WeakPolarHBondContact CA-O 3.43Å; S398-C430 WeakPolarHBondContact OG-CB 3.36Å
399L83.8Confident85.9Confident80 Ų8060.1 Ų60.142%0.41930%0.304SS..SBendtrans-78.9173.2166.5-59.9173.7000110.2Q401 G402 H420 K422L399-Q401 PolarHBondContact O-N 2.82Å; L399-G402 PolarHBondContact O-N 3.47Å; L399-H420 HydrophobicContact CB-CB 4.19Å; L399-H420 HydrophobicContact CD1-CB 4.31Å; L399-H420 PolarHBondContact N-O 2.04Å; L399-K422 HydrophobicContact CD2-CG 4.03Å
400N77.6Confident85.2Confident109 Ų10962.4 Ų62.458%0.58332%0.323SS*.G310 helixtrans50.131.9171.4-58.8-16.5000115.4G402 I403N400-G402 PolarHBondContact O-N 2.96Å; N400-G402 VanDerWaalsContact O-N 3.15Å; N400-I403 HydrophobicContact CB-CB 4.42Å; N400-I403 WeakPolarHBondContact O-CG1 3.15Å; N400-I403 PolarHBondContact O-N 2.8Å
401Q76Confident84.4Confident147 Ų14767.6 Ų67.669%0.68734%0.34SS*.G310 helixtrans53.631.3-178-55.1-177.47.700113.9F395 L399F395-Q401 WeakPolarHBondContact CD1-O 3.48Å; F395-Q401 VanDerWaalsContact CE1-O 3.26Å; F395-Q401 WeakPolarHBondContact CE1-O 3.39Å; L399-Q401 PolarHBondContact O-N 2.82Å
402G81Confident83.7Confident5 Ų574.6 Ų74.65%0.05236%0.363CS..G310 helixtrans83.615.7175.100000115.6L399 N400 C404L399-G402 PolarHBondContact O-N 3.47Å; N400-G402 PolarHBondContact O-N 2.96Å; N400-G402 VanDerWaalsContact O-N 3.15Å; G402-C404 PolarHBondContact O-N 2.99Å
403I87.5Confident83Confident60 Ų6074.9 Ų74.931%0.30837%0.368SS..  trans-65.4128.6164-60.8170.5000108.6Y373 N400Y373-I403 HydrophobicContact CD1-CG1 3.77Å; Y373-I403 HydrophobicContact CE1-CD1 4.22Å; Y373-I403 HydrophobicContact CE1-CG1 3.41Å; Y373-I403 VanDerWaalsContact CE1-CG1 3.41Å; Y373-I403 HydrophobicContact CE2-CG1 4.37Å; Y373-I403 HydrophobicContact CG-CG1 4.4Å; N400-I403 HydrophobicContact CB-CB 4.42Å; N400-I403 WeakPolarHBondContact O-CG1 3.15Å; N400-I403 PolarHBondContact O-N 2.8Å
404C89.7Confident82.7Confident6 Ų676.3 Ų76.34%0.04138%0.375CS..BIsolated β-bridgetrans-105.4165.1176.266.90000111.8C391 G402 S406 K418C391-C404 HydrophobicContact CB-CB 3.74Å; C391-C404 WeakPolarHBondContact CB-SG 3.5Å; C391-C404 WeakPolarHBondContact SG-CB 3.34Å; C391-C404 PolarHBondContact SG-N 2.95Å; C391-C404 CovalentContact SG-SG 2.03Å; C391-C404 PolarHBondContact SG-SG 2.94Å; G402-C404 PolarHBondContact O-N 2.99Å; C404-S406 PolarHBondContact O-N 2.86Å; C404-K418 WeakPolarHBondContact CA-O 3.17Å; C404-K418 VanDerWaalsContact CB-O 3.3Å; C404-K418 WeakPolarHBondContact CB-O 3.08Å
405D88.9Confident82.6Confident8 Ų878.6 Ų78.64%0.04339%0.386CS..  trans-55.9121.9173.8-74.2-20.2000110.8Y375 E407 L414 I415 G417 K418 H420Y375-D405 VanDerWaalsContact CB-O 3.27Å; Y375-D405 WeakPolarHBondContact CB-O 3.37Å; D405-E407 PolarHBondContact O-N 3.03Å; D405-L414 HydrophobicContact CB-CB 4.37Å; D405-L414 VanDerWaalsContact OD1-CD2 3.28Å; D405-L414 WeakPolarHBondContact OD1-CD2 3.33Å; D405-L414 WeakPolarHBondContact OD2-CA 3.48Å; D405-I415 VanDerWaalsContact CB-O 3.25Å; D405-I415 WeakPolarHBondContact CB-O 3.49Å; D405-I415 PolarHBondContact OD2-N 3.06Å; D405-G417 PolarHBondContact O-N 3.06Å; D405-K418 HydrophobicContact CB-CB 4.38Å; D405-K418 PolarHBondContact N-O 2.72Å; D405-K418 VanDerWaalsContact N-O 3.11Å; D405-H420 IonicContact OD1-CE1 2.66Å; D405-H420 PolarHBondContact OD1-CE1 3.12Å; D405-H420 IonicContact OD1-NE2 3.19Å; D405-H420 PolarHBondContact OD1-NE2 3.46Å
406S85.7Confident82.7Confident55 Ų5573 Ų7339%0.38536%0.364SS..SBendtrans-75.6-22.4-172.253.30000114.5Y375 R376 C404Y375-S406 CarbonylContact C-O 3.45Å; Y375-S406 WeakPolarHBondContact CA-O 3.22Å; R376-S406 PolarHBondContact N-O 2.74Å; C404-S406 PolarHBondContact O-N 2.86Å
407E85Confident82.7Confident76 Ų7669 Ų6936%0.35536%0.355SS..SBendtrans-150.3166.5179.166-175.5167.900111.2D405 L414 S416D405-E407 PolarHBondContact O-N 3.03Å; E407-L414 WeakPolarHBondContact O-CB 3.4Å; E407-S416 WeakPolarHBondContact CA-OG 3.45Å; E407-S416 PolarHBondContact O-N 3.27Å
408T83.9Confident82.8Confident65 Ų6573 Ų7340%0.39937%0.372SS..  trans-92.6105.7172.9-59.60000110L410 L414 S416T408-L410 HydrophobicContact CG2-CD2 4.37Å; T408-L410 HydrophobicContact CG2-CG 4.47Å; T408-L414 WeakPolarHBondContact CA-O 3.28Å; T408-S416 PolarHBondContact N-OG 3.1Å; T408-S416 VanDerWaalsContact OG1-CB 3.31Å; T408-S416 WeakPolarHBondContact OG1-CB 3.33Å; T408-S416 PolarHBondContact OG1-N 3.32Å; T408-S416 PolarHBondContact OG1-OG 3.32Å
409D79.1Confident82.8Confident37 Ų3773.3 Ų73.320%0.19838%0.375CS..BIsolated β-bridgetrans-123.8104.6170.4178.9-18.3000108.1E411 R412 N413 L414D409-E411 VanDerWaalsContact C-N 3.3Å; D409-E411 PolarHBondContact O-N 3.44Å; D409-E411 WeakPolarHBondContact OD1-CB 3.4Å; D409-E411 PolarHBondContact OD1-N 2.04Å; D409-R412 HydrophobicContact CB-CB 4.18Å; D409-R412 CarbonylContact O-C 3.25Å; D409-R412 PolarHBondContact O-N 3.39Å; D409-R412 PolarHBondContact OD1-N 3.41Å; D409-R412 WeakPolarHBondContact OD2-CD 3.47Å; D409-R412 WeakPolarHBondContact OD2-CG 3.21Å; D409-R412 IonicContact OD2-CZ 3.19Å; D409-R412 IonicContact OD2-NE 3.08Å; D409-R412 PolarHBondContact OD2-NE 2.85Å; D409-R412 IonicContact OD2-NH1 2.69Å; D409-N413 PolarHBondContact O-N 3.37Å; D409-N413 VanDerWaalsContact O-N 3.07Å; D409-L414 CarbonylContact C-O 3.6Å; D409-L414 HydrophobicContact CB-CB 4.28Å; D409-L414 HydrophobicContact CB-CD1 4.38Å; D409-L414 PolarHBondContact N-O 3.03Å; D409-L414 PolarHBondContact O-N 3.31Å
410L77.7Confident83.1Confident140 Ų14072.5 Ų72.573%0.73337%0.369SS*.THydrogen-bonded Turntrans-69.4-25.1-177.3-65.3174.4000112.9T408T408-L410 HydrophobicContact CG2-CD2 4.37Å; T408-L410 HydrophobicContact CG2-CG 4.47Å
411E73.1Confident83.7Confident188 Ų18869.3 Ų69.388%0.87935%0.354SS*.THydrogen-bonded Turntrans-75.3-35176.2-61.2-165.7158.900110.8D409D409-E411 VanDerWaalsContact C-N 3.3Å; D409-E411 PolarHBondContact O-N 3.44Å; D409-E411 WeakPolarHBondContact OD1-CB 3.4Å; D409-E411 PolarHBondContact OD1-N 2.04Å
412R74.3Confident84.3Confident173 Ų17363.1 Ų63.165%0.65333%0.325SS*.THydrogen-bonded Turntrans-87.71.5175.4-64.1-177.3-175.7160.3-1.1114.6D409 L414D409-R412 HydrophobicContact CB-CB 4.18Å; D409-R412 CarbonylContact O-C 3.25Å; D409-R412 PolarHBondContact O-N 3.39Å; D409-R412 PolarHBondContact OD1-N 3.41Å; D409-R412 WeakPolarHBondContact OD2-CD 3.47Å; D409-R412 WeakPolarHBondContact OD2-CG 3.21Å; D409-R412 IonicContact OD2-CZ 3.19Å; D409-R412 IonicContact OD2-NE 3.08Å; D409-R412 PolarHBondContact OD2-NE 2.85Å; D409-R412 IonicContact OD2-NH1 2.69Å; R412-L414 HydrophobicContact CB-CD1 3.95Å; R412-L414 HydrophobicContact CB-CG 3.86Å; R412-L414 PolarHBondContact O-N 3.08Å
413N76.2Confident84.7Confident126 Ų12666.8 Ų66.867%0.67435%0.346SS*.THydrogen-bonded Turntrans60.322.8-174.3-92.5-52.8000114.9D409 K418D409-N413 PolarHBondContact O-N 3.37Å; D409-N413 VanDerWaalsContact O-N 3.07Å; N413-K418 PolarHBondContact O-NZ 3.5Å
414L82.8Confident84.7Confident46 Ų4665 Ų6524%0.24134%0.338CS..BIsolated β-bridgetrans-88.8136.1176.5-55.4175.7000109.9D405 E407 T408 D409 R412D405-L414 HydrophobicContact CB-CB 4.37Å; D405-L414 VanDerWaalsContact OD1-CD2 3.28Å; D405-L414 WeakPolarHBondContact OD1-CD2 3.33Å; D405-L414 WeakPolarHBondContact OD2-CA 3.48Å; E407-L414 WeakPolarHBondContact O-CB 3.4Å; T408-L414 WeakPolarHBondContact CA-O 3.28Å; D409-L414 CarbonylContact C-O 3.6Å; D409-L414 HydrophobicContact CB-CB 4.28Å; D409-L414 HydrophobicContact CB-CD1 4.38Å; D409-L414 PolarHBondContact N-O 3.03Å; D409-L414 PolarHBondContact O-N 3.31Å; R412-L414 HydrophobicContact CB-CD1 3.95Å; R412-L414 HydrophobicContact CB-CG 3.86Å; R412-L414 PolarHBondContact O-N 3.08Å
415I85.5Confident84.7Confident83 Ų8364.8 Ų64.843%0.42634%0.336SS..  trans-133.6116.6177.9-57.3178.4000109D405 G417 K418D405-I415 VanDerWaalsContact CB-O 3.25Å; D405-I415 WeakPolarHBondContact CB-O 3.49Å; D405-I415 PolarHBondContact OD2-N 3.06Å; I415-G417 PolarHBondContact O-N 3.32Å; I415-K418 HydrophobicContact CB-CB 4.1Å; I415-K418 HydrophobicContact CB-CD 3.9Å; I415-K418 HydrophobicContact CD1-CD 4.16Å; I415-K418 HydrophobicContact CG1-CD 4.17Å; I415-K418 WeakPolarHBondContact O-CB 3.45Å; I415-K418 PolarHBondContact O-N 2.98Å
416S86.5Confident84.7Confident20 Ų2068.8 Ų68.814%0.1436%0.356CS..THydrogen-bonded Turntrans-37112.6-180-81.80000113.3R376 E407 T408R376-S416 VanDerWaalsContact O-CB 3.28Å; R376-S416 WeakPolarHBondContact O-CB 3.35Å; R376-S416 PolarHBondContact O-OG 2.72Å; E407-S416 WeakPolarHBondContact CA-OG 3.45Å; E407-S416 PolarHBondContact O-N 3.27Å; T408-S416 PolarHBondContact N-OG 3.1Å; T408-S416 VanDerWaalsContact OG1-CB 3.31Å; T408-S416 WeakPolarHBondContact OG1-CB 3.33Å; T408-S416 PolarHBondContact OG1-N 3.32Å; T408-S416 PolarHBondContact OG1-OG 3.32Å
417G86.9Confident84.6Confident20 Ų2067.4 Ų67.421%0.20635%0.351CS..THydrogen-bonded Turntrans90.6-5.5175.500000116.2Y375 D405 I415 C419Y375-G417 VanDerWaalsContact CD1-CA 3.47Å; Y375-G417 VanDerWaalsContact CG-CA 3.47Å; D405-G417 PolarHBondContact O-N 3.06Å; I415-G417 PolarHBondContact O-N 3.32Å; G417-C419 PolarHBondContact O-N 3.47Å
418K88.5Confident84.4Confident82 Ų8272.6 Ų72.636%0.35738%0.375SS..  trans-65.9129.2-179.6174.8177.5159.5-157.50112.2C404 D405 N413 I415C404-K418 WeakPolarHBondContact CA-O 3.17Å; C404-K418 VanDerWaalsContact CB-O 3.3Å; C404-K418 WeakPolarHBondContact CB-O 3.08Å; D405-K418 HydrophobicContact CB-CB 4.38Å; D405-K418 PolarHBondContact N-O 2.72Å; D405-K418 VanDerWaalsContact N-O 3.11Å; N413-K418 PolarHBondContact O-NZ 3.5Å; I415-K418 HydrophobicContact CB-CB 4.1Å; I415-K418 HydrophobicContact CB-CD 3.9Å; I415-K418 HydrophobicContact CD1-CD 4.16Å; I415-K418 HydrophobicContact CG1-CD 4.17Å; I415-K418 WeakPolarHBondContact O-CB 3.45Å; I415-K418 PolarHBondContact O-N 2.98Å
419C89.8Confident84.6Confident14 Ų1475.7 Ų75.710%0.09538%0.38CS..BIsolated β-bridgetrans-87.9143.6176.5-57.30000111.8C393 G417 E428C393-C419 WeakPolarHBondContact CA-SG 3.46Å; C393-C419 HydrophobicContact CB-CB 3.8Å; C393-C419 WeakPolarHBondContact CB-SG 3.29Å; C393-C419 WeakPolarHBondContact SG-CB 3.49Å; C393-C419 CovalentContact SG-SG 2.03Å; C393-C419 PolarHBondContact SG-SG 3.08Å; G417-C419 PolarHBondContact O-N 3.47Å; C419-E428 WeakPolarHBondContact CB-O 3.28Å; C419-E428 PolarHBondContact SG-O 3.32Å
420H89.5Confident85.2Confident63 Ų6373.9 Ų73.929%0.29237%0.37SS..  trans-92.3106.8174.8-51.5-66.8000110.5S398 L399 D405S398-H420 CarbonylContact C-O 3.56Å; S398-H420 WeakPolarHBondContact CA-O 3.43Å; L399-H420 HydrophobicContact CB-CB 4.19Å; L399-H420 HydrophobicContact CD1-CB 4.31Å; L399-H420 PolarHBondContact N-O 2.04Å; D405-H420 IonicContact OD1-CE1 2.66Å; D405-H420 PolarHBondContact OD1-CE1 3.12Å; D405-H420 IonicContact OD1-NE2 3.19Å; D405-H420 PolarHBondContact OD1-NE2 3.46Å
421C89.9Confident85.7Confident42 Ų4270 Ų7028%0.28435%0.35SS..BIsolated β-bridgetrans-82148.1-177-50.20000113.6G397 V425 G427 C430G397-C421 CarbonylContact O-C 3.48Å; G397-C421 WeakPolarHBondContact O-CA 3.14Å; C421-V425 HydrophobicContact CB-CB 4.29Å; C421-G427 PolarHBondContact SG-O 3.15Å; C421-C430 WeakPolarHBondContact CA-SG 3.13Å; C421-C430 HydrophobicContact CB-CB 3.66Å; C421-C430 WeakPolarHBondContact CB-SG 3.47Å; C421-C430 PolarHBondContact N-SG 2.91Å; C421-C430 VanDerWaalsContact N-SG 3.38Å; C421-C430 WeakPolarHBondContact SG-CA 3.46Å; C421-C430 WeakPolarHBondContact SG-CB 3.21Å; C421-C430 CovalentContact SG-SG 2.04Å; C421-C430 PolarHBondContact SG-SG 2.88Å
422K88.9Confident86.3Confident17 Ų1766.4 Ų66.47%0.07433%0.333CS..  trans-59.3158.2168-71.1177.5174.6179.40111.5R396 G397 L399 N424 V425 D441 Q442 N444 P445R396-K422 WeakPolarHBondContact O-CD 3.46Å; R396-K422 WeakPolarHBondContact O-CE 3.19Å; R396-K422 PolarHBondContact O-NZ 3Å; G397-K422 WeakPolarHBondContact O-CB 3.38Å; G397-K422 WeakPolarHBondContact O-CG 3.03Å; G397-K422 PolarHBondContact O-N 3.02Å; L399-K422 HydrophobicContact CD2-CG 4.03Å; K422-N424 VanDerWaalsContact C-N 3.32Å; K422-N424 PolarHBondContact O-N 2.77Å; K422-V425 HydrophobicContact CB-CB 4.43Å; K422-V425 HydrophobicContact CB-CG2 3.86Å; K422-V425 PolarHBondContact O-N 3.01Å; K422-D441 PolarHBondContact NZ-O 2.92Å; K422-Q442 PolarHBondContact NZ-O 3.37Å; K422-N444 WeakPolarHBondContact CE-O 3.32Å; K422-N444 PolarHBondContact NZ-O 3.16Å; K422-P445 WeakPolarHBondContact CD-O 3.12Å; K422-P445 WeakPolarHBondContact CG-O 3.38Å
423T88.2Confident86.9Confident81 Ų8158.6 Ų58.650%0.49731%0.305SS..THydrogen-bonded Turntrans-46.3-45.3-167.2-410000115.1K434 D446T423-K434 WeakPolarHBondContact O-CE 3.43Å; T423-K434 PolarHBondContact O-NZ 3.28Å; T423-D446 WeakPolarHBondContact CB-OD1 3.25Å; T423-D446 PolarHBondContact OG1-OD1 3.31Å
424N89.3Confident87.3Confident23 Ų2356.4 Ų56.412%0.12329%0.29CS..THydrogen-bonded Turntrans-104.814.6-173.4-56.5-24000113.3K422 K434 F437 D446 C448K422-N424 VanDerWaalsContact C-N 3.32Å; K422-N424 PolarHBondContact O-N 2.77Å; N424-K434 PolarHBondContact O-N 3.36Å; N424-F437 HydrophobicContact CB-CB 4.41Å; N424-F437 HydrophobicContact CB-CD1 3.63Å; N424-F437 HydrophobicContact CB-CD2 4.35Å; N424-F437 HydrophobicContact CB-CE1 3.92Å; N424-F437 HydrophobicContact CB-CG 3.88Å; N424-F437 HydrophobicContact CB-CZ 4.39Å; N424-F437 VanDerWaalsContact CG-CD1 3.45Å; N424-F437 WeakPolarHBondContact ND2-CD1 3.35Å; N424-F437 WeakPolarHBondContact ND2-CE1 3.32Å; N424-F437 WeakPolarHBondContact OD1-CE1 3.39Å; N424-F437 WeakPolarHBondContact OD1-CZ 3.32Å; N424-D446 WeakPolarHBondContact CA-O 2.86Å; N424-D446 VanDerWaalsContact CB-O 3.31Å; N424-D446 WeakPolarHBondContact CB-O 3.16Å; N424-D446 PolarHBondContact N-O 2.75Å; N424-D446 WeakPolarHBondContact ND2-CB 3.03Å; N424-C448 HydrophobicContact CB-CB 3.86Å; N424-C448 PolarHBondContact ND2-O 3.22Å
425V89.6Confident86.9Confident2 Ų258.7 Ų58.71%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-111.1148.9-175.1-169.80000111.4C421 K422 C430 H432 K434 L440C421-V425 HydrophobicContact CB-CB 4.29Å; K422-V425 HydrophobicContact CB-CB 4.43Å; K422-V425 HydrophobicContact CB-CG2 3.86Å; K422-V425 PolarHBondContact O-N 3.01Å; V425-C430 HydrophobicContact CG1-CB 4.06Å; V425-C430 VanDerWaalsContact CG1-O 3.32Å; V425-C430 WeakPolarHBondContact CG1-O 3.39Å; V425-H432 CarbonylContact C-O 3.48Å; V425-H432 WeakPolarHBondContact CA-O 3.2Å; V425-H432 VanDerWaalsContact CG1-O 3.31Å; V425-H432 WeakPolarHBondContact CG1-O 3.23Å; V425-K434 WeakPolarHBondContact O-CE 3.19Å; V425-L440 HydrophobicContact CB-CD1 4.47Å; V425-L440 HydrophobicContact CG1-CD1 4.04Å; V425-L440 HydrophobicContact CG2-CD1 3.53Å
426I88.5Confident86.5Confident91 Ų9155 Ų5547%0.46729%0.285SS..EExtended strand (participates in β ladder)trans-143.9170.1-179.6-162.8164.4000110.2D431 H432 K434I426-D431 PolarHBondContact O-N 2.95Å; I426-H432 HydrophobicContact CG2-CB 4.18Å; I426-H432 PolarHBondContact N-O 3.32Å; I426-H432 PolarHBondContact O-N 2.99Å; I426-K434 HydrophobicContact CB-CG 3.95Å; I426-K434 HydrophobicContact CG2-CG 4.26Å
427G82.6Confident86.5Confident27 Ų2756 Ų5628%0.27829%0.287SS..SBendtrans104.6147.3-171.700000110.5C421 R429 C430C421-G427 PolarHBondContact SG-O 3.15Å; G427-R429 PolarHBondContact O-N 3.31Å; G427-C430 PolarHBondContact O-N 3.05Å
428E82.7Confident86.5Confident184 Ų18459.3 Ų59.386%0.8629%0.293SS*.THydrogen-bonded Turntrans-64.6-26-176.6-61.7-159.1143.800112.9C419C419-E428 WeakPolarHBondContact CB-O 3.28Å; C419-E428 PolarHBondContact SG-O 3.32Å
429R87.5Confident86.4Confident130 Ų13058 Ų5849%0.49130%0.295SS..THydrogen-bonded Turntrans-96.43172.6-58.7-172.7176.4168.2-1.7113.4E392 D394 G427E392-R429 WeakPolarHBondContact O-CD 3.29Å; E392-R429 VanDerWaalsContact O-CG 3.26Å; E392-R429 WeakPolarHBondContact O-CG 3.18Å; E392-R429 IonicContact OE1-NH2 2.66Å; E392-R429 IonicContact OE2-CZ 2.98Å; E392-R429 VanDerWaalsContact OE2-CZ 3.26Å; E392-R429 IonicContact OE2-NE 3.62Å; E392-R429 PolarHBondContact OE2-NE 3.05Å; E392-R429 IonicContact OE2-NH2 3.86Å; E392-R429 PolarHBondContact OE2-NH2 3.1Å; D394-R429 VanDerWaalsContact CB-O 3.26Å; D394-R429 WeakPolarHBondContact CB-O 3.37Å; D394-R429 PolarHBondContact N-O 2.85Å; G427-R429 PolarHBondContact O-N 3.31Å
430C90.3Very high86.3Confident0 Ų059.2 Ų59.20%030%0.3CS..SBendtrans59.152-175.8-48.90000114.2G397 S398 C421 V425 G427G397-C430 WeakPolarHBondContact CA-O 3.42Å; G397-C430 WeakPolarHBondContact O-CB 3.49Å; S398-C430 WeakPolarHBondContact OG-CB 3.36Å; C421-C430 WeakPolarHBondContact CA-SG 3.13Å; C421-C430 HydrophobicContact CB-CB 3.66Å; C421-C430 WeakPolarHBondContact CB-SG 3.47Å; C421-C430 PolarHBondContact N-SG 2.91Å; C421-C430 VanDerWaalsContact N-SG 3.38Å; C421-C430 WeakPolarHBondContact SG-CA 3.46Å; C421-C430 WeakPolarHBondContact SG-CB 3.21Å; C421-C430 CovalentContact SG-SG 2.04Å; C421-C430 PolarHBondContact SG-SG 2.88Å; V425-C430 HydrophobicContact CG1-CB 4.06Å; V425-C430 VanDerWaalsContact CG1-O 3.32Å; V425-C430 WeakPolarHBondContact CG1-O 3.39Å; G427-C430 PolarHBondContact O-N 3.05Å
431D88.9Confident86Confident58 Ų5859.8 Ų59.831%0.3131%0.305SS..  trans-114.40.5-169.360.6-35.3000115.1I426 L440I426-D431 PolarHBondContact O-N 2.95Å; D431-L440 WeakPolarHBondContact O-CD2 3.42Å
432H86.9Confident85.7Confident112 Ų11263.2 Ų63.252%0.51932%0.317SS..EExtended strand (participates in β ladder)trans-133.6152.4-176.4-62.3-16.4000113.7V425 I426V425-H432 CarbonylContact C-O 3.48Å; V425-H432 WeakPolarHBondContact CA-O 3.2Å; V425-H432 VanDerWaalsContact CG1-O 3.31Å; V425-H432 WeakPolarHBondContact CG1-O 3.23Å; I426-H432 HydrophobicContact CG2-CB 4.18Å; I426-H432 PolarHBondContact N-O 3.32Å; I426-H432 PolarHBondContact O-N 2.99Å
433C86.3Confident85.4Confident10 Ų1069.3 Ų69.37%0.06835%0.35CS..EExtended strand (participates in β ladder)trans-76.8143.6171-61.50000112.6F437 C448 K466C433-F437 HydrophobicContact CB-CB 4.3Å; C433-F437 WeakPolarHBondContact CB-O 3.5Å; C433-C448 WeakPolarHBondContact CA-SG 3.42Å; C433-C448 HydrophobicContact CB-CB 3.77Å; C433-C448 WeakPolarHBondContact CB-SG 3.47Å; C433-C448 WeakPolarHBondContact SG-CB 2.87Å; C433-C448 CovalentContact SG-SG 2.04Å; C433-C448 PolarHBondContact SG-SG 3.26Å; C433-K466 PolarHBondContact O-NZ 2.67Å
434K83.8Confident85Confident80 Ų8067 Ų6735%0.34833%0.334SS..PPolyproline II helixtrans-60.9155.2168.1-71.8179.7-175.7173.40110.8T423 N424 V425 I426 F437T423-K434 WeakPolarHBondContact O-CE 3.43Å; T423-K434 PolarHBondContact O-NZ 3.28Å; N424-K434 PolarHBondContact O-N 3.36Å; V425-K434 WeakPolarHBondContact O-CE 3.19Å; I426-K434 HydrophobicContact CB-CG 3.95Å; I426-K434 HydrophobicContact CG2-CG 4.26Å; K434-F437 HydrophobicContact CB-CD2 3.85Å; K434-F437 HydrophobicContact CB-CE2 4.4Å; K434-F437 PolarHBondContact O-N 2.85Å
435N75.1Confident84.7Confident93 Ų9370.5 Ų70.550%0.49736%0.359SS..THydrogen-bonded Turntrans-60.6143.6172.7-64.78.2000109.4F437 K466N435-F437 VanDerWaalsContact C-N 3.29Å; N435-F437 WeakPolarHBondContact O-CD2 3.42Å; N435-K466 WeakPolarHBondContact OD1-CE 2.99Å; N435-K466 PolarHBondContact OD1-NZ 3.2Å
436G77Confident84.5Confident7 Ų773.6 Ų73.67%0.07238%0.375CS..THydrogen-bonded Turntrans77.17.6-168.100000115.3C451 E462G436-C451 VanDerWaalsContact CA-SG 3.51Å; G436-C451 PolarHBondContact O-N 2.99Å; G436-C451 PolarHBondContact O-SG 2.96Å; G436-E462 PolarHBondContact N-O 3.32Å; G436-E462 VanDerWaalsContact N-O 3.08Å
437F86.6Confident84.5Confident39 Ų3969.2 Ų69.217%0.17135%0.353CS..EExtended strand (participates in β ladder)trans-136.4154174.4-58.1-96.7000112.8N424 C433 K434 N435 C448 I449 Q450N424-F437 HydrophobicContact CB-CB 4.41Å; N424-F437 HydrophobicContact CB-CD1 3.63Å; N424-F437 HydrophobicContact CB-CD2 4.35Å; N424-F437 HydrophobicContact CB-CE1 3.92Å; N424-F437 HydrophobicContact CB-CG 3.88Å; N424-F437 HydrophobicContact CB-CZ 4.39Å; N424-F437 VanDerWaalsContact CG-CD1 3.45Å; N424-F437 WeakPolarHBondContact ND2-CD1 3.35Å; N424-F437 WeakPolarHBondContact ND2-CE1 3.32Å; N424-F437 WeakPolarHBondContact OD1-CE1 3.39Å; N424-F437 WeakPolarHBondContact OD1-CZ 3.32Å; C433-F437 HydrophobicContact CB-CB 4.3Å; C433-F437 WeakPolarHBondContact CB-O 3.5Å; K434-F437 HydrophobicContact CB-CD2 3.85Å; K434-F437 HydrophobicContact CB-CE2 4.4Å; K434-F437 PolarHBondContact O-N 2.85Å; N435-F437 VanDerWaalsContact C-N 3.29Å; N435-F437 WeakPolarHBondContact O-CD2 3.42Å; F437-C448 HydrophobicContact CB-CB 3.82Å; F437-I449 CarbonylContact C-O 3.54Å; F437-I449 WeakPolarHBondContact CA-O 2.97Å; F437-I449 WeakPolarHBondContact CB-O 3.04Å; F437-Q450 HydrophobicContact CD1-CB 3.93Å; F437-Q450 HydrophobicContact CD1-CG 4.31Å; F437-Q450 HydrophobicContact CE1-CB 3.76Å; F437-Q450 HydrophobicContact CE1-CG 3.88Å; F437-Q450 HydrophobicContact CZ-CG 4.28Å
438W86.8Confident84.8Confident91 Ų9168 Ų6835%0.34534%0.34SS..EExtended strand (participates in β ladder)trans-140.5166.5-179.470.1-68.2000111.6C448 I449 K466W438-C448 WeakPolarHBondContact O-CB 3.41Å; W438-I449 PolarHBondContact N-O 2.98Å; W438-I449 PolarHBondContact O-N 2.89Å; W438-K466 WeakPolarHBondContact CA-O 3.09Å; W438-K466 VanDerWaalsContact CB-O 3.29Å; W438-K466 WeakPolarHBondContact CB-O 3.26Å
439S87.5Confident84.9Confident55 Ų5563.4 Ų63.439%0.38532%0.32SS..  trans59.585.8176.3-171.70000116.5
440L87.2Confident84.7Confident38 Ų3864 Ų6420%0.19933%0.329CS..  trans-76.7122.5175.6179.363.7000112.9V425 D431 G447V425-L440 HydrophobicContact CB-CD1 4.47Å; V425-L440 HydrophobicContact CG1-CD1 4.04Å; V425-L440 HydrophobicContact CG2-CD1 3.53Å; D431-L440 WeakPolarHBondContact O-CD2 3.42Å; L440-G447 CarbonylContact C-O 3.45Å; L440-G447 WeakPolarHBondContact CA-O 2.73Å
441D83.7Confident84Confident76 Ų7664.7 Ų64.741%0.40633%0.334SS..  trans-133.2144.6-176.4-166.2-15.6000112.6K422 D443 N444 G447K422-D441 PolarHBondContact NZ-O 2.92Å; D441-D443 PolarHBondContact OD1-N 2.76Å; D441-N444 HydrophobicContact CB-CB 3.9Å; D441-G447 PolarHBondContact N-O 2.97Å
442Q81.9Confident83.6Confident113 Ų11366.6 Ų66.653%0.52835%0.352SS..SBendtrans-69.8-38.5174.7-174.1166.9-17.900112.1R396 K422 N444R396-Q442 HydrophobicContact CB-CB 4.02Å; R396-Q442 HydrophobicContact CG-CB 3.97Å; R396-Q442 HydrophobicContact CG-CG 4.41Å; K422-Q442 PolarHBondContact NZ-O 3.37Å; Q442-N444 VanDerWaalsContact C-N 3.33Å
443D82.4Confident83.4Confident145 Ų14561.9 Ų61.978%0.77533%0.331SS*.SBendtrans-82-16.2-175.4-68.1-21.1000112.1D441 P445D441-D443 PolarHBondContact OD1-N 2.76Å; D443-P445 WeakPolarHBondContact O-CD 3.23Å
444N80.6Confident83Confident32 Ų3264 Ų6417%0.17134%0.341CS..  trans-75.5118.1171-177.9-4.1000110.1K422 D441 Q442 D446 G447 C448K422-N444 WeakPolarHBondContact CE-O 3.32Å; K422-N444 PolarHBondContact NZ-O 3.16Å; D441-N444 HydrophobicContact CB-CB 3.9Å; Q442-N444 VanDerWaalsContact C-N 3.33Å; N444-D446 PolarHBondContact O-N 3.35Å; N444-D446 PolarHBondContact OD1-N 2.94Å; N444-G447 PolarHBondContact ND2-O 2.96Å; N444-G447 VanDerWaalsContact ND2-O 3.16Å; N444-G447 PolarHBondContact O-N 3.38Å; N444-G447 PolarHBondContact OD1-N 3.1Å; N444-C448 PolarHBondContact ND2-N 3.02Å; N444-C448 PolarHBondContact ND2-O 2.96Å
445P82.5Confident82.7Confident97 Ų9764 Ų6463%0.6335%0.345SS*.THydrogen-bonded Turntrans-62.7-29.1178.926-34.8000113K422 D443K422-P445 WeakPolarHBondContact CD-O 3.12Å; K422-P445 WeakPolarHBondContact CG-O 3.38Å; D443-P445 WeakPolarHBondContact O-CD 3.23Å
446D86.2Confident82.9Confident67 Ų6763 Ų6336%0.35834%0.34SS..THydrogen-bonded Turntrans-90.9-6175.7-62.9-52.5000113.1T423 N424 N444 C448T423-D446 WeakPolarHBondContact CB-OD1 3.25Å; T423-D446 PolarHBondContact OG1-OD1 3.31Å; N424-D446 WeakPolarHBondContact CA-O 2.86Å; N424-D446 VanDerWaalsContact CB-O 3.31Å; N424-D446 WeakPolarHBondContact CB-O 3.16Å; N424-D446 PolarHBondContact N-O 2.75Å; N424-D446 WeakPolarHBondContact ND2-CB 3.03Å; N444-D446 PolarHBondContact O-N 3.35Å; N444-D446 PolarHBondContact OD1-N 2.94Å; D446-C448 VanDerWaalsContact C-N 3.28Å; D446-C448 PolarHBondContact O-N 2.96Å
447G88.1Confident83.1Confident0 Ų062.7 Ų62.70%034%0.336CS..SBendtrans79.7-54.2-17900000114.4L440 D441 N444L440-G447 CarbonylContact C-O 3.45Å; L440-G447 WeakPolarHBondContact CA-O 2.73Å; D441-G447 PolarHBondContact N-O 2.97Å; N444-G447 PolarHBondContact ND2-O 2.96Å; N444-G447 VanDerWaalsContact ND2-O 3.16Å; N444-G447 PolarHBondContact O-N 3.38Å; N444-G447 PolarHBondContact OD1-N 3.1Å
448C88.7Confident82.8Confident2 Ų261 Ų611%0.01433%0.329CS..SBendtrans-122.8162.5-176.9-57.20000114.1N424 C433 F437 W438 N444 D446N424-C448 HydrophobicContact CB-CB 3.86Å; N424-C448 PolarHBondContact ND2-O 3.22Å; C433-C448 WeakPolarHBondContact CA-SG 3.42Å; C433-C448 HydrophobicContact CB-CB 3.77Å; C433-C448 WeakPolarHBondContact CB-SG 3.47Å; C433-C448 WeakPolarHBondContact SG-CB 2.87Å; C433-C448 CovalentContact SG-SG 2.04Å; C433-C448 PolarHBondContact SG-SG 3.26Å; F437-C448 HydrophobicContact CB-CB 3.82Å; W438-C448 WeakPolarHBondContact O-CB 3.41Å; N444-C448 PolarHBondContact ND2-N 3.02Å; N444-C448 PolarHBondContact ND2-O 2.96Å; D446-C448 VanDerWaalsContact C-N 3.28Å; D446-C448 PolarHBondContact O-N 2.96Å
449I84.5Confident82.3Confident86 Ų8659.5 Ų59.544%0.44133%0.33SS..EExtended strand (participates in β ladder)trans-107143.9-175.8-52.9174.2000110.5F437 W438F437-I449 CarbonylContact C-O 3.54Å; F437-I449 WeakPolarHBondContact CA-O 2.97Å; F437-I449 WeakPolarHBondContact CB-O 3.04Å; W438-I449 PolarHBondContact N-O 2.98Å; W438-I449 PolarHBondContact O-N 2.89Å
450Q83.3Confident81.5Confident142 Ų14262.5 Ų62.566%0.66434%0.341SS*.EExtended strand (participates in β ladder)trans-78.9145.5-172.5-163179.8-0.200114.5F437F437-Q450 HydrophobicContact CD1-CB 3.93Å; F437-Q450 HydrophobicContact CD1-CG 4.31Å; F437-Q450 HydrophobicContact CE1-CB 3.76Å; F437-Q450 HydrophobicContact CE1-CG 3.88Å; F437-Q450 HydrophobicContact CZ-CG 4.28Å
451C77Confident80.5Confident16 Ų1663.4 Ų63.411%0.10835%0.346CS..  trans-74.2161.1169.9-56.90000113G436 C464G436-C451 VanDerWaalsContact CA-SG 3.51Å; G436-C451 PolarHBondContact O-N 2.99Å; G436-C451 PolarHBondContact O-SG 2.96Å; C451-C464 HydrophobicContact CB-CB 3.67Å; C451-C464 WeakPolarHBondContact CB-SG 3.04Å; C451-C464 WeakPolarHBondContact SG-CB 3.43Å; C451-C464 PolarHBondContact SG-N 3.3Å; C451-C464 VanDerWaalsContact SG-N 3.39Å; C451-C464 CovalentContact SG-SG 2.02Å; C451-C464 PolarHBondContact SG-SG 2.73Å
452S80.1Confident79.7Confident98 Ų9864.6 Ų64.669%0.68535%0.349SS*.  trans-96.5-3.8176.3-53.10000115.6
453C81.5Confident79.1Confident13 Ų1359.3 Ų59.39%0.08833%0.325CS..SBendtrans-80.8138.6-172.2-43.70000112.7L455 G463 C471C453-L455 PolarHBondContact O-N 2.97Å; C453-G463 WeakPolarHBondContact CB-O 3.1Å; C453-G463 PolarHBondContact SG-O 2.85Å; C453-C471 VanDerWaalsContact CA-SG 3.59Å; C453-C471 HydrophobicContact CB-CB 3.69Å; C453-C471 WeakPolarHBondContact CB-SG 2.96Å; C453-C471 WeakPolarHBondContact SG-CA 3.29Å; C453-C471 WeakPolarHBondContact SG-CB 3.24Å; C453-C471 CovalentContact SG-SG 2.02Å; C453-C471 PolarHBondContact SG-SG 2.65Å
454N78Confident78.9Confident53 Ų5352.9 Ų52.928%0.28329%0.292SS..  trans-74.9113.4173.2-174.8-25.5000110.1L456 G457 T458 N481 C482N454-L456 VanDerWaalsContact C-N 3.28Å; N454-L456 PolarHBondContact O-N 3Å; N454-L456 PolarHBondContact OD1-N 2.88Å; N454-L456 VanDerWaalsContact OD1-N 3.1Å; N454-G457 PolarHBondContact O-N 2.85Å; N454-T458 WeakPolarHBondContact O-CB 2.86Å; N454-T458 PolarHBondContact O-N 3.15Å; N454-T458 PolarHBondContact O-OG1 2.86Å; N454-N481 WeakPolarHBondContact CB-O 3.37Å; N454-N481 PolarHBondContact N-O 2.93Å; N454-C482 WeakPolarHBondContact CB-O 3.13Å
455L77.4Confident78.7Confident82 Ų8255.1 Ų55.143%0.42930%0.303SS..THydrogen-bonded Turntrans-55.4-39-176.2-63.1172.4000113.1C453 G457 T458 N461 G463C453-L455 PolarHBondContact O-N 2.97Å; L455-G457 PolarHBondContact O-N 2.66Å; L455-T458 PolarHBondContact O-N 3.44Å; L455-N461 WeakPolarHBondContact CD2-O 2.89Å; L455-N461 PolarHBondContact O-OD1 2.82Å; L455-N461 VanDerWaalsContact O-OD1 3.11Å; L455-G463 VanDerWaalsContact CD2-CA 3.4Å
456L80.9Confident78.5Confident72 Ų7254.1 Ų54.138%0.37729%0.289SS..THydrogen-bonded Turntrans-67.2-39.6-176.7-63.4175.6000112N454 K474 L492 S493 D494N454-L456 VanDerWaalsContact C-N 3.28Å; N454-L456 PolarHBondContact O-N 3Å; N454-L456 PolarHBondContact OD1-N 2.88Å; N454-L456 VanDerWaalsContact OD1-N 3.1Å; L456-K474 WeakPolarHBondContact O-CD 3.39Å; L456-K474 VanDerWaalsContact O-CE 3.25Å; L456-K474 WeakPolarHBondContact O-CE 3.13Å; L456-K474 PolarHBondContact O-NZ 2.57Å; L456-L492 HydrophobicContact CB-CG 4.17Å; L456-S493 VanDerWaalsContact O-O 3.14Å; L456-D494 HydrophobicContact CD2-CB 4.21Å
457G80.6Confident78Confident0 Ų058.8 Ų58.80%031%0.309CS..THydrogen-bonded Turntrans-82.3-12.7176.100000114.5N454 L455 C473 K474 C482N454-G457 PolarHBondContact O-N 2.85Å; L455-G457 PolarHBondContact O-N 2.66Å; G457-C473 CarbonylContact O-C 3.53Å; G457-C473 VanDerWaalsContact O-CA 3.23Å; G457-C473 WeakPolarHBondContact O-CA 2.95Å; G457-K474 PolarHBondContact O-N 2.86Å; G457-C482 WeakPolarHBondContact CA-O 3.46Å
458T79.4Confident77.6Confident2 Ų263.3 Ų63.31%0.01234%0.336CS..BIsolated β-bridgetrans-88.7139-175.6-58.80000111.4N454 L455 N460 N461 T472 K474N454-T458 WeakPolarHBondContact O-CB 2.86Å; N454-T458 PolarHBondContact O-N 3.15Å; N454-T458 PolarHBondContact O-OG1 2.86Å; L455-T458 PolarHBondContact O-N 3.44Å; T458-N460 PolarHBondContact O-N 2.96Å; T458-N461 PolarHBondContact O-N 2.96Å; T458-T472 CarbonylContact C-O 3.49Å; T458-T472 WeakPolarHBondContact CA-O 2.83Å; T458-T472 WeakPolarHBondContact CG2-O 3.2Å; T458-K474 WeakPolarHBondContact O-CE 3.1Å
459V76.3Confident77Confident61 Ų6164.5 Ų64.537%0.3735%0.349SS..G310 helixtrans-56.8137176.6179.10000110.1N461 T472V459-N461 PolarHBondContact O-N 3.27Å; V459-T472 PolarHBondContact N-O 2.7Å
460N71.6Confident76.7Confident118 Ų11868 Ų6863%0.63136%0.363SS*.G310 helixtrans566.8-176.5-60.1-8.7000116.7T458 E462T458-N460 PolarHBondContact O-N 2.96Å; N460-E462 HydrophobicContact CB-CG 3.77Å; N460-E462 WeakPolarHBondContact CB-OE1 2.76Å; N460-E462 PolarHBondContact ND2-OE1 3.12Å; N460-E462 PolarHBondContact O-N 2.91Å; N460-E462 VanDerWaalsContact O-N 3.15Å
461N66.5Low76.6Confident57 Ų5762.9 Ų62.931%0.30534%0.343SS..G310 helixtrans53.127.2-172.5-48.5-16000113.1L455 T458 V459 G463 K474L455-N461 WeakPolarHBondContact CD2-O 2.89Å; L455-N461 PolarHBondContact O-OD1 2.82Å; L455-N461 VanDerWaalsContact O-OD1 3.11Å; T458-N461 PolarHBondContact O-N 2.96Å; V459-N461 PolarHBondContact O-N 3.27Å; N461-G463 PolarHBondContact O-N 2.89Å; N461-K474 PolarHBondContact OD1-NZ 3.33Å; N461-K474 VanDerWaalsContact OD1-NZ 3.13Å
462E65.6Low76.9Confident100 Ų10066.5 Ų66.547%0.46737%0.365SS..  trans-73.8-16.1-176.5-74.7172.3-147.500113G436 N460 C464G436-E462 PolarHBondContact N-O 3.32Å; G436-E462 VanDerWaalsContact N-O 3.08Å; N460-E462 HydrophobicContact CB-CG 3.77Å; N460-E462 WeakPolarHBondContact CB-OE1 2.76Å; N460-E462 PolarHBondContact ND2-OE1 3.12Å; N460-E462 PolarHBondContact O-N 2.91Å; N460-E462 VanDerWaalsContact O-N 3.15Å; E462-C464 PolarHBondContact O-N 2.82Å; E462-C464 VanDerWaalsContact O-N 3.17Å
463G70.6Confident77.1Confident2 Ų264.5 Ų64.52%0.02135%0.35CS..  trans82-85.1-178.800000110.5C453 L455 N461C453-G463 WeakPolarHBondContact CB-O 3.1Å; C453-G463 PolarHBondContact SG-O 2.85Å; L455-G463 VanDerWaalsContact CD2-CA 3.4Å; N461-G463 PolarHBondContact O-N 2.89Å
464C78Confident77.2Confident10 Ų1065 Ų657%0.06835%0.351CS..SBendtrans-148.9167.9175.176.20000111.6C451 E462 K466 G469 E470C451-C464 HydrophobicContact CB-CB 3.67Å; C451-C464 WeakPolarHBondContact CB-SG 3.04Å; C451-C464 WeakPolarHBondContact SG-CB 3.43Å; C451-C464 PolarHBondContact SG-N 3.3Å; C451-C464 VanDerWaalsContact SG-N 3.39Å; C451-C464 CovalentContact SG-SG 2.02Å; C451-C464 PolarHBondContact SG-SG 2.73Å; E462-C464 PolarHBondContact O-N 2.82Å; E462-C464 VanDerWaalsContact O-N 3.17Å; C464-K466 PolarHBondContact O-N 2.72Å; C464-G469 VanDerWaalsContact CB-C 3.48Å; C464-G469 VanDerWaalsContact SG-CA 3.54Å; C464-E470 VanDerWaalsContact CA-O 3.3Å; C464-E470 WeakPolarHBondContact CA-O 3.35Å; C464-E470 VanDerWaalsContact CB-O 3.32Å; C464-E470 WeakPolarHBondContact CB-O 3.27Å
465D76.4Confident77.4Confident79 Ų7970.9 Ų70.942%0.42237%0.369SS..  trans-57.5127.7172.4-179.5-68.6000111.1H467 T468 G469D465-H467 PolarHBondContact O-N 2.67Å; D465-H467 WeakPolarHBondContact OD1-CA 2.85Å; D465-H467 WeakPolarHBondContact OD1-CB 2.99Å; D465-H467 PolarHBondContact OD1-N 2.87Å; D465-T468 VanDerWaalsContact CB-OG1 3.26Å; D465-T468 WeakPolarHBondContact CB-OG1 2.92Å; D465-T468 PolarHBondContact O-N 2.58Å; D465-T468 PolarHBondContact OD1-N 3.3Å; D465-T468 PolarHBondContact OD1-OG1 2.63Å; D465-G469 PolarHBondContact O-N 2.96Å; D465-G469 VanDerWaalsContact O-N 3.13Å
466K78.1Confident77.9Confident77 Ų7768.3 Ų68.334%0.33536%0.356SS..THydrogen-bonded Turntrans-65.9-8-173.5-60.1-169.6178.9-162.90114.8C433 N435 W438 C464C433-K466 PolarHBondContact O-NZ 2.67Å; N435-K466 WeakPolarHBondContact OD1-CE 2.99Å; N435-K466 PolarHBondContact OD1-NZ 3.2Å; W438-K466 WeakPolarHBondContact CA-O 3.09Å; W438-K466 VanDerWaalsContact CB-O 3.29Å; W438-K466 WeakPolarHBondContact CB-O 3.26Å; C464-K466 PolarHBondContact O-N 2.72Å
467H76.5Confident78.1Confident165 Ų16565.5 Ų65.576%0.76434%0.342SS*.THydrogen-bonded Turntrans-117.3-30.1175.9-61.5-66.5000113.3D465D465-H467 PolarHBondContact O-N 2.67Å; D465-H467 WeakPolarHBondContact OD1-CA 2.85Å; D465-H467 WeakPolarHBondContact OD1-CB 2.99Å; D465-H467 PolarHBondContact OD1-N 2.87Å
468T77.9Confident78.3Confident95 Ų9569.2 Ų69.258%0.58336%0.364SS*.THydrogen-bonded Turntrans-115-32.5-170.173.40000117.1D465D465-T468 VanDerWaalsContact CB-OG1 3.26Å; D465-T468 WeakPolarHBondContact CB-OG1 2.92Å; D465-T468 PolarHBondContact O-N 2.58Å; D465-T468 PolarHBondContact OD1-N 3.3Å; D465-T468 PolarHBondContact OD1-OG1 2.63Å
469G77.5Confident78.3Confident27 Ų2770 Ų7028%0.27837%0.373SS..  trans103.15173.700000120.1C464 D465C464-G469 VanDerWaalsContact CB-C 3.48Å; C464-G469 VanDerWaalsContact SG-CA 3.54Å; D465-G469 PolarHBondContact O-N 2.96Å; D465-G469 VanDerWaalsContact O-N 3.13Å
470E76.8Confident78.4Confident158 Ų15874.7 Ų74.774%0.73840%0.396SS*.  trans-91.8155-169.7-164.6170.7-172.500116.1C464C464-E470 VanDerWaalsContact CA-O 3.3Å; C464-E470 WeakPolarHBondContact CA-O 3.35Å; C464-E470 VanDerWaalsContact CB-O 3.32Å; C464-E470 WeakPolarHBondContact CB-O 3.27Å
471C82.6Confident78.9Confident36 Ų3672.7 Ų72.724%0.24339%0.385CS..  trans-111.2154.7-173.1-43.40000114.8C453C453-C471 VanDerWaalsContact CA-SG 3.59Å; C453-C471 HydrophobicContact CB-CB 3.69Å; C453-C471 WeakPolarHBondContact CB-SG 2.96Å; C453-C471 WeakPolarHBondContact SG-CA 3.29Å; C453-C471 WeakPolarHBondContact SG-CB 3.24Å; C453-C471 CovalentContact SG-SG 2.02Å; C453-C471 PolarHBondContact SG-SG 2.65Å
472T83.1Confident79.7Confident91 Ų9170 Ų7056%0.55837%0.371SS*.  trans-144.2127.2174.941.70000113.9T458 V459T458-T472 CarbonylContact C-O 3.49Å; T458-T472 WeakPolarHBondContact CA-O 2.83Å; T458-T472 WeakPolarHBondContact CG2-O 3.2Å; V459-T472 PolarHBondContact N-O 2.7Å
473C84.1Confident80.7Confident57 Ų5768 Ų6839%0.38536%0.364SS..BIsolated β-bridgetrans-98.3158.4-166.8-47.20000117.8G457 C482G457-C473 CarbonylContact O-C 3.53Å; G457-C473 VanDerWaalsContact O-CA 3.23Å; G457-C473 WeakPolarHBondContact O-CA 2.95Å; C473-C482 WeakPolarHBondContact CA-SG 3.41Å; C473-C482 HydrophobicContact CB-CB 3.73Å; C473-C482 WeakPolarHBondContact CB-SG 3.37Å; C473-C482 VanDerWaalsContact SG-CA 3.52Å; C473-C482 WeakPolarHBondContact SG-CB 3.27Å; C473-C482 CovalentContact SG-SG 2.04Å; C473-C482 PolarHBondContact SG-SG 2.72Å
474K84.1Confident81.3Confident24 Ų2475 Ų7510%0.10439%0.389CS..  trans-81.5168.3175.3-67.2-180-172.1167.40114.8L456 G457 T458 N461 V477 D494 E495L456-K474 WeakPolarHBondContact O-CD 3.39Å; L456-K474 VanDerWaalsContact O-CE 3.25Å; L456-K474 WeakPolarHBondContact O-CE 3.13Å; L456-K474 PolarHBondContact O-NZ 2.57Å; G457-K474 PolarHBondContact O-N 2.86Å; T458-K474 WeakPolarHBondContact O-CE 3.1Å; N461-K474 PolarHBondContact OD1-NZ 3.33Å; N461-K474 VanDerWaalsContact OD1-NZ 3.13Å; K474-V477 HydrophobicContact CB-CB 4.36Å; K474-V477 HydrophobicContact CB-CG2 3.91Å; K474-V477 PolarHBondContact O-N 3.25Å; K474-D494 VanDerWaalsContact NZ-C 3.31Å; K474-D494 PolarHBondContact NZ-O 2.56Å; K474-E495 WeakPolarHBondContact CD-O 3.03Å
475R81.8Confident81.7Confident175 Ų17575.9 Ų75.966%0.6640%0.396SS*.THydrogen-bonded Turntrans-64.7-43.9-164.6-171173.575.2112.1-0.9116.4V477 D497R475-V477 VanDerWaalsContact C-N 3.35Å; R475-D497 IonicContact CZ-OD1 3.91Å; R475-D497 IonicContact CZ-OD2 3.59Å; R475-D497 IonicContact NE-OD1 3.01Å; R475-D497 PolarHBondContact NE-OD1 2.79Å; R475-D497 IonicContact NE-OD2 2.75Å; R475-D497 IonicContact NH2-OD1 3.62Å; R475-D497 PolarHBondContact NH2-OD1 3.15Å; R475-D497 IonicContact NH2-OD2 2.76Å; R475-D497 PolarHBondContact NH2-OD2 2.99Å
476L87Confident81.9Confident28 Ų2876.5 Ų76.515%0.14740%0.398CS..THydrogen-bonded Turntrans-101.121.6179.7-54.6-179.8000111.9L486 D497 C499L476-L486 HydrophobicContact CB-CD1 4.26Å; L476-L486 HydrophobicContact CD2-CD1 4.3Å; L476-D497 WeakPolarHBondContact CA-O 3.31Å; L476-D497 VanDerWaalsContact CB-O 3.28Å; L476-D497 WeakPolarHBondContact CB-O 2.94Å; L476-D497 HydrophobicContact CD1-CB 3.85Å; L476-D497 HydrophobicContact CG-CB 3.94Å; L476-D497 PolarHBondContact N-O 3.33Å; L476-C499 HydrophobicContact CB-CB 4.27Å
477V86Confident82Confident14 Ų1481.6 Ų81.69%0.08542%0.423CS..EExtended strand (participates in β ladder)trans-117.7148.8-177.5-172.50000110.3K474 R475 C482 R484 L492K474-V477 HydrophobicContact CB-CB 4.36Å; K474-V477 HydrophobicContact CB-CG2 3.91Å; K474-V477 PolarHBondContact O-N 3.25Å; R475-V477 VanDerWaalsContact C-N 3.35Å; V477-C482 HydrophobicContact CG1-CB 4.34Å; V477-R484 CarbonylContact C-O 3.51Å; V477-R484 VanDerWaalsContact CA-O 3.28Å; V477-R484 WeakPolarHBondContact CA-O 3.32Å; V477-L492 HydrophobicContact CB-CD1 4.19Å; V477-L492 HydrophobicContact CG1-CD1 3.65Å; V477-L492 HydrophobicContact CG2-CD1 3.43Å; V477-L492 VanDerWaalsContact CG2-CD1 3.43Å
478T84.4Confident82.3Confident77 Ų7780.1 Ų80.147%0.47242%0.417SS..EExtended strand (participates in β ladder)trans-143.7166.8-179.5-168.70000112.4D483 R484T478-D483 PolarHBondContact O-N 2.96Å; T478-R484 HydrophobicContact CG2-CB 3.96Å; T478-R484 PolarHBondContact N-O 2.69Å; T478-R484 PolarHBondContact O-N 2.83Å
479G79.3Confident82.8Confident20 Ų2078.1 Ų78.121%0.20640%0.401CS..THydrogen-bonded Turntrans104.6152.4-179.200000114.1N481 C482G479-N481 VanDerWaalsContact C-N 3.25Å; G479-N481 PolarHBondContact O-N 2.97Å; G479-C482 WeakPolarHBondContact O-CA 2.9Å; G479-C482 PolarHBondContact O-N 2.76Å
480D78.4Confident83.3Confident159 Ų15978.7 Ų78.785%0.8540%0.395SS*.THydrogen-bonded Turntrans-60.8-32-174.9-57.8-29.2000113.3
481N81.3Confident83.6Confident75 Ų7572.1 Ų72.140%0.40137%0.37SS..THydrogen-bonded Turntrans-96.79.6174.3-61.9-32000112.7N454 G479N454-N481 WeakPolarHBondContact CB-O 3.37Å; N454-N481 PolarHBondContact N-O 2.93Å; G479-N481 VanDerWaalsContact C-N 3.25Å; G479-N481 PolarHBondContact O-N 2.97Å
482C85Confident83.7Confident0 Ų072.3 Ų72.30%037%0.368CS..THydrogen-bonded Turntrans57.956.8-173.7-45.80000114N454 G457 C473 V477 G479N454-C482 WeakPolarHBondContact CB-O 3.13Å; G457-C482 WeakPolarHBondContact CA-O 3.46Å; C473-C482 WeakPolarHBondContact CA-SG 3.41Å; C473-C482 HydrophobicContact CB-CB 3.73Å; C473-C482 WeakPolarHBondContact CB-SG 3.37Å; C473-C482 VanDerWaalsContact SG-CA 3.52Å; C473-C482 WeakPolarHBondContact SG-CB 3.27Å; C473-C482 CovalentContact SG-SG 2.04Å; C473-C482 PolarHBondContact SG-SG 2.72Å; V477-C482 HydrophobicContact CG1-CB 4.34Å; G479-C482 WeakPolarHBondContact O-CA 2.9Å; G479-C482 PolarHBondContact O-N 2.76Å
483D84.8Confident83.5Confident59 Ų5969.3 Ų69.332%0.31635%0.351SS..  trans-117.3-0.7-161.767.23.4000117.7T478T478-D483 PolarHBondContact O-N 2.96Å
484R84.9Confident83.1Confident149 Ų14971.4 Ų71.456%0.56236%0.358SS*.EExtended strand (participates in β ladder)trans-139.6150.7-173.7-82.8166-81.9-179.4-9.9115.1V477 T478V477-R484 CarbonylContact C-O 3.51Å; V477-R484 VanDerWaalsContact CA-O 3.28Å; V477-R484 WeakPolarHBondContact CA-O 3.32Å; T478-R484 HydrophobicContact CG2-CB 3.96Å; T478-R484 PolarHBondContact N-O 2.69Å; T478-R484 PolarHBondContact O-N 2.83Å
485C85.1Confident82.7Confident29 Ų2973.8 Ų73.820%0.19637%0.37CS..EExtended strand (participates in β ladder)trans-86.5164.2171.6-63.70000113.4L492 C499C485-L492 PolarHBondContact SG-N 3.02Å; C485-C499 WeakPolarHBondContact CA-SG 2.92Å; C485-C499 HydrophobicContact CB-CB 3.78Å; C485-C499 WeakPolarHBondContact CB-SG 3.16Å; C485-C499 WeakPolarHBondContact SG-CB 3.31Å; C485-C499 CovalentContact SG-SG 2.04Å; C485-C499 PolarHBondContact SG-SG 3.48Å
486L81.1Confident82.5Confident92 Ų9271.1 Ų71.148%0.48238%0.375SS..PPolyproline II helixtrans-78.4164.8166-78.6126000113.1L476 H489L476-L486 HydrophobicContact CB-CD1 4.26Å; L476-L486 HydrophobicContact CD2-CD1 4.3Å; L486-H489 PolarHBondContact O-N 2.57Å
487E80.2Confident82.2Confident184 Ų18472.4 Ų72.486%0.8638%0.382SS*.THydrogen-bonded Turntrans-64156.6176.6-69.7-174.5153.300113.3H489E487-H489 PolarHBondContact O-N 2.75Å; E487-H489 VanDerWaalsContact O-N 3.08Å; E487-H489 PolarHBondContact O-ND1 2.69Å
488E83.3Confident82Confident134 Ų13471.8 Ų71.863%0.62638%0.378SS*.THydrogen-bonded Turntrans56.210.7-168.2-59.8-168.3164.300114.9P501 C502E488-P501 WeakPolarHBondContact O-CA 3.36Å; E488-C502 PolarHBondContact O-N 2.58Å; E488-C502 PolarHBondContact O-SG 2.98Å; E488-C502 VanDerWaalsContact O-SG 3.34Å
489H87.9Confident82.1Confident52 Ų5268.4 Ų68.424%0.24136%0.358CS..EExtended strand (participates in β ladder)trans-127.3154.6176.5-58.968.9000111.8L486 E487 C499 K500L486-H489 PolarHBondContact O-N 2.57Å; E487-H489 PolarHBondContact O-N 2.75Å; E487-H489 VanDerWaalsContact O-N 3.08Å; E487-H489 PolarHBondContact O-ND1 2.69Å; H489-C499 HydrophobicContact CB-CB 4.22Å; H489-K500 CarbonylContact C-O 3.58Å; H489-K500 WeakPolarHBondContact CA-O 2.96Å; H489-K500 WeakPolarHBondContact CB-O 2.9Å
490Y87.4Confident82.4Confident39 Ų3971.1 Ų71.115%0.15336%0.364CS..EExtended strand (participates in β ladder)trans-141.3166-17777.8-85000112.7K500 P501 D515 S516 N518 G519 R530Y490-K500 HydrophobicContact CD1-CB 4.42Å; Y490-K500 VanDerWaalsContact CD1-O 3.29Å; Y490-K500 WeakPolarHBondContact CD1-O 3Å; Y490-K500 HydrophobicContact CE1-CB 4.11Å; Y490-K500 PolarHBondContact N-O 3.32Å; Y490-K500 PolarHBondContact O-N 2.64Å; Y490-P501 WeakPolarHBondContact CE1-O 3.43Å; Y490-D515 VanDerWaalsContact CB-O 3.26Å; Y490-D515 WeakPolarHBondContact CB-O 2.86Å; Y490-S516 VanDerWaalsContact CA-O 3.24Å; Y490-S516 WeakPolarHBondContact CA-O 2.98Å; Y490-S516 WeakPolarHBondContact CB-O 3.05Å; Y490-N518 VanDerWaalsContact CD2-C 3.41Å; Y490-N518 WeakPolarHBondContact CE2-O 3.14Å; Y490-G519 VanDerWaalsContact CD2-CA 3.42Å; Y490-G519 VanDerWaalsContact CD2-N 3.27Å; Y490-R530 VanDerWaalsContact OH-CD 3.31Å; Y490-R530 WeakPolarHBondContact OH-CD 2.92Å; Y490-R530 PolarHBondContact OH-NE 3.1Å
491G84.7Confident82.7Confident21 Ų2167.6 Ų67.622%0.21635%0.349CS..  trans71.773.6165.700000114.5S493 S516G491-S493 WeakPolarHBondContact O-CB 2.77Å; G491-S493 PolarHBondContact O-N 2.79Å; G491-S493 PolarHBondContact O-OG 2.87Å; G491-S516 PolarHBondContact N-O 3.1Å; G491-S516 VanDerWaalsContact N-O 3.14Å
492L83.1Confident82.8Confident39 Ų3964.1 Ų64.120%0.20433%0.331CS..  trans-56.4118.2170.5-178.864.3000109.8L456 V477 C485 G498L456-L492 HydrophobicContact CB-CG 4.17Å; V477-L492 HydrophobicContact CB-CD1 4.19Å; V477-L492 HydrophobicContact CG1-CD1 3.65Å; V477-L492 HydrophobicContact CG2-CD1 3.43Å; V477-L492 VanDerWaalsContact CG2-CD1 3.43Å; C485-L492 PolarHBondContact SG-N 3.02Å; L492-G498 CarbonylContact C-O 3.5Å; L492-G498 WeakPolarHBondContact CA-O 3.4Å
493S79.3Confident82.8Confident28 Ų2868.1 Ų68.120%0.19635%0.353CS..  trans-144.5176.1-166.860.50000111.5L456 G491 E495 G498L456-S493 VanDerWaalsContact O-O 3.14Å; G491-S493 WeakPolarHBondContact O-CB 2.77Å; G491-S493 PolarHBondContact O-N 2.79Å; G491-S493 PolarHBondContact O-OG 2.87Å; S493-E495 PolarHBondContact O-N 2.67Å; S493-G498 PolarHBondContact N-O 3.22Å; S493-G498 PolarHBondContact OG-O 3.23Å; S493-G498 VanDerWaalsContact OG-O 3.07Å
494D76Confident82.8Confident102 Ų10266 Ų6655%0.54534%0.342SS..SBendtrans-76.3-8.6-179.395.4-34000114L456 K474L456-D494 HydrophobicContact CD2-CB 4.21Å; K474-D494 VanDerWaalsContact NZ-C 3.31Å; K474-D494 PolarHBondContact NZ-O 2.56Å
495E76.8Confident82.6Confident74 Ų7460.9 Ų60.935%0.34633%0.326SS..SBendtrans-54.4153.9-177.4-71.6-168.6178.400112.8K474 S493 D497 G498 K500K474-E495 WeakPolarHBondContact CD-O 3.03Å; S493-E495 PolarHBondContact O-N 2.67Å; E495-D497 PolarHBondContact O-N 2.56Å; E495-G498 WeakPolarHBondContact O-CA 3.49Å; E495-G498 PolarHBondContact O-N 3.29Å; E495-K500 WeakPolarHBondContact OE1-CE 3.29Å; E495-K500 IonicContact OE1-NZ 2.79Å; E495-K500 PolarHBondContact OE1-NZ 2.69Å; E495-K500 WeakPolarHBondContact OE2-CE 3.35Å; E495-K500 IonicContact OE2-NZ 3.48Å
496P76.7Confident82.1Confident119 Ų11962.8 Ų62.877%0.77334%0.336SS*.THydrogen-bonded Turntrans-55.3-34.1-171-27.535.2000114.6
497D81.1Confident81.8Confident55 Ų5558.5 Ų58.529%0.29432%0.315SS..THydrogen-bonded Turntrans-90.9-21.6176.7-82.3-20000113.5R475 L476 E495R475-D497 IonicContact CZ-OD1 3.91Å; R475-D497 IonicContact CZ-OD2 3.59Å; R475-D497 IonicContact NE-OD1 3.01Å; R475-D497 PolarHBondContact NE-OD1 2.79Å; R475-D497 IonicContact NE-OD2 2.75Å; R475-D497 IonicContact NH2-OD1 3.62Å; R475-D497 PolarHBondContact NH2-OD1 3.15Å; R475-D497 IonicContact NH2-OD2 2.76Å; R475-D497 PolarHBondContact NH2-OD2 2.99Å; L476-D497 WeakPolarHBondContact CA-O 3.31Å; L476-D497 VanDerWaalsContact CB-O 3.28Å; L476-D497 WeakPolarHBondContact CB-O 2.94Å; L476-D497 HydrophobicContact CD1-CB 3.85Å; L476-D497 HydrophobicContact CG-CB 3.94Å; L476-D497 PolarHBondContact N-O 3.33Å; E495-D497 PolarHBondContact O-N 2.56Å
498G81.4Confident81.7Confident0 Ų049.8 Ų49.80%027%0.274CS..SBendtrans91.3-32.1177.400000116.8L492 S493 E495L492-G498 CarbonylContact C-O 3.5Å; L492-G498 WeakPolarHBondContact CA-O 3.4Å; S493-G498 PolarHBondContact N-O 3.22Å; S493-G498 PolarHBondContact OG-O 3.23Å; S493-G498 VanDerWaalsContact OG-O 3.07Å; E495-G498 WeakPolarHBondContact O-CA 3.49Å; E495-G498 PolarHBondContact O-N 3.29Å
499C87.6Confident81.7Confident6 Ų643.6 Ų43.64%0.04125%0.246CC..  trans-140.2158.9-176.5-56.30000113.1L476 C485 H489L476-C499 HydrophobicContact CB-CB 4.27Å; C485-C499 WeakPolarHBondContact CA-SG 2.92Å; C485-C499 HydrophobicContact CB-CB 3.78Å; C485-C499 WeakPolarHBondContact CB-SG 3.16Å; C485-C499 WeakPolarHBondContact SG-CB 3.31Å; C485-C499 CovalentContact SG-SG 2.04Å; C485-C499 PolarHBondContact SG-SG 3.48Å; H489-C499 HydrophobicContact CB-CB 4.22Å
500K84.9Confident81.3Confident78 Ų7847.5 Ų47.534%0.33926%0.26SS..EExtended strand (participates in β ladder)trans-119.5149-171.5-65.6-179.4177.9-178.60114.1H489 Y490 E495H489-K500 CarbonylContact C-O 3.58Å; H489-K500 WeakPolarHBondContact CA-O 2.96Å; H489-K500 WeakPolarHBondContact CB-O 2.9Å; Y490-K500 HydrophobicContact CD1-CB 4.42Å; Y490-K500 VanDerWaalsContact CD1-O 3.29Å; Y490-K500 WeakPolarHBondContact CD1-O 3Å; Y490-K500 HydrophobicContact CE1-CB 4.11Å; Y490-K500 PolarHBondContact N-O 3.32Å; Y490-K500 PolarHBondContact O-N 2.64Å; E495-K500 WeakPolarHBondContact OE1-CE 3.29Å; E495-K500 IonicContact OE1-NZ 2.79Å; E495-K500 PolarHBondContact OE1-NZ 2.69Å; E495-K500 WeakPolarHBondContact OE2-CE 3.35Å; E495-K500 IonicContact OE2-NZ 3.48Å
501P83.8Confident80.7Confident84 Ų8448.2 Ų48.255%0.54527%0.266SS..EExtended strand (participates in β ladder)trans-76.8156-179.231.6-36.7000114.9E488 Y490E488-P501 WeakPolarHBondContact O-CA 3.36Å; Y490-P501 WeakPolarHBondContact CE1-O 3.43Å
502C84.9Confident80.5Confident3 Ų350.7 Ų50.72%0.0227%0.274CS..  trans-65.3-56.2-174.1-70.30000117.3E488 C514 R530E488-C502 PolarHBondContact O-N 2.58Å; E488-C502 PolarHBondContact O-SG 2.98Å; E488-C502 VanDerWaalsContact O-SG 3.34Å; C502-C514 WeakPolarHBondContact CA-SG 2.96Å; C502-C514 HydrophobicContact CB-CB 3.7Å; C502-C514 WeakPolarHBondContact CB-SG 3.04Å; C502-C514 WeakPolarHBondContact SG-CB 3Å; C502-C514 PolarHBondContact SG-N 2.68Å; C502-C514 CovalentContact SG-SG 2.03Å; C502-C514 PolarHBondContact SG-SG 2.92Å; C502-R530 PolarHBondContact O-NH1 2.8Å; C502-R530 PolarHBondContact O-NH2 3.39Å
503D84.8Confident80.5Confident84 Ų8453.3 Ų53.345%0.44929%0.291SS..  trans49.375.7176.6178.140.2000116.6R530 R531D503-R530 PolarHBondContact O-NH2 3.24Å; D503-R531 VanDerWaalsContact O-CG 3.3Å; D503-R531 WeakPolarHBondContact O-CG 3.02Å; D503-R531 PolarHBondContact O-NE 3.18Å; D503-R531 IonicContact OD1-CZ 3.6Å; D503-R531 IonicContact OD1-NE 2.72Å; D503-R531 IonicContact OD1-NH2 3.72Å; D503-R531 PolarHBondContact OD1-NH2 2.66Å; D503-R531 IonicContact OD2-CZ 3.77Å; D503-R531 VanDerWaalsContact OD2-CZ 3.27Å; D503-R531 IonicContact OD2-NE 2.86Å; D503-R531 PolarHBondContact OD2-NE 3.44Å; D503-R531 IonicContact OD2-NH2 3.27Å; D503-R531 PolarHBondContact OD2-NH2 3.04Å
504C84.3Confident80.8Confident13 Ų1353 Ų539%0.08829%0.289CS..  trans-96.1153.2179.7-530000114.1A509 D511 N512 C521C504-A509 HydrophobicContact CB-CB 4.12Å; C504-D511 WeakPolarHBondContact CB-O 3.38Å; C504-N512 PolarHBondContact N-OD1 2.64Å; C504-C521 WeakPolarHBondContact CA-SG 2.9Å; C504-C521 HydrophobicContact CB-CB 3.66Å; C504-C521 WeakPolarHBondContact CB-SG 3.31Å; C504-C521 WeakPolarHBondContact SG-CB 3.38Å; C504-C521 CovalentContact SG-SG 2.02Å; C504-C521 PolarHBondContact SG-SG 3.35Å
505D80.3Confident81Confident42 Ų4251.9 Ų51.923%0.22528%0.283CS..  trans-76.8142.5179.9-175.765.7000114G507 G508 A509 R531 D533D505-G507 WeakPolarHBondContact OD2-CA 3.31Å; D505-G507 PolarHBondContact OD2-N 2.76Å; D505-G508 PolarHBondContact OD2-N 3.28Å; D505-A509 WeakPolarHBondContact O-CB 2.96Å; D505-A509 PolarHBondContact O-N 2.68Å; D505-A509 VanDerWaalsContact O-N 3.13Å; D505-R531 VanDerWaalsContact CB-O 3.23Å; D505-R531 WeakPolarHBondContact CB-O 3.46Å; D505-R531 PolarHBondContact N-O 2.67Å; D505-D533 HydrophobicContact CB-CB 4.06Å
506V75.3Confident80.9Confident69 Ų6952.4 Ų52.442%0.41830%0.295SS..THydrogen-bonded Turntrans-81.6-24.3-172.5-1780000113.5
507G73.5Confident80.9Confident3 Ų349.1 Ų49.13%0.03128%0.283CS..THydrogen-bonded Turntrans-87-54.9176.800000111.7D505 R524D505-G507 WeakPolarHBondContact OD2-CA 3.31Å; D505-G507 PolarHBondContact OD2-N 2.76Å; G507-R524 WeakPolarHBondContact O-CD 2.92Å; G507-R524 PolarHBondContact O-NE 2.63Å
508G79Confident80.9Confident0 Ų051.1 Ų51.10%029%0.294CS..THydrogen-bonded Turntrans-90.2-13.9-171.700000115.9D505 C523 R524 C532D505-G508 PolarHBondContact OD2-N 3.28Å; G508-C523 CarbonylContact O-C 3.52Å; G508-C523 WeakPolarHBondContact O-CA 3.3Å; G508-R524 PolarHBondContact O-N 3.46Å; G508-C532 VanDerWaalsContact C-CB 3.45Å; G508-C532 VanDerWaalsContact CA-O 3.26Å; G508-C532 WeakPolarHBondContact CA-O 3.32Å; G508-C532 WeakPolarHBondContact O-CB 3.38Å
509A83.8Confident81.1Confident5 Ų551.1 Ų51.14%0.04129%0.294CS..BIsolated β-bridgetrans-97.7160.8170.200000112.9C504 D505 R522 C532C504-A509 HydrophobicContact CB-CB 4.12Å; D505-A509 WeakPolarHBondContact O-CB 2.96Å; D505-A509 PolarHBondContact O-N 2.68Å; D505-A509 VanDerWaalsContact O-N 3.13Å; A509-R522 CarbonylContact C-O 3.48Å; A509-R522 VanDerWaalsContact CA-O 3.3Å; A509-R522 WeakPolarHBondContact CA-O 3.25Å; A509-C532 HydrophobicContact CB-CB 3.88Å
510Y78.3Confident81.1Confident134 Ų13454.6 Ų54.653%0.52531%0.309SS..SBendtrans-84.7-35.5172.1-68.2-67.7000113.1R522 C523 R524Y510-R522 HydrophobicContact CD2-CB 4.33Å; Y510-R522 WeakPolarHBondContact CD2-O 3.05Å; Y510-R522 PolarHBondContact N-O 2.6Å; Y510-C523 WeakPolarHBondContact CE2-O 3.43Å; Y510-R524 HydrophobicContact CD1-CG 4.33Å; Y510-R524 HydrophobicContact CE1-CG 3.97Å
511D76.1Confident81.2Confident54 Ų5451.1 Ų51.129%0.28930%0.295SS..  trans-157.9-179.1-176.763.965.2000111.6C504 V513 R522C504-D511 WeakPolarHBondContact CB-O 3.38Å; D511-V513 WeakPolarHBondContact OD1-CB 3.23Å; D511-V513 PolarHBondContact OD1-N 3.44Å; D511-R522 IonicContact OD2-CZ 3.18Å; D511-R522 IonicContact OD2-NH1 2.69Å; D511-R522 PolarHBondContact OD2-NH1 2.59Å
512N80.4Confident81.5Confident72 Ų7254.2 Ų54.239%0.38530%0.295SS..SBendtrans-100.412.7-176.3-16662.4000114.3C504C504-N512 PolarHBondContact N-OD1 2.64Å
513V81.9Confident81.6Confident94 Ų9455.7 Ų55.757%0.5731%0.305SS*.  trans-87.5132179-176.60000109.3D511D511-V513 WeakPolarHBondContact OD1-CB 3.23Å; D511-V513 PolarHBondContact OD1-N 3.44Å
514C85.6Confident81.5Confident21 Ų2154.1 Ų54.114%0.14229%0.293CS..  trans-126.8160.6179.779.60000113.3C502 G519 Q520C502-C514 WeakPolarHBondContact CA-SG 2.96Å; C502-C514 HydrophobicContact CB-CB 3.7Å; C502-C514 WeakPolarHBondContact CB-SG 3.04Å; C502-C514 WeakPolarHBondContact SG-CB 3Å; C502-C514 PolarHBondContact SG-N 2.68Å; C502-C514 CovalentContact SG-SG 2.03Å; C502-C514 PolarHBondContact SG-SG 2.92Å; C514-G519 WeakPolarHBondContact CB-O 2.88Å; C514-Q520 WeakPolarHBondContact CA-O 3.08Å
515D80.6Confident81.6Confident79 Ų7956.3 Ų56.342%0.42231%0.309SS..  trans-66.7134.1175176.5-83.5000111.9Y490 G517 N518 G519 Q520Y490-D515 VanDerWaalsContact CB-O 3.26Å; Y490-D515 WeakPolarHBondContact CB-O 2.86Å; D515-G517 VanDerWaalsContact C-N 3.28Å; D515-G517 PolarHBondContact O-N 2.73Å; D515-G517 VanDerWaalsContact OD1-CA 3.32Å; D515-G517 WeakPolarHBondContact OD1-CA 3.39Å; D515-G517 PolarHBondContact OD1-N 2.72Å; D515-N518 WeakPolarHBondContact CB-OD1 3.25Å; D515-N518 PolarHBondContact OD1-N 2.77Å; D515-N518 PolarHBondContact OD1-OD1 3.31Å; D515-G519 WeakPolarHBondContact O-CA 3.33Å; D515-G519 PolarHBondContact O-N 3.09Å; D515-Q520 PolarHBondContact N-O 2.75Å
516S75.6Confident82Confident85 Ų8556.5 Ų56.559%0.59431%0.308SS*.THydrogen-bonded Turntrans-72.9-14.4-174.655.70000114.8Y490 G491Y490-S516 VanDerWaalsContact CA-O 3.24Å; Y490-S516 WeakPolarHBondContact CA-O 2.98Å; Y490-S516 WeakPolarHBondContact CB-O 3.05Å; G491-S516 PolarHBondContact N-O 3.1Å; G491-S516 VanDerWaalsContact N-O 3.14Å
517G74.8Confident82.5Confident51 Ų5153.6 Ų53.653%0.52629%0.29SS..THydrogen-bonded Turntrans-87.4-54.8173.400000112.1D515D515-G517 VanDerWaalsContact C-N 3.28Å; D515-G517 PolarHBondContact O-N 2.73Å; D515-G517 VanDerWaalsContact OD1-CA 3.32Å; D515-G517 WeakPolarHBondContact OD1-CA 3.39Å; D515-G517 PolarHBondContact OD1-N 2.72Å
518N82.2Confident83Confident96 Ų9656.6 Ų56.651%0.51331%0.308SS..THydrogen-bonded Turntrans-111.3-11-168.467.938.4000115.3Y490 D515 Q520Y490-N518 VanDerWaalsContact CD2-C 3.41Å; Y490-N518 WeakPolarHBondContact CE2-O 3.14Å; D515-N518 WeakPolarHBondContact CB-OD1 3.25Å; D515-N518 PolarHBondContact OD1-N 2.77Å; D515-N518 PolarHBondContact OD1-OD1 3.31Å; N518-Q520 VanDerWaalsContact C-N 3.35Å; N518-Q520 PolarHBondContact O-N 3Å; N518-Q520 WeakPolarHBondContact OD1-CB 3.21Å; N518-Q520 PolarHBondContact OD1-N 3.49Å
519G85.1Confident83.2Confident0 Ų058.2 Ų58.20%032%0.324CS..  trans74.915.3177.800000115.3Y490 C514 D515 C521 R530Y490-G519 VanDerWaalsContact CD2-CA 3.42Å; Y490-G519 VanDerWaalsContact CD2-N 3.27Å; C514-G519 WeakPolarHBondContact CB-O 2.88Å; D515-G519 WeakPolarHBondContact O-CA 3.33Å; D515-G519 PolarHBondContact O-N 3.09Å; G519-C521 PolarHBondContact O-N 3.4Å; G519-R530 VanDerWaalsContact O-CG 3.24Å; G519-R530 WeakPolarHBondContact O-CG 3.32Å; G519-R530 PolarHBondContact O-NH1 3.2Å
520Q88.1Confident83.3Confident79 Ų7961 Ų6137%0.36933%0.334SS..  trans-69.4126.5-177.7-177.859.154.600112.2C514 D515 N518 G529 R530C514-Q520 WeakPolarHBondContact CA-O 3.08Å; D515-Q520 PolarHBondContact N-O 2.75Å; N518-Q520 VanDerWaalsContact C-N 3.35Å; N518-Q520 PolarHBondContact O-N 3Å; N518-Q520 WeakPolarHBondContact OD1-CB 3.21Å; N518-Q520 PolarHBondContact OD1-N 3.49Å; Q520-G529 PolarHBondContact NE2-O 2.91Å; Q520-R530 PolarHBondContact NE2-O 3Å
521C87.6Confident83.7Confident5 Ų558.1 Ų58.13%0.03432%0.322CS..  trans-83.3163.7172.4-59.10000112.1C504 G519 R530C504-C521 WeakPolarHBondContact CA-SG 2.9Å; C504-C521 HydrophobicContact CB-CB 3.66Å; C504-C521 WeakPolarHBondContact CB-SG 3.31Å; C504-C521 WeakPolarHBondContact SG-CB 3.38Å; C504-C521 CovalentContact SG-SG 2.02Å; C504-C521 PolarHBondContact SG-SG 3.35Å; G519-C521 PolarHBondContact O-N 3.4Å; C521-R530 WeakPolarHBondContact CB-O 2.82Å; C521-R530 PolarHBondContact N-O 3.03Å; C521-R530 PolarHBondContact SG-O 3.3Å
522R88.4Confident84.2Confident149 Ų14955.6 Ų55.656%0.56231%0.308SS*.  trans-90.4103.8-177.4-60175.466.7-146.72111.6A509 Y510 D511A509-R522 CarbonylContact C-O 3.48Å; A509-R522 VanDerWaalsContact CA-O 3.3Å; A509-R522 WeakPolarHBondContact CA-O 3.25Å; Y510-R522 HydrophobicContact CD2-CB 4.33Å; Y510-R522 WeakPolarHBondContact CD2-O 3.05Å; Y510-R522 PolarHBondContact N-O 2.6Å; D511-R522 IonicContact OD2-CZ 3.18Å; D511-R522 IonicContact OD2-NH1 2.69Å; D511-R522 PolarHBondContact OD2-NH1 2.59Å
523C87Confident84.3Confident34 Ų3454.8 Ų54.823%0.2330%0.304CS..BIsolated β-bridgetrans-89.3150.7-171.1-47.10000114.9G508 Y510 F527 C532G508-C523 CarbonylContact O-C 3.52Å; G508-C523 WeakPolarHBondContact O-CA 3.3Å; Y510-C523 WeakPolarHBondContact CE2-O 3.43Å; C523-F527 HydrophobicContact CB-CB 4.42Å; C523-F527 WeakPolarHBondContact CB-O 3.14Å; C523-C532 WeakPolarHBondContact CA-SG 3.39Å; C523-C532 HydrophobicContact CB-CB 3.53Å; C523-C532 WeakPolarHBondContact CB-SG 3.32Å; C523-C532 PolarHBondContact N-SG 2.85Å; C523-C532 VanDerWaalsContact SG-CA 3.57Å; C523-C532 WeakPolarHBondContact SG-CB 3.26Å; C523-C532 CovalentContact SG-SG 2.03Å; C523-C532 PolarHBondContact SG-SG 2.83Å
524R84.4Confident84.4Confident51 Ų5155.8 Ų55.819%0.19230%0.302CS..PPolyproline II helixtrans-68.8167.4167.1-66.1-168.8-165.5-103.9-7.7111.5G507 G508 Y510 H526 F527 D756G507-R524 WeakPolarHBondContact O-CD 2.92Å; G507-R524 PolarHBondContact O-NE 2.63Å; G508-R524 PolarHBondContact O-N 3.46Å; Y510-R524 HydrophobicContact CD1-CG 4.33Å; Y510-R524 HydrophobicContact CE1-CG 3.97Å; R524-H526 PolarHBondContact O-N 3.11Å; R524-F527 HydrophobicContact CB-CD2 4.11Å; R524-F527 PolarHBondContact O-N 2.8Å; R524-F527 VanDerWaalsContact O-N 3.15Å; R524-D756 IonicContact CZ-OD1 2.67Å; R524-D756 IonicContact NH1-OD1 3.6Å; R524-D756 PolarHBondContact NH1-OD1 2.86Å
525S85.8Confident84.2Confident59 Ų5955.9 Ų55.941%0.41330%0.303SS..BIsolated β-bridgetrans-61.9131.3179.5-159.50000111.7F527 Q757 G758S525-F527 VanDerWaalsContact C-N 3.26Å; S525-F527 PolarHBondContact O-N 3.41Å; S525-Q757 VanDerWaalsContact O-CA 3.31Å; S525-Q757 WeakPolarHBondContact O-CA 3.36Å; S525-G758 PolarHBondContact O-N 3.13Å; S525-G758 VanDerWaalsContact O-N 3.12Å
526H88.1Confident84.3Confident46 Ų4654.2 Ų54.221%0.21329%0.294CS..THydrogen-bonded Turntrans6225.3-175.6-48.3-55.7000115.7R524 P535 D536 Y539R524-H526 PolarHBondContact O-N 3.11Å; H526-P535 CarbonylContact O-C 3.5Å; H526-P535 VanDerWaalsContact O-CA 3.28Å; H526-P535 WeakPolarHBondContact O-CA 3.48Å; H526-D536 WeakPolarHBondContact CA-OD2 3.38Å; H526-D536 HydrophobicContact CB-CB 4.34Å; H526-D536 IonicContact ND1-OD2 2.87Å; H526-D536 PolarHBondContact O-N 2.73Å; H526-Y539 HydrophobicContact CB-CD1 3.81Å; H526-Y539 HydrophobicContact CB-CD2 4.3Å; H526-Y539 HydrophobicContact CB-CE1 4.21Å; H526-Y539 HydrophobicContact CB-CG 3.87Å; H526-Y539 AromaticContact CD2-CD1 3.8Å; H526-Y539 AromaticContact CD2-CE1 3.41Å; H526-Y539 VanDerWaalsContact CD2-CE1 3.41Å; H526-Y539 WeakPolarHBondContact CD2-CE1 3.12Å; H526-Y539 AromaticContact CD2-CZ 3.95Å; H526-Y539 AromaticContact CE1-CE1 3.76Å; H526-Y539 AromaticContact CE1-CZ 3.47Å; H526-Y539 VanDerWaalsContact CE1-CZ 3.47Å; H526-Y539 PolarHBondContact CE1-OH 3.11Å; H526-Y539 AromaticContact CG-CD1 3.61Å; H526-Y539 AromaticContact CG-CE1 3.49Å; H526-Y539 VanDerWaalsContact CG-CE1 3.49Å; H526-Y539 AromaticContact CG-CZ 3.76Å; H526-Y539 AromaticContact ND1-CE1 3.71Å; H526-Y539 AromaticContact ND1-CE2 3.7Å; H526-Y539 AromaticContact ND1-CZ 3.46Å; H526-Y539 AromaticContact NE2-CE1 3.63Å; H526-Y539 AromaticContact NE2-CZ 3.8Å
527F85.8Confident84.6Confident9 Ų955.8 Ų55.84%0.03931%0.305CS..EExtended strand (participates in β ladder)trans-115.7136163.7-75.3-93.5000110.6C523 R524 S525 H534 A752C523-F527 HydrophobicContact CB-CB 4.42Å; C523-F527 WeakPolarHBondContact CB-O 3.14Å; R524-F527 HydrophobicContact CB-CD2 4.11Å; R524-F527 PolarHBondContact O-N 2.8Å; R524-F527 VanDerWaalsContact O-N 3.15Å; S525-F527 VanDerWaalsContact C-N 3.26Å; S525-F527 PolarHBondContact O-N 3.41Å; F527-H534 CarbonylContact C-O 3.54Å; F527-H534 VanDerWaalsContact CA-O 3.3Å; F527-H534 WeakPolarHBondContact CA-O 3.29Å; F527-A752 HydrophobicContact CE2-CB 4.08Å; F527-A752 HydrophobicContact CZ-CB 3.73Å
528T85.4Confident84.9Confident66 Ų6654.5 Ų54.541%0.40529%0.292SS..EExtended strand (participates in β ladder)trans-135.1-179.7-176.733.20000111.9C532 D533 H534 D536T528-C532 CarbonylContact O-C 3.58Å; T528-C532 WeakPolarHBondContact O-CA 3.48Å; T528-D533 PolarHBondContact O-N 2.89Å; T528-H534 PolarHBondContact N-O 3.24Å; T528-H534 PolarHBondContact O-N 2.87Å; T528-D536 WeakPolarHBondContact CB-OD1 3.19Å; T528-D536 WeakPolarHBondContact CG2-OD1 2.83Å; T528-D536 PolarHBondContact OG1-OD1 2.77Å
529G81.9Confident85.1Confident33 Ų3353.8 Ų53.834%0.3428%0.282SS..SBendtrans94.6159.1-170.900000112.1Q520 R531 C532Q520-G529 PolarHBondContact NE2-O 2.91Å; G529-R531 PolarHBondContact O-N 2.96Å; G529-R531 VanDerWaalsContact O-N 3.17Å; G529-C532 PolarHBondContact O-N 2.71Å
530R86Confident85.2Confident64 Ų6453.9 Ų53.924%0.24228%0.282CS..THydrogen-bonded Turntrans-55.4-37.2-178.6-165.9-16264.870.4-6.3112Y490 C502 D503 G519 Q520 C521Y490-R530 VanDerWaalsContact OH-CD 3.31Å; Y490-R530 WeakPolarHBondContact OH-CD 2.92Å; Y490-R530 PolarHBondContact OH-NE 3.1Å; C502-R530 PolarHBondContact O-NH1 2.8Å; C502-R530 PolarHBondContact O-NH2 3.39Å; D503-R530 PolarHBondContact O-NH2 3.24Å; G519-R530 VanDerWaalsContact O-CG 3.24Å; G519-R530 WeakPolarHBondContact O-CG 3.32Å; G519-R530 PolarHBondContact O-NH1 3.2Å; Q520-R530 PolarHBondContact NE2-O 3Å; C521-R530 WeakPolarHBondContact CB-O 2.82Å; C521-R530 PolarHBondContact N-O 3.03Å; C521-R530 PolarHBondContact SG-O 3.3Å
531R87.3Confident85Confident74 Ų7450.2 Ų50.228%0.27927%0.266SS..THydrogen-bonded Turntrans-94.9-8-178.4-52.8177.869.7-1318.9113.2D503 D505 G529 D533D503-R531 VanDerWaalsContact O-CG 3.3Å; D503-R531 WeakPolarHBondContact O-CG 3.02Å; D503-R531 PolarHBondContact O-NE 3.18Å; D503-R531 IonicContact OD1-CZ 3.6Å; D503-R531 IonicContact OD1-NE 2.72Å; D503-R531 IonicContact OD1-NH2 3.72Å; D503-R531 PolarHBondContact OD1-NH2 2.66Å; D503-R531 IonicContact OD2-CZ 3.77Å; D503-R531 VanDerWaalsContact OD2-CZ 3.27Å; D503-R531 IonicContact OD2-NE 2.86Å; D503-R531 PolarHBondContact OD2-NE 3.44Å; D503-R531 IonicContact OD2-NH2 3.27Å; D503-R531 PolarHBondContact OD2-NH2 3.04Å; D505-R531 VanDerWaalsContact CB-O 3.23Å; D505-R531 WeakPolarHBondContact CB-O 3.46Å; D505-R531 PolarHBondContact N-O 2.67Å; G529-R531 PolarHBondContact O-N 2.96Å; G529-R531 VanDerWaalsContact O-N 3.17Å; R531-D533 HydrophobicContact CB-CB 4.42Å; R531-D533 IonicContact NH1-OD2 3.52Å; R531-D533 PolarHBondContact NH1-OD2 3.36Å
532C87.1Confident84.6Confident0 Ų050.2 Ų50.20%027%0.266CS..SBendtrans6633-170.4-43.20000114.5G508 A509 C523 T528 G529G508-C532 VanDerWaalsContact C-CB 3.45Å; G508-C532 VanDerWaalsContact CA-O 3.26Å; G508-C532 WeakPolarHBondContact CA-O 3.32Å; G508-C532 WeakPolarHBondContact O-CB 3.38Å; A509-C532 HydrophobicContact CB-CB 3.88Å; C523-C532 WeakPolarHBondContact CA-SG 3.39Å; C523-C532 HydrophobicContact CB-CB 3.53Å; C523-C532 WeakPolarHBondContact CB-SG 3.32Å; C523-C532 PolarHBondContact N-SG 2.85Å; C523-C532 VanDerWaalsContact SG-CA 3.57Å; C523-C532 WeakPolarHBondContact SG-CB 3.26Å; C523-C532 CovalentContact SG-SG 2.03Å; C523-C532 PolarHBondContact SG-SG 2.83Å; T528-C532 CarbonylContact O-C 3.58Å; T528-C532 WeakPolarHBondContact O-CA 3.48Å; G529-C532 PolarHBondContact O-N 2.71Å
533D80.9Confident84.1Confident56 Ų5644.2 Ų44.230%0.29925%0.245SC..  trans-93.6-1.2-173.946.50.7000115.1D505 T528 R531D505-D533 HydrophobicContact CB-CB 4.06Å; T528-D533 PolarHBondContact O-N 2.89Å; R531-D533 HydrophobicContact CB-CB 4.42Å; R531-D533 IonicContact NH1-OD2 3.52Å; R531-D533 PolarHBondContact NH1-OD2 3.36Å
534H84.2Confident83.7Confident114 Ų11442.8 Ų42.853%0.52824%0.235SC..EExtended strand (participates in β ladder)trans-125.6138.2-176.3-64.675.2000111.4F527 T528F527-H534 CarbonylContact C-O 3.54Å; F527-H534 VanDerWaalsContact CA-O 3.3Å; F527-H534 WeakPolarHBondContact CA-O 3.29Å; T528-H534 PolarHBondContact N-O 3.24Å; T528-H534 PolarHBondContact O-N 2.87Å
535P82Confident83.5Confident24 Ų2441.2 Ų41.216%0.15623%0.231CC..EExtended strand (participates in β ladder)trans-73.2152.8167.731.3-33.5000111.3H526 P775H526-P535 CarbonylContact O-C 3.5Å; H526-P535 VanDerWaalsContact O-CA 3.28Å; H526-P535 WeakPolarHBondContact O-CA 3.48Å; P535-P775 HydrophobicContact CG-CB 3.79Å
536D83Confident83.3Confident44 Ų4440.3 Ų40.324%0.23522%0.219CC..PPolyproline II helixtrans-60.8150.4177.3-76.2-5.3000112.8H526 T528 G538 Y539H526-D536 WeakPolarHBondContact CA-OD2 3.38Å; H526-D536 HydrophobicContact CB-CB 4.34Å; H526-D536 IonicContact ND1-OD2 2.87Å; H526-D536 PolarHBondContact O-N 2.73Å; T528-D536 WeakPolarHBondContact CB-OD1 3.19Å; T528-D536 WeakPolarHBondContact CG2-OD1 2.83Å; T528-D536 PolarHBondContact OG1-OD1 2.77Å; D536-G538 PolarHBondContact O-N 3.1Å; D536-Y539 HydrophobicContact CB-CD2 3.72Å; D536-Y539 HydrophobicContact CB-CE2 4.44Å; D536-Y539 HydrophobicContact CB-CG 4.36Å; D536-Y539 WeakPolarHBondContact O-CA 3.48Å; D536-Y539 WeakPolarHBondContact O-CB 3.45Å; D536-Y539 PolarHBondContact O-N 3.17Å
537S80.7Confident83.2Confident118 Ų11838.3 Ų38.383%0.82521%0.21SC*.THydrogen-bonded Turntrans-56.5121.7173.2-63.70000111.9
538G81.7Confident83.3Confident24 Ų2439.7 Ų39.725%0.24722%0.219CC..THydrogen-bonded Turntrans91.50.5-173.400000114.1D536 C761D536-G538 PolarHBondContact O-N 3.1Å; G538-C761 PolarHBondContact O-N 3.11Å; G538-C761 PolarHBondContact O-SG 3.06Å
539Y87.7Confident83.5Confident80 Ų8037.8 Ų37.831%0.31421%0.205SC..EExtended strand (participates in β ladder)trans-117.7159.4168.7-63-101.2000110.5H526 D536 V759H526-Y539 HydrophobicContact CB-CD1 3.81Å; H526-Y539 HydrophobicContact CB-CD2 4.3Å; H526-Y539 HydrophobicContact CB-CE1 4.21Å; H526-Y539 HydrophobicContact CB-CG 3.87Å; H526-Y539 AromaticContact CD2-CD1 3.8Å; H526-Y539 AromaticContact CD2-CE1 3.41Å; H526-Y539 VanDerWaalsContact CD2-CE1 3.41Å; H526-Y539 WeakPolarHBondContact CD2-CE1 3.12Å; H526-Y539 AromaticContact CD2-CZ 3.95Å; H526-Y539 AromaticContact CE1-CE1 3.76Å; H526-Y539 AromaticContact CE1-CZ 3.47Å; H526-Y539 VanDerWaalsContact CE1-CZ 3.47Å; H526-Y539 PolarHBondContact CE1-OH 3.11Å; H526-Y539 AromaticContact CG-CD1 3.61Å; H526-Y539 AromaticContact CG-CE1 3.49Å; H526-Y539 VanDerWaalsContact CG-CE1 3.49Å; H526-Y539 AromaticContact CG-CZ 3.76Å; H526-Y539 AromaticContact ND1-CE1 3.71Å; H526-Y539 AromaticContact ND1-CE2 3.7Å; H526-Y539 AromaticContact ND1-CZ 3.46Å; H526-Y539 AromaticContact NE2-CE1 3.63Å; H526-Y539 AromaticContact NE2-CZ 3.8Å; D536-Y539 HydrophobicContact CB-CD2 3.72Å; D536-Y539 HydrophobicContact CB-CE2 4.44Å; D536-Y539 HydrophobicContact CB-CG 4.36Å; D536-Y539 WeakPolarHBondContact O-CA 3.48Å; D536-Y539 WeakPolarHBondContact O-CB 3.45Å; D536-Y539 PolarHBondContact O-N 3.17Å; Y539-V759 CarbonylContact C-O 3.55Å; Y539-V759 WeakPolarHBondContact CA-O 3.48Å
540F86.9Confident83.8Confident2 Ų238 Ų381%0.00920%0.197CC..EExtended strand (participates in β ladder)trans-135.6158.3174.267.4-84.9000111.1A542 F546 V759 G760 C773 N774 G777 G778F540-A542 HydrophobicContact CE2-CB 4.47Å; F540-F546 HydrophobicContact CE2-CD2 4.15Å; F540-F546 HydrophobicContact CE2-CE2 4.05Å; F540-F546 HydrophobicContact CZ-CD2 4.22Å; F540-F546 AromaticContact CZ-CE2 3.67Å; F540-F546 HydrophobicContact CZ-CE2 3.67Å; F540-F546 HydrophobicContact CZ-CZ 4.23Å; F540-V759 HydrophobicContact CD1-CB 4.16Å; F540-V759 HydrophobicContact CD1-CG1 4.46Å; F540-V759 WeakPolarHBondContact CD1-O 3.48Å; F540-V759 HydrophobicContact CD2-CB 4.47Å; F540-V759 HydrophobicContact CE1-CB 3.75Å; F540-V759 HydrophobicContact CE1-CG1 3.61Å; F540-V759 HydrophobicContact CE2-CB 4.08Å; F540-V759 HydrophobicContact CE2-CG1 4.34Å; F540-V759 HydrophobicContact CZ-CB 3.7Å; F540-V759 HydrophobicContact CZ-CG1 3.53Å; F540-V759 PolarHBondContact N-O 2.94Å; F540-V759 PolarHBondContact O-N 2.86Å; F540-G760 WeakPolarHBondContact CE1-O 3.49Å; F540-C773 WeakPolarHBondContact CD1-SG 3.28Å; F540-N774 VanDerWaalsContact CB-O 3.29Å; F540-N774 WeakPolarHBondContact CB-O 3.02Å; F540-G777 VanDerWaalsContact CD2-C 3.48Å; F540-G778 VanDerWaalsContact CD1-CA 3.48Å
541C82.4Confident84.1Confident3 Ų335 Ų352%0.0219%0.185CC..BIsolated β-bridgetrans-84.3120.4168-154.50000109.2C748 P775 G777C541-C748 HydrophobicContact CB-CB 3.76Å; C541-C748 WeakPolarHBondContact CB-SG 3.24Å; C541-C748 VanDerWaalsContact SG-C 3.52Å; C541-C748 WeakPolarHBondContact SG-CA 3.45Å; C541-C748 WeakPolarHBondContact SG-CB 3.15Å; C541-C748 PolarHBondContact SG-O 2.66Å; C541-C748 CovalentContact SG-SG 2.03Å; C541-C748 PolarHBondContact SG-SG 3.21Å; C541-P775 PolarHBondContact N-O 2.94Å; C541-G777 PolarHBondContact O-N 2.79Å
542A79.3Confident84.1Confident4 Ų432.7 Ų32.73%0.03318%0.178CC..PPolyproline II helixtrans-56.9153.5-178.800000112.4F540 F546 A751 V755 V759F540-A542 HydrophobicContact CE2-CB 4.47Å; A542-F546 HydrophobicContact CB-CB 3.93Å; A542-F546 HydrophobicContact CB-CD1 3.85Å; A542-F546 HydrophobicContact CB-CD2 4.49Å; A542-F546 HydrophobicContact CB-CG 3.82Å; A542-A751 HydrophobicContact CB-CB 4.1Å; A542-A751 WeakPolarHBondContact O-CB 3.13Å; A542-V755 HydrophobicContact CB-CG2 4.16Å; A542-V759 HydrophobicContact CB-CG2 4.22Å
543N77.7Confident84.1Confident23 Ų2340.1 Ų40.112%0.12321%0.213CC..PPolyproline II helixtrans-92170.2168.7-163.519000110.5D545 F546N543-D545 VanDerWaalsContact C-N 3.28Å; N543-D545 WeakPolarHBondContact CB-OD1 3.45Å; N543-D545 PolarHBondContact ND2-OD1 2.79Å; N543-D545 PolarHBondContact O-N 3.2Å; N543-F546 WeakPolarHBondContact O-CB 3.04Å; N543-F546 PolarHBondContact O-N 3.38Å
544L79Confident84.4Confident4 Ų437.8 Ų37.82%0.02120%0.201CC..THydrogen-bonded Turntrans-62.2-33.7178.9-116.689.5000113.6F546 L698 Y721 R727 A730 M731 L747 V750L544-F546 VanDerWaalsContact C-N 3.31Å; L544-L698 HydrophobicContact CB-CD2 4.42Å; L544-L698 VanDerWaalsContact O-CD2 3.23Å; L544-L698 WeakPolarHBondContact O-CD2 3.1Å; L544-Y721 VanDerWaalsContact CD1-OH 3.29Å; L544-Y721 WeakPolarHBondContact CD1-OH 3.08Å; L544-Y721 VanDerWaalsContact CD2-OH 3.28Å; L544-Y721 WeakPolarHBondContact CD2-OH 3.48Å; L544-R727 HydrophobicContact CD2-CG 4.41Å; L544-A730 HydrophobicContact CB-CB 4.44Å; L544-M731 HydrophobicContact CB-CE 4.11Å; L544-L747 HydrophobicContact CD1-CD2 3.65Å; L544-V750 HydrophobicContact CD1-CG1 3.8Å
545D80.6Confident84.7Confident19 Ų1936.8 Ų36.810%0.10220%0.2CC..THydrogen-bonded Turntrans-89.716178.260.2-20.2000113.9N543 L547 T548 R607 V696 M731N543-D545 VanDerWaalsContact C-N 3.28Å; N543-D545 WeakPolarHBondContact CB-OD1 3.45Å; N543-D545 PolarHBondContact ND2-OD1 2.79Å; N543-D545 PolarHBondContact O-N 3.2Å; D545-L547 PolarHBondContact O-N 2.84Å; D545-T548 PolarHBondContact O-N 2.03Å; D545-T548 PolarHBondContact O-OG1 2.85Å; D545-R607 IonicContact OD2-CZ 2.67Å; D545-R607 IonicContact OD2-NH1 3.5Å; D545-R607 IonicContact OD2-NH2 2.72Å; D545-R607 PolarHBondContact OD2-NH2 3.3Å; D545-V696 HydrophobicContact CB-CG1 3.72Å; D545-M731 HydrophobicContact CB-CE 3.67Å; D545-M731 HydrophobicContact CB-SD 4.26Å
546F82.6Confident85Confident40 Ų4038.2 Ų38.218%0.17521%0.206CC..  trans-56.7-24.4-177.4176.8-119.3000114.2F540 A542 N543 L544 T548 Y597 V759F540-F546 HydrophobicContact CE2-CD2 4.15Å; F540-F546 HydrophobicContact CE2-CE2 4.05Å; F540-F546 HydrophobicContact CZ-CD2 4.22Å; F540-F546 AromaticContact CZ-CE2 3.67Å; F540-F546 HydrophobicContact CZ-CE2 3.67Å; F540-F546 HydrophobicContact CZ-CZ 4.23Å; A542-F546 HydrophobicContact CB-CB 3.93Å; A542-F546 HydrophobicContact CB-CD1 3.85Å; A542-F546 HydrophobicContact CB-CD2 4.49Å; A542-F546 HydrophobicContact CB-CG 3.82Å; N543-F546 WeakPolarHBondContact O-CB 3.04Å; N543-F546 PolarHBondContact O-N 3.38Å; L544-F546 VanDerWaalsContact C-N 3.31Å; F546-T548 VanDerWaalsContact C-N 3.34Å; F546-T548 PolarHBondContact O-N 3.45Å; F546-Y597 HydrophobicContact CD1-CE2 4.35Å; F546-Y597 AromaticContact CE1-CE2 3.75Å; F546-Y597 HydrophobicContact CE1-CE2 3.75Å; F546-Y597 AromaticContact CE1-CZ 3.94Å; F546-Y597 WeakPolarHBondContact CE1-OH 3.41Å; F546-V759 HydrophobicContact CE1-CG1 4.29Å; F546-V759 HydrophobicContact CE1-CG2 4.19Å; F546-V759 HydrophobicContact CE2-CG1 4.39Å; F546-V759 HydrophobicContact CZ-CG1 3.72Å; F546-V759 HydrophobicContact CZ-CG2 4.38Å
547L85.3Confident85.2Confident4 Ų440.5 Ų40.52%0.02122%0.215CC..SBendtrans-91.361.2172.2-58.2179.9000111.8D545 Y549 N595 I596 Y597 F602 V696 L697D545-L547 PolarHBondContact O-N 2.84Å; L547-Y549 HydrophobicContact CB-CE2 4.5Å; L547-Y549 WeakPolarHBondContact O-CE2 3.43Å; L547-N595 WeakPolarHBondContact CD2-ND2 3.47Å; L547-N595 VanDerWaalsContact CD2-O 3.27Å; L547-N595 WeakPolarHBondContact CD2-O 3.17Å; L547-I596 HydrophobicContact CD1-CD1 4.09Å; L547-Y597 HydrophobicContact CD2-CE2 4.29Å; L547-F602 HydrophobicContact CD1-CD1 4.28Å; L547-F602 HydrophobicContact CD1-CE1 3.6Å; L547-F602 HydrophobicContact CD1-CZ 4.23Å; L547-V696 WeakPolarHBondContact O-CA 3.31Å; L547-L697 HydrophobicContact CB-CB 3.9Å; L547-L697 HydrophobicContact CD1-CB 4.16Å; L547-L697 PolarHBondContact O-N 2.93Å
548T87.4Confident85.3Confident37 Ų3737.5 Ų37.523%0.22720%0.203CC..EExtended strand (participates in β ladder)trans-97.1142.8175.1-660000111.2D545 F546 L695 V696D545-T548 PolarHBondContact O-N 2.03Å; D545-T548 PolarHBondContact O-OG1 2.85Å; F546-T548 VanDerWaalsContact C-N 3.34Å; F546-T548 PolarHBondContact O-N 3.45Å; T548-L695 CarbonylContact C-O 3.45Å; T548-L695 WeakPolarHBondContact CA-O 3.05Å; T548-V696 HydrophobicContact CG2-CG2 4.18Å; T548-V696 WeakPolarHBondContact OG1-CG2 3.36Å
549Y90.3Very high85.5Confident26 Ų2639.5 Ų39.510%0.10221%0.212CC..EExtended strand (participates in β ladder)trans-132.6118.6176.6-53.2-90.7000109.8L547 F591 V593 N595 S694 L695 L697L547-Y549 HydrophobicContact CB-CE2 4.5Å; L547-Y549 WeakPolarHBondContact O-CE2 3.43Å; Y549-F591 WeakPolarHBondContact O-CE1 3.14Å; Y549-V593 HydrophobicContact CD2-CG2 4.24Å; Y549-V593 HydrophobicContact CE1-CB 4.46Å; Y549-V593 HydrophobicContact CE1-CG2 4.16Å; Y549-V593 HydrophobicContact CE2-CG2 3.82Å; Y549-N595 PolarHBondContact OH-OD1 2.87Å; Y549-S694 CarbonylContact O-C 3.55Å; Y549-S694 VanDerWaalsContact O-CA 3.27Å; Y549-S694 WeakPolarHBondContact O-CA 3.08Å; Y549-S694 WeakPolarHBondContact O-CB 3.47Å; Y549-L695 HydrophobicContact CD2-CD2 4.09Å; Y549-L695 WeakPolarHBondContact CD2-O 3.41Å; Y549-L695 PolarHBondContact N-O 2.03Å; Y549-L695 PolarHBondContact O-N 2.85Å; Y549-L697 HydrophobicContact CE2-CD1 3.9Å; Y549-L697 HydrophobicContact CE2-CG 4.17Å
550E88.3Confident85.4Confident38 Ų3836.9 Ų36.918%0.17821%0.205CC..EExtended strand (participates in β ladder)trans-72.1146.3-175-46.8-66.2-160.400112.2E552 E553 T576 G577 S694E550-E552 HydrophobicContact CB-CG 4.14Å; E550-E553 HydrophobicContact CB-CG 4.35Å; E550-E553 PolarHBondContact O-N 3.35Å; E550-T576 WeakPolarHBondContact OE1-CB 3.27Å; E550-T576 PolarHBondContact OE1-OG1 3.29Å; E550-T576 VanDerWaalsContact OE2-CB 3.28Å; E550-T576 WeakPolarHBondContact OE2-CB 3.18Å; E550-T576 PolarHBondContact OE2-OG1 3.25Å; E550-G577 PolarHBondContact OE1-N 3.3Å; E550-S694 WeakPolarHBondContact OE2-CB 3.39Å
551A91.3Very high85.4Confident0 Ų042.2 Ų42.20%023%0.23CC..G310 helixtrans-69.9-34-176.600000112.7E553 A554 V581 L589 F591 I692 D693A551-E553 PolarHBondContact O-N 3.38Å; A551-A554 WeakPolarHBondContact O-CB 3.45Å; A551-A554 PolarHBondContact O-N 3.48Å; A551-V581 HydrophobicContact CB-CB 4.04Å; A551-V581 HydrophobicContact CB-CG2 3.77Å; A551-V581 WeakPolarHBondContact O-CG2 3.26Å; A551-L589 HydrophobicContact CB-CD1 4.35Å; A551-F591 HydrophobicContact CB-CZ 4.35Å; A551-I692 HydrophobicContact CB-CB 4.16Å; A551-I692 HydrophobicContact CB-CG2 4Å; A551-I692 WeakPolarHBondContact CB-O 3.18Å; A551-D693 WeakPolarHBondContact CB-O 3.19Å; A551-D693 PolarHBondContact N-O 2.78Å
552E87Confident85.5Confident27 Ų2746 Ų4613%0.12625%0.249CC..G310 helixtrans-65.7-22.217751.7-97.2-120.900113.6E550 I562 P578 G579 V581E550-E552 HydrophobicContact CB-CG 4.14Å; E552-I562 HydrophobicContact CB-CG2 4.42Å; E552-P578 HydrophobicContact CG-CG 3.99Å; E552-P578 WeakPolarHBondContact OE1-CD 3.08Å; E552-P578 VanDerWaalsContact OE1-CG 3.28Å; E552-P578 WeakPolarHBondContact OE1-CG 3.02Å; E552-P578 VanDerWaalsContact OE1-N 3.14Å; E552-G579 PolarHBondContact OE1-N 3.13Å; E552-G579 VanDerWaalsContact OE1-N 3.09Å; E552-V581 HydrophobicContact CB-CG2 4.39Å
553E87.2Confident85.7Confident155 Ų15547.7 Ų47.772%0.72426%0.256SS*.G310 helixtrans-86.6-14.7172.5-62-169170.700112.8E550 A551E550-E553 HydrophobicContact CB-CG 4.35Å; E550-E553 PolarHBondContact O-N 3.35Å; A551-E553 PolarHBondContact O-N 3.38Å
554A88.5Confident85.7Confident7 Ų750.9 Ų50.96%0.05827%0.273CS..SBendtrans-67.2146.2177.500000111A551 L556 L589 F591A551-A554 WeakPolarHBondContact O-CB 3.45Å; A551-A554 PolarHBondContact O-N 3.48Å; A554-L556 HydrophobicContact CB-CD2 4.5Å; A554-L556 VanDerWaalsContact O-CD2 3.31Å; A554-L556 WeakPolarHBondContact O-CD2 3.43Å; A554-L556 WeakPolarHBondContact O-CG 3.3Å; A554-L556 PolarHBondContact O-N 3.02Å; A554-L589 HydrophobicContact CB-CB 4.11Å; A554-F591 HydrophobicContact CB-CD1 3.98Å; A554-F591 HydrophobicContact CB-CD2 4.45Å; A554-F591 HydrophobicContact CB-CE1 3.97Å; A554-F591 HydrophobicContact CB-CE2 4.42Å; A554-F591 HydrophobicContact CB-CG 4.24Å; A554-F591 HydrophobicContact CB-CZ 4.19Å
555N89.2Confident85.5Confident94 Ų9456 Ų5650%0.50329%0.292SS..  trans-72.1102.4175.7-177.7-11.8000109.7N590N555-N590 HydrophobicContact CB-CB 4.28Å; N555-N590 PolarHBondContact N-O 3.03Å; N555-N590 PolarHBondContact O-N 3.08Å
556L89.5Confident85Confident53 Ų5358.4 Ų58.428%0.27730%0.303SS..  trans-74.3126.3-173.6-52.6-170.7000112A554 I562 V581 L589A554-L556 HydrophobicContact CB-CD2 4.5Å; A554-L556 VanDerWaalsContact O-CD2 3.31Å; A554-L556 WeakPolarHBondContact O-CD2 3.43Å; A554-L556 WeakPolarHBondContact O-CG 3.3Å; A554-L556 PolarHBondContact O-N 3.02Å; L556-I562 HydrophobicContact CD1-CD1 4.19Å; L556-I562 HydrophobicContact CD1-CG1 3.78Å; L556-V581 HydrophobicContact CD1-CG1 4.34Å; L556-V581 HydrophobicContact CD1-CG2 4.39Å; L556-V581 HydrophobicContact CD2-CG1 3.98Å; L556-V581 HydrophobicContact CD2-CG2 3.97Å; L556-L589 HydrophobicContact CD2-CD2 3.38Å
557Q86.6Confident84.1Confident92 Ų9259.5 Ų59.543%0.4331%0.314SS..BIsolated β-bridgetrans-131.3139.8175.5-61.81794.400110.8S587 V588Q557-S587 CarbonylContact O-C 3.58Å; Q557-S587 WeakPolarHBondContact O-CA 3.3Å; Q557-V588 HydrophobicContact CB-CB 4.18Å; Q557-V588 PolarHBondContact N-O 2.88Å; Q557-V588 PolarHBondContact O-N 3.1Å
558G83.6Confident83Confident56 Ų5668.5 Ų68.558%0.57735%0.349SS*.SBendtrans85-162-176.800000113.4S560G558-S560 PolarHBondContact O-N 2.96Å
559P84.9Confident81.3Confident65 Ų6574.9 Ų74.942%0.42238%0.382SS..SBendtrans-80.360.1-171.932.9-36.3000113.3R584 E585 S587P559-R584 HydrophobicContact CB-CB 4.26Å; P559-R584 HydrophobicContact CG-CB 4.04Å; P559-R584 WeakPolarHBondContact O-CB 3.31Å; P559-R584 VanDerWaalsContact O-CG 3.3Å; P559-R584 WeakPolarHBondContact O-CG 3.42Å; P559-E585 WeakPolarHBondContact CG-O 3.21Å; P559-S587 VanDerWaalsContact C-OG 3.3Å; P559-S587 PolarHBondContact O-OG 2.95Å
560S85.7Confident79.5Confident25 Ų2577.4 Ų77.418%0.17542%0.416CS..  trans-110147.117743.20000112.5G558 R582 S587G558-S560 PolarHBondContact O-N 2.96Å; S560-R582 VanDerWaalsContact CA-O 3.29Å; S560-R582 WeakPolarHBondContact CA-O 3.23Å; S560-S587 PolarHBondContact N-OG 3.04Å
561E86.5Confident77.8Confident114 Ų11480.4 Ų80.453%0.53343%0.433SS..EExtended strand (participates in β ladder)trans-136.1139.4-176.9-176170.3-163.600110.1R582 R584E561-R582 PolarHBondContact N-O 3.42Å; E561-R582 PolarHBondContact O-N 3.08Å; E561-R584 IonicContact OE2-NH2 3.33Å
562I85.5Confident76.2Confident83 Ų8384.2 Ų84.243%0.42646%0.456SS..EExtended strand (participates in β ladder)trans-81.1125175.9-60.5175.1000108.3E552 L556 L564E552-I562 HydrophobicContact CB-CG2 4.42Å; L556-I562 HydrophobicContact CD1-CD1 4.19Å; L556-I562 HydrophobicContact CD1-CG1 3.78Å; I562-L564 HydrophobicContact CG2-CD2 4.19Å; I562-L564 HydrophobicContact CG2-CG 4.5Å
563E82.6Confident74.9Confident40 Ų4090.3 Ų90.319%0.18748%0.482CS..EExtended strand (participates in β ladder)trans-110.894-179.6-173.9165.5137.500110.4R565 G579 F580 R582E563-R565 IonicContact OE1-CZ 2.7Å; E563-R565 IonicContact OE1-NE 3.08Å; E563-R565 PolarHBondContact OE1-NE 2.78Å; E563-R565 IonicContact OE1-NH2 2.96Å; E563-R565 PolarHBondContact OE1-NH2 2.03Å; E563-G579 WeakPolarHBondContact O-CA 3.39Å; E563-F580 PolarHBondContact N-O 2.77Å; E563-F580 PolarHBondContact O-N 2.75Å; E563-F580 VanDerWaalsContact O-N 3.13Å; E563-R582 VanDerWaalsContact CD-NH2 3.33Å; E563-R582 IonicContact OE1-NH2 2.63Å; E563-R582 PolarHBondContact OE1-NH2 3.14Å; E563-R582 IonicContact OE2-CZ 3.52Å; E563-R582 IonicContact OE2-NE 3.53Å; E563-R582 PolarHBondContact OE2-NE 2.91Å; E563-R582 IonicContact OE2-NH2 3.09Å; E563-R582 PolarHBondContact OE2-NH2 2.83Å
564L78.2Confident74.1Confident90 Ų9088.4 Ų88.447%0.47147%0.468SS..EExtended strand (participates in β ladder)trans-66.6138.2176.5-64.9178.6000111.2I562 P578I562-L564 HydrophobicContact CG2-CD2 4.19Å; I562-L564 HydrophobicContact CG2-CG 4.5Å; L564-P578 HydrophobicContact CD2-CB 4.2Å
565R75Confident73.5Confident110 Ų11090.9 Ų90.942%0.41548%0.476SS..  trans-121.2131.2176.9-68.9-66.2-179141.8-6.8110.8E563 W575 P578 F580 S796E563-R565 IonicContact OE1-CZ 2.7Å; E563-R565 IonicContact OE1-NE 3.08Å; E563-R565 PolarHBondContact OE1-NE 2.78Å; E563-R565 IonicContact OE1-NH2 2.96Å; E563-R565 PolarHBondContact OE1-NH2 2.03Å; R565-W575 HydrophobicContact CB-CH2 4.19Å; R565-W575 HydrophobicContact CB-CZ2 3.7Å; R565-P578 PolarHBondContact N-O 2.85Å; R565-F580 HydrophobicContact CG-CD2 4.33Å; R565-F580 HydrophobicContact CG-CE2 4.5Å; R565-S796 WeakPolarHBondContact O-CB 3.05Å; R565-S796 PolarHBondContact O-OG 3.49Å
566E69.7Low73Confident71 Ų7187.7 Ų87.733%0.33246%0.46SS..  trans-68.7126.2167.4-66.3-177.315600108.4Y568 N819 F820E566-Y568 PolarHBondContact O-N 3.17Å; E566-N819 PolarHBondContact OE1-ND2 3.48Å; E566-F820 HydrophobicContact CG-CE1 4.25Å
567P63.5Low72.2Confident62 Ų6286.5 Ų86.540%0.40346%0.46SS..  trans-72.1110.7175.528-31.9000109.9A795P567-A795 HydrophobicContact CG-CB 3.68Å
568Y62.4Low71.6Confident194 Ų19483.1 Ų83.176%0.76145%0.446SS*.  trans-79.2134.4174.4-115-99.9000111E566E566-Y568 PolarHBondContact O-N 3.17Å
569D50.8Low71.4Confident171 Ų17180.4 Ų80.491%0.91442%0.419SS*.THydrogen-bonded Turntrans-77.8127.2176.9-153.41.4000110.3
570G53.9Low71.6Confident79 Ų7977.6 Ų77.681%0.81440%0.4SS*.THydrogen-bonded Turntrans104.7-5.2175.600000118.8
571D52.1Low71.8Confident100 Ų10076.4 Ų76.454%0.53539%0.391SS..SBendtrans-106.1148.2172-155.5-8000110.8K573 R574D571-K573 PolarHBondContact O-N 2.78Å; D571-R574 IonicContact OD1-NH2 2.56Å; D571-R574 PolarHBondContact OD1-NH2 3.34Å; D571-R574 IonicContact OD2-CZ 3.75Å; D571-R574 IonicContact OD2-NH2 2.91Å; D571-R574 PolarHBondContact OD2-NH2 2.67Å
572T57.2Low71.9Confident80 Ų8073.5 Ų73.549%0.49138%0.376SS..  trans-66.4118.3-179.342.50000110R574T572-R574 WeakPolarHBondContact O-CG 3.34Å; T572-R574 PolarHBondContact O-N 3.29Å
573K60Low72.1Confident155 Ų15569.5 Ų69.567%0.67436%0.355SS*.  trans-47.9122.9177.9-76.4-171176.6-175.90110.3D571D571-K573 PolarHBondContact O-N 2.78Å
574R70.1Confident72.3Confident116 Ų11671.8 Ų71.844%0.43836%0.362SS..  trans-105.4-5.5-174.8-52.9-173.4-178.5172.49.9113.7D571 T572D571-R574 IonicContact OD1-NH2 2.56Å; D571-R574 PolarHBondContact OD1-NH2 3.34Å; D571-R574 IonicContact OD2-CZ 3.75Å; D571-R574 IonicContact OD2-NH2 2.91Å; D571-R574 PolarHBondContact OD2-NH2 2.67Å; T572-R574 WeakPolarHBondContact O-CG 3.34Å; T572-R574 PolarHBondContact O-N 3.29Å
575W77.6Confident72.6Confident58 Ų5869.4 Ų69.422%0.2235%0.349CS..  trans-140.5157-175.371.996.7000109.8R565 G577 F580 D693R565-W575 HydrophobicContact CB-CH2 4.19Å; R565-W575 HydrophobicContact CB-CZ2 3.7Å; W575-G577 PolarHBondContact NE1-O 2.71Å; W575-F580 HydrophobicContact CB-CE1 3.86Å; W575-F580 HydrophobicContact CB-CE2 3.92Å; W575-F580 HydrophobicContact CB-CZ 3.53Å; W575-F580 HydrophobicContact CD2-CE2 4.2Å; W575-F580 HydrophobicContact CE3-CE2 4.3Å; W575-F580 HydrophobicContact CG-CE2 4.04Å; W575-F580 HydrophobicContact CG-CZ 4.15Å; W575-D693 WeakPolarHBondContact CA-OD1 3.39Å; W575-D693 WeakPolarHBondContact CB-OD1 3.05Å
576T76.9Confident73.1Confident28 Ų2866.2 Ų66.217%0.17235%0.35CS..SBendtrans-102160.5168.752.70000108.9E550 D693 S694 L733E550-T576 WeakPolarHBondContact OE1-CB 3.27Å; E550-T576 PolarHBondContact OE1-OG1 3.29Å; E550-T576 VanDerWaalsContact OE2-CB 3.28Å; E550-T576 WeakPolarHBondContact OE2-CB 3.18Å; E550-T576 PolarHBondContact OE2-OG1 3.25Å; T576-D693 PolarHBondContact N-OD1 2.85Å; T576-D693 PolarHBondContact OG1-OD2 2.9Å; T576-S694 PolarHBondContact OG1-OG 2.86Å; T576-L733 HydrophobicContact CG2-CD1 3.96Å; T576-L733 HydrophobicContact CG2-CD2 3.92Å
577G73.1Confident74.1Confident27 Ų2762.8 Ų62.828%0.27833%0.334SS..SBendtrans69.4-174.8-174.600000117.6E550 W575 G579E550-G577 PolarHBondContact OE1-N 3.3Å; W575-G577 PolarHBondContact NE1-O 2.71Å; G577-G579 VanDerWaalsContact C-N 3.32Å; G577-G579 PolarHBondContact O-N 3.48Å
578P74.2Confident75.5Confident21 Ų2160.6 Ų60.614%0.13632%0.319CS..SBendtrans-69.4-10.8176.725.5-36.4000116.8E552 L564 R565 I787E552-P578 HydrophobicContact CG-CG 3.99Å; E552-P578 WeakPolarHBondContact OE1-CD 3.08Å; E552-P578 VanDerWaalsContact OE1-CG 3.28Å; E552-P578 WeakPolarHBondContact OE1-CG 3.02Å; E552-P578 VanDerWaalsContact OE1-N 3.14Å; L564-P578 HydrophobicContact CD2-CB 4.2Å; R565-P578 PolarHBondContact N-O 2.85Å; P578-I787 HydrophobicContact CB-CD1 4Å
579G79.6Confident77Confident0 Ų051.3 Ų51.30%028%0.283CS..EExtended strand (participates in β ladder)trans177.9-129.1177.400000114.8E552 E563 G577E552-G579 PolarHBondContact OE1-N 3.13Å; E552-G579 VanDerWaalsContact OE1-N 3.09Å; E563-G579 WeakPolarHBondContact O-CA 3.39Å; G577-G579 VanDerWaalsContact C-N 3.32Å; G577-G579 PolarHBondContact O-N 3.48Å
580F88.3Confident79.1Confident5 Ų544.6 Ų44.62%0.02225%0.247CC..EExtended strand (participates in β ladder)trans-141.8162.6175.7-63.8-93.9000110.1E563 R565 W575 E609 L691 I692 D693E563-F580 PolarHBondContact N-O 2.77Å; E563-F580 PolarHBondContact O-N 2.75Å; E563-F580 VanDerWaalsContact O-N 3.13Å; R565-F580 HydrophobicContact CG-CD2 4.33Å; R565-F580 HydrophobicContact CG-CE2 4.5Å; W575-F580 HydrophobicContact CB-CE1 3.86Å; W575-F580 HydrophobicContact CB-CE2 3.92Å; W575-F580 HydrophobicContact CB-CZ 3.53Å; W575-F580 HydrophobicContact CD2-CE2 4.2Å; W575-F580 HydrophobicContact CE3-CE2 4.3Å; W575-F580 HydrophobicContact CG-CE2 4.04Å; W575-F580 HydrophobicContact CG-CZ 4.15Å; F580-E609 HydrophobicContact CE1-CB 4.33Å; F580-E609 HydrophobicContact CE1-CG 4.02Å; F580-E609 HydrophobicContact CZ-CG 4.1Å; F580-L691 HydrophobicContact CB-CB 3.89Å; F580-L691 HydrophobicContact CB-CD1 4.49Å; F580-L691 HydrophobicContact CB-CD2 4.16Å; F580-L691 HydrophobicContact CB-CG 4.4Å; F580-L691 HydrophobicContact CD1-CB 3.74Å; F580-L691 HydrophobicContact CD2-CD1 4.1Å; F580-L691 HydrophobicContact CE1-CB 4.33Å; F580-L691 HydrophobicContact CE2-CD1 4.4Å; F580-L691 HydrophobicContact CG-CB 3.85Å; F580-L691 HydrophobicContact CG-CD1 4.19Å; F580-L691 HydrophobicContact CG-CG 4.47Å; F580-I692 WeakPolarHBondContact CA-O 3.33Å; F580-D693 HydrophobicContact CD1-CB 3.98Å; F580-D693 HydrophobicContact CE1-CB 3.95Å
581V90.5Very high80.9Confident0 Ų041 Ų410%021%0.208CC..EExtended strand (participates in β ladder)trans-97.2118.5160.4179.10000110.5A551 E552 L556 V583 L589 I692A551-V581 HydrophobicContact CB-CB 4.04Å; A551-V581 HydrophobicContact CB-CG2 3.77Å; A551-V581 WeakPolarHBondContact O-CG2 3.26Å; E552-V581 HydrophobicContact CB-CG2 4.39Å; L556-V581 HydrophobicContact CD1-CG1 4.34Å; L556-V581 HydrophobicContact CD1-CG2 4.39Å; L556-V581 HydrophobicContact CD2-CG1 3.98Å; L556-V581 HydrophobicContact CD2-CG2 3.97Å; V581-V583 HydrophobicContact CG1-CG1 4.05Å; V581-V583 PolarHBondContact O-N 2.61Å; V581-L589 HydrophobicContact CB-CD2 4.49Å; V581-L589 HydrophobicContact CG1-CD2 3.88Å; V581-I692 PolarHBondContact N-O 3.41Å; V581-I692 PolarHBondContact O-N 2.85Å
582R89.5Confident82.8Confident53 Ų5338.7 Ų38.720%0.220%0.198CC..EExtended strand (participates in β ladder)trans-76102.4169.1-175.4175.7-69.5-84.7-2.2109.4S560 E561 E563 S689 M690 L691S560-R582 VanDerWaalsContact CA-O 3.29Å; S560-R582 WeakPolarHBondContact CA-O 3.23Å; E561-R582 PolarHBondContact N-O 3.42Å; E561-R582 PolarHBondContact O-N 3.08Å; E563-R582 VanDerWaalsContact CD-NH2 3.33Å; E563-R582 IonicContact OE1-NH2 2.63Å; E563-R582 PolarHBondContact OE1-NH2 3.14Å; E563-R582 IonicContact OE2-CZ 3.52Å; E563-R582 IonicContact OE2-NE 3.53Å; E563-R582 PolarHBondContact OE2-NE 2.91Å; E563-R582 IonicContact OE2-NH2 3.09Å; E563-R582 PolarHBondContact OE2-NH2 2.83Å; R582-S689 PolarHBondContact NH1-OG 2.73Å; R582-M690 CarbonylContact C-O 3.52Å; R582-M690 WeakPolarHBondContact CA-O 3.19Å; R582-L691 HydrophobicContact CB-CD2 3.8Å; R582-L691 HydrophobicContact CG-CD2 4.18Å
583V89.6Confident84.2Confident0 Ų034.9 Ų34.90%018%0.175CC..EExtended strand (participates in β ladder)trans-87.9147.7173.7-62.90000111.2V581 L589 F676 S689 M690 I692V581-V583 HydrophobicContact CG1-CG1 4.05Å; V581-V583 PolarHBondContact O-N 2.61Å; V583-L589 HydrophobicContact CG1-CD1 4.08Å; V583-L589 HydrophobicContact CG1-CD2 4.06Å; V583-L589 HydrophobicContact CG1-CG 4.18Å; V583-F676 HydrophobicContact CB-CD2 4.17Å; V583-F676 HydrophobicContact CB-CG 4.22Å; V583-F676 HydrophobicContact CG1-CD2 4.01Å; V583-F676 HydrophobicContact CG1-CE2 4Å; V583-F676 HydrophobicContact CG2-CD1 3.87Å; V583-F676 HydrophobicContact CG2-CD2 4.24Å; V583-F676 HydrophobicContact CG2-CE1 4.05Å; V583-F676 HydrophobicContact CG2-CE2 4.41Å; V583-F676 HydrophobicContact CG2-CG 3.98Å; V583-F676 HydrophobicContact CG2-CZ 4.32Å; V583-S689 WeakPolarHBondContact O-CA 3.49Å; V583-S689 WeakPolarHBondContact O-CB 3.15Å; V583-M690 HydrophobicContact CG2-CB 3.93Å; V583-M690 WeakPolarHBondContact CG2-O 3.39Å; V583-M690 PolarHBondContact N-O 3.36Å; V583-M690 PolarHBondContact O-N 2.86Å; V583-I692 HydrophobicContact CB-CG1 4.49Å; V583-I692 HydrophobicContact CG1-CG1 3.85Å; V583-I692 HydrophobicContact CG2-CD1 4.1Å; V583-I692 HydrophobicContact CG2-CG1 3.78Å
584R87Confident85.5Confident88 Ų8835.2 Ų35.233%0.33217%0.172SC..EExtended strand (participates in β ladder)trans-125.2178.3171.8-55.2-174.1-164-145.87.4109.8P559 E561 G586 S587 R686P559-R584 HydrophobicContact CB-CB 4.26Å; P559-R584 HydrophobicContact CG-CB 4.04Å; P559-R584 WeakPolarHBondContact O-CB 3.31Å; P559-R584 VanDerWaalsContact O-CG 3.3Å; P559-R584 WeakPolarHBondContact O-CG 3.42Å; E561-R584 IonicContact OE2-NH2 3.33Å; R584-G586 PolarHBondContact O-N 3.05Å; R584-S587 PolarHBondContact N-OG 3.37Å; R584-S587 VanDerWaalsContact O-CB 3.28Å; R584-S587 WeakPolarHBondContact O-CB 3.38Å; R584-S587 PolarHBondContact O-N 2.88Å; R584-S587 PolarHBondContact O-OG 3.03Å; R584-R686 PolarHBondContact NH1-O 2.78Å
585E84.5Confident86.2Confident40 Ų4032.8 Ų32.819%0.18717%0.168CC..THydrogen-bonded Turntrans-54.6124.7174.1-65.1-169.8126.800111.5P559 W616 Y679 S684 D685P559-E585 WeakPolarHBondContact CG-O 3.21Å; E585-W616 HydrophobicContact CG-CH2 4.3Å; E585-W616 HydrophobicContact CG-CZ2 4.14Å; E585-Y679 WeakPolarHBondContact OE1-CB 3.21Å; E585-Y679 PolarHBondContact OE1-N 3.34Å; E585-S684 WeakPolarHBondContact OE2-CA 3.45Å; E585-S684 PolarHBondContact OE2-OG 3.04Å; E585-S684 VanDerWaalsContact OE2-OG 3.12Å; E585-D685 PolarHBondContact OE2-N 3.38Å
586G85.7Confident86.6Confident42 Ų4230.5 Ų30.543%0.43316%0.16SC..THydrogen-bonded Turntrans87.91.6-176.900000115.3R584 F676R584-G586 PolarHBondContact O-N 3.05Å; G586-F676 PolarHBondContact N-O 2.94Å
587S90.7Very high87Confident0 Ų033.1 Ų33.10%017%0.167CC..EExtended strand (participates in β ladder)trans-67.6146.5170.8-71.20000111.9Q557 P559 S560 R584 F676Q557-S587 CarbonylContact O-C 3.58Å; Q557-S587 WeakPolarHBondContact O-CA 3.3Å; P559-S587 VanDerWaalsContact C-OG 3.3Å; P559-S587 PolarHBondContact O-OG 2.95Å; S560-S587 PolarHBondContact N-OG 3.04Å; R584-S587 PolarHBondContact N-OG 3.37Å; R584-S587 VanDerWaalsContact O-CB 3.28Å; R584-S587 WeakPolarHBondContact O-CB 3.38Å; R584-S587 PolarHBondContact O-N 2.88Å; R584-S587 PolarHBondContact O-OG 3.03Å; S587-F676 PolarHBondContact O-N 3.25Å
588V92.6Very high87.4Confident15 Ų1534.9 Ų34.99%0.09117%0.169CC..EExtended strand (participates in β ladder)trans-137.6128175178.10000108.5Q557 R673 V674 A675Q557-V588 HydrophobicContact CB-CB 4.18Å; Q557-V588 PolarHBondContact N-O 2.88Å; Q557-V588 PolarHBondContact O-N 3.1Å; V588-R673 HydrophobicContact CG1-CG 3.61Å; V588-V674 CarbonylContact C-O 3.48Å; V588-V674 VanDerWaalsContact CA-O 3.31Å; V588-V674 WeakPolarHBondContact CA-O 3.46Å; V588-A675 HydrophobicContact CG2-CB 3.94Å
589L93.7Very high88Confident0 Ų035 Ų350%017%0.172CC..EExtended strand (participates in β ladder)trans-105.6137.5172.3-51.8179.9000108.3A551 A554 L556 V581 V583 F591 R673 V674 F676 I692A551-L589 HydrophobicContact CB-CD1 4.35Å; A554-L589 HydrophobicContact CB-CB 4.11Å; L556-L589 HydrophobicContact CD2-CD2 3.38Å; V581-L589 HydrophobicContact CB-CD2 4.49Å; V581-L589 HydrophobicContact CG1-CD2 3.88Å; V583-L589 HydrophobicContact CG1-CD1 4.08Å; V583-L589 HydrophobicContact CG1-CD2 4.06Å; V583-L589 HydrophobicContact CG1-CG 4.18Å; L589-F591 HydrophobicContact CB-CD2 4.42Å; L589-F591 HydrophobicContact CB-CE2 3.75Å; L589-F591 HydrophobicContact CB-CZ 4.28Å; L589-F591 HydrophobicContact CD1-CE2 4.28Å; L589-F591 HydrophobicContact CD1-CZ 4.18Å; L589-R673 CarbonylContact O-C 3.52Å; L589-R673 WeakPolarHBondContact O-CA 3.48Å; L589-V674 HydrophobicContact CB-CB 4.46Å; L589-V674 PolarHBondContact N-O 2.8Å; L589-V674 PolarHBondContact O-N 3.23Å; L589-F676 HydrophobicContact CD1-CE2 3.88Å; L589-F676 HydrophobicContact CD1-CZ 4.37Å; L589-F676 HydrophobicContact CG-CE2 3.95Å; L589-I692 HydrophobicContact CD1-CB 3.92Å; L589-I692 HydrophobicContact CD1-CG1 3.99Å; L589-I692 HydrophobicContact CD1-CG2 3.83Å
590N93.6Very high88.4Confident29 Ų2935.7 Ų35.716%0.15518%0.175CC..EExtended strand (participates in β ladder)trans-126.7103.8178.118025.7000110N555N555-N590 HydrophobicContact CB-CB 4.28Å; N555-N590 PolarHBondContact N-O 3.03Å; N555-N590 PolarHBondContact O-N 3.08Å
591F93Very high88.4Confident3 Ų338.4 Ų38.41%0.01319%0.19CC..EExtended strand (participates in β ladder)trans-86.7142-179.8-61.1-93000110.4Y549 A551 A554 L589 H671 I672 V674 L695Y549-F591 WeakPolarHBondContact O-CE1 3.14Å; A551-F591 HydrophobicContact CB-CZ 4.35Å; A554-F591 HydrophobicContact CB-CD1 3.98Å; A554-F591 HydrophobicContact CB-CD2 4.45Å; A554-F591 HydrophobicContact CB-CE1 3.97Å; A554-F591 HydrophobicContact CB-CE2 4.42Å; A554-F591 HydrophobicContact CB-CG 4.24Å; A554-F591 HydrophobicContact CB-CZ 4.19Å; L589-F591 HydrophobicContact CB-CD2 4.42Å; L589-F591 HydrophobicContact CB-CE2 3.75Å; L589-F591 HydrophobicContact CB-CZ 4.28Å; L589-F591 HydrophobicContact CD1-CE2 4.28Å; L589-F591 HydrophobicContact CD1-CZ 4.18Å; F591-H671 WeakPolarHBondContact O-CA 3.43Å; F591-I672 HydrophobicContact CB-CB 4.49Å; F591-I672 PolarHBondContact N-O 3.09Å; F591-I672 PolarHBondContact O-N 2.79Å; F591-V674 HydrophobicContact CD2-CG2 3.87Å; F591-V674 HydrophobicContact CE2-CB 4.44Å; F591-V674 HydrophobicContact CE2-CG2 3.64Å; F591-L695 HydrophobicContact CD1-CB 3.99Å; F591-L695 HydrophobicContact CD2-CB 4.22Å; F591-L695 HydrophobicContact CD2-CD1 3.82Å; F591-L695 HydrophobicContact CE1-CB 3.89Å; F591-L695 HydrophobicContact CE2-CB 4.14Å; F591-L695 HydrophobicContact CE2-CD1 4.12Å; F591-L695 HydrophobicContact CG-CB 4.15Å; F591-L695 HydrophobicContact CG-CD1 4.25Å; F591-L695 HydrophobicContact CZ-CB 3.97Å
592V90.6Very high88.3Confident53 Ų5338.6 Ų38.632%0.32119%0.19SC..EExtended strand (participates in β ladder)trans-113.2104.8-178-171.50000109.7R594 Q669V592-R594 HydrophobicContact CG1-CG 4.35Å; V592-Q669 HydrophobicContact CG1-CG 3.86Å
593V88.5Confident88.3Confident0 Ų037.3 Ų37.30%019%0.187CC..EExtended strand (participates in β ladder)trans-95.7127.5-175169.50000109.4Y549 I596 Q669 Y670 I672 L697Y549-V593 HydrophobicContact CD2-CG2 4.24Å; Y549-V593 HydrophobicContact CE1-CB 4.46Å; Y549-V593 HydrophobicContact CE1-CG2 4.16Å; Y549-V593 HydrophobicContact CE2-CG2 3.82Å; V593-I596 HydrophobicContact CG1-CD1 4.01Å; V593-I596 HydrophobicContact CG1-CG1 4.23Å; V593-Q669 CarbonylContact O-C 3.56Å; V593-Q669 VanDerWaalsContact O-CA 3.32Å; V593-Q669 WeakPolarHBondContact O-CA 3.48Å; V593-Y670 HydrophobicContact CG1-CD2 4.23Å; V593-Y670 PolarHBondContact N-O 3.41Å; V593-Y670 PolarHBondContact O-N 2.84Å; V593-I672 HydrophobicContact CG2-CD1 3.73Å; V593-I672 HydrophobicContact CG2-CG1 3.99Å; V593-L697 HydrophobicContact CG1-CD1 3.74Å; V593-L697 HydrophobicContact CG2-CD1 4.18Å
594R86.4Confident88.3Confident162 Ų16237.6 Ų37.661%0.61119%0.188SC*.  trans-134.8-20.2-173.9-70.6177.9172.9150.82.4115.6V592 Q669V592-R594 HydrophobicContact CG1-CG 4.35Å; R594-Q669 HydrophobicContact CG-CB 4.33Å; R594-Q669 HydrophobicContact CG-CG 3.93Å; R594-Q669 VanDerWaalsContact NH2-OE1 3.1Å
595N84.5Confident88.4Confident65 Ų6533.4 Ų33.435%0.34817%0.172SC..  trans-112.551.7-162.448.8-53.8000112.7L547 Y549 Y597L547-N595 WeakPolarHBondContact CD2-ND2 3.47Å; L547-N595 VanDerWaalsContact CD2-O 3.27Å; L547-N595 WeakPolarHBondContact CD2-O 3.17Å; Y549-N595 PolarHBondContact OH-OD1 2.87Å; N595-Y597 WeakPolarHBondContact O-CE2 3.08Å
596I86.7Confident88.7Confident10 Ų1031.7 Ų31.75%0.05116%0.164CC..  trans-84.6129.1171.7-54.7-58.1000109.2L547 V593 M598 F602 L664 P666 Y670 L697L547-I596 HydrophobicContact CD1-CD1 4.09Å; V593-I596 HydrophobicContact CG1-CD1 4.01Å; V593-I596 HydrophobicContact CG1-CG1 4.23Å; I596-M598 WeakPolarHBondContact CG2-O 3.29Å; I596-F602 HydrophobicContact CD1-CE2 4.43Å; I596-F602 HydrophobicContact CD1-CZ 4.36Å; I596-F602 HydrophobicContact CG2-CE2 4.03Å; I596-F602 HydrophobicContact CG2-CZ 4.13Å; I596-L664 HydrophobicContact CD1-CB 4.25Å; I596-L664 HydrophobicContact CD1-CD1 3.91Å; I596-L664 HydrophobicContact CG1-CB 4.14Å; I596-L664 HydrophobicContact CG1-CD1 4.47Å; I596-L664 HydrophobicContact CG2-CB 4.29Å; I596-P666 VanDerWaalsContact O-CA 3.27Å; I596-P666 WeakPolarHBondContact O-CA 3.43Å; I596-P666 VanDerWaalsContact O-CB 3.28Å; I596-P666 WeakPolarHBondContact O-CB 3.48Å; I596-Y670 HydrophobicContact CG1-CE2 4.37Å; I596-L697 HydrophobicContact CD1-CD1 3.93Å
597Y84.1Confident88.8Confident83 Ų8330.1 Ų30.133%0.32515%0.146SC..  trans-88.5-41.3-173.5-72.1-90.4000114F546 L547 N595 V755F546-Y597 HydrophobicContact CD1-CE2 4.35Å; F546-Y597 AromaticContact CE1-CE2 3.75Å; F546-Y597 HydrophobicContact CE1-CE2 3.75Å; F546-Y597 AromaticContact CE1-CZ 3.94Å; F546-Y597 WeakPolarHBondContact CE1-OH 3.41Å; L547-Y597 HydrophobicContact CD2-CE2 4.29Å; N595-Y597 WeakPolarHBondContact O-CE2 3.08Å; Y597-V755 HydrophobicContact CD1-CG1 4.07Å; Y597-V755 HydrophobicContact CE1-CG1 4.13Å
598M82.7Confident88.8Confident64 Ų6430.5 Ų30.532%0.31515%0.147SC..SBendtrans-145.9160176.563.8171.863.900110.9I596 M600 F754 D756I596-M598 WeakPolarHBondContact CG2-O 3.29Å; M598-M600 HydrophobicContact CG-CE 3.7Å; M598-M600 PolarHBondContact O-N 3.29Å; M598-M600 HydrophobicContact SD-CE 3.55Å; M598-M600 VanDerWaalsContact SD-CE 3.55Å; M598-F754 WeakPolarHBondContact CE-O 3.3Å; M598-F754 HydrophobicContact SD-CB 4.45Å; M598-D756 HydrophobicContact CE-CB 4.44Å
599A87Confident88.5Confident24 Ų2432.2 Ų32.220%0.19815%0.154CC..SBendtrans-77.4111.4-175.600000111.2P634 L664 E665A599-P634 HydrophobicContact CB-CB 4.19Å; A599-P634 HydrophobicContact CB-CG 3.86Å; A599-L664 VanDerWaalsContact CA-O 3.3Å; A599-L664 WeakPolarHBondContact CA-O 3.28Å; A599-E665 HydrophobicContact CB-CG 4.17Å
600M86.8Confident87.8Confident14 Ų1433.6 Ų33.67%0.06916%0.164CC..EExtended strand (participates in β ladder)trans-158.9171.6-178.863.9164.157.700113.2M598 F602 C663 L664 P699 F754M598-M600 HydrophobicContact CG-CE 3.7Å; M598-M600 PolarHBondContact O-N 3.29Å; M598-M600 HydrophobicContact SD-CE 3.55Å; M598-M600 VanDerWaalsContact SD-CE 3.55Å; M600-F602 HydrophobicContact CG-CD2 4.19Å; M600-F602 HydrophobicContact CG-CE1 4.32Å; M600-F602 HydrophobicContact CG-CE2 3.48Å; M600-F602 VanDerWaalsContact CG-CE2 3.48Å; M600-F602 HydrophobicContact CG-CZ 3.55Å; M600-F602 WeakPolarHBondContact O-CD2 3.46Å; M600-F602 WeakPolarHBondContact O-CE2 3.25Å; M600-F602 HydrophobicContact SD-CE1 4.33Å; M600-F602 HydrophobicContact SD-CE2 4.49Å; M600-F602 HydrophobicContact SD-CZ 4.05Å; M600-C663 VanDerWaalsContact O-CA 3.31Å; M600-C663 WeakPolarHBondContact O-CA 3.34Å; M600-L664 PolarHBondContact N-O 2.98Å; M600-L664 PolarHBondContact O-N 3.03Å; M600-P699 HydrophobicContact SD-CB 3.63Å; M600-P699 HydrophobicContact SD-CG 3.9Å; M600-F754 HydrophobicContact CE-CB 3.44Å; M600-F754 VanDerWaalsContact CE-CB 3.44Å; M600-F754 HydrophobicContact SD-CB 4.11Å
601D88Confident86.8Confident62 Ų6237.1 Ų37.133%0.33219%0.19SC..EExtended strand (participates in β ladder)trans-76.5122.1175.9-82.1-56.1000112.7T661 S700D601-T661 HydrophobicContact CB-CG2 4.06Å; D601-T661 PolarHBondContact OD1-OG1 3.1Å; D601-S700 PolarHBondContact O-N 3.31Å
602F89.3Confident85.9Confident4 Ų438 Ų382%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-114.6138.1175.1-64.1-93.1000112.2L547 I596 M600 T661 V662 L664 L697 L698 P699L547-F602 HydrophobicContact CD1-CD1 4.28Å; L547-F602 HydrophobicContact CD1-CE1 3.6Å; L547-F602 HydrophobicContact CD1-CZ 4.23Å; I596-F602 HydrophobicContact CD1-CE2 4.43Å; I596-F602 HydrophobicContact CD1-CZ 4.36Å; I596-F602 HydrophobicContact CG2-CE2 4.03Å; I596-F602 HydrophobicContact CG2-CZ 4.13Å; M600-F602 HydrophobicContact CG-CD2 4.19Å; M600-F602 HydrophobicContact CG-CE1 4.32Å; M600-F602 HydrophobicContact CG-CE2 3.48Å; M600-F602 VanDerWaalsContact CG-CE2 3.48Å; M600-F602 HydrophobicContact CG-CZ 3.55Å; M600-F602 WeakPolarHBondContact O-CD2 3.46Å; M600-F602 WeakPolarHBondContact O-CE2 3.25Å; M600-F602 HydrophobicContact SD-CE1 4.33Å; M600-F602 HydrophobicContact SD-CE2 4.49Å; M600-F602 HydrophobicContact SD-CZ 4.05Å; F602-T661 CarbonylContact O-C 3.57Å; F602-T661 VanDerWaalsContact O-CA 3.24Å; F602-T661 WeakPolarHBondContact O-CA 3.32Å; F602-V662 PolarHBondContact N-O 3.49Å; F602-V662 PolarHBondContact O-N 3.46Å; F602-L664 HydrophobicContact CB-CD1 4.46Å; F602-L664 HydrophobicContact CD2-CB 3.8Å; F602-L664 HydrophobicContact CD2-CD1 3.97Å; F602-L664 HydrophobicContact CD2-CG 4Å; F602-L664 HydrophobicContact CE2-CB 3.93Å; F602-L664 HydrophobicContact CG-CD1 4.34Å; F602-L697 HydrophobicContact CB-CB 4.43Å; F602-L697 HydrophobicContact CD1-CB 4Å; F602-L697 HydrophobicContact CG-CB 4.44Å; F602-L698 CarbonylContact C-O 3.59Å; F602-L698 VanDerWaalsContact CA-O 3.24Å; F602-L698 WeakPolarHBondContact CA-O 3.29Å; F602-P699 HydrophobicContact CD1-CG 4.08Å; F602-P699 HydrophobicContact CE1-CG 3.76Å
603H89.3Confident85.2Confident26 Ų2640.3 Ų40.312%0.1222%0.22CC..EExtended strand (participates in β ladder)trans-77.2139.2159.9-60.8-98.4000109.6V605 D657 S658 L697 L698 R727H603-V605 HydrophobicContact CB-CG2 4.26Å; H603-D657 WeakPolarHBondContact CB-OD1 3.18Å; H603-D657 IonicContact CG-OD1 3.09Å; H603-D657 IonicContact ND1-OD1 3.91Å; H603-S658 WeakPolarHBondContact CA-OG 3.34Å; H603-S658 PolarHBondContact ND1-O 3.33Å; H603-L697 WeakPolarHBondContact O-CA 3.03Å; H603-L698 HydrophobicContact CB-CB 4.27Å; H603-L698 PolarHBondContact N-O 2.83Å; H603-L698 PolarHBondContact O-N 2.03Å; H603-R727 PolarHBondContact CD2-NH2 3.26Å; H603-R727 VanDerWaalsContact CD2-NH2 3.32Å; H603-R727 PolarHBondContact NE2-NH1 3.09Å; H603-R727 PolarHBondContact NE2-NH2 3.15Å
604V89Confident84.6Confident5 Ų541.6 Ų41.63%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-96.3110.2172.7-177.80000108.4V621 M645 S658 V662 L695 L697V604-V621 HydrophobicContact CG1-CG1 4.33Å; V604-M645 HydrophobicContact CB-CE 4.21Å; V604-M645 HydrophobicContact CB-SD 4.49Å; V604-M645 HydrophobicContact CG2-CE 3.91Å; V604-S658 PolarHBondContact N-OG 3.09Å; V604-S658 WeakPolarHBondContact O-CB 2.96Å; V604-S658 PolarHBondContact O-N 2.87Å; V604-V662 HydrophobicContact CG2-CG2 4.06Å; V604-L695 HydrophobicContact CG1-CD1 4.02Å; V604-L695 HydrophobicContact CG1-CD2 4.32Å; V604-L695 HydrophobicContact CG1-CG 4.21Å; V604-L697 HydrophobicContact CB-CD2 4.5Å; V604-L697 HydrophobicContact CG2-CD2 3.9Å
605V89.4Confident84.2Confident0 Ų034.2 Ų34.20%021%0.205CC..EExtended strand (participates in β ladder)trans-108.6138.7-173177.70000109.3H603 L655 Y656 D657 L695 V696 L698H603-V605 HydrophobicContact CB-CG2 4.26Å; V605-L655 HydrophobicContact CG1-CD1 3.39Å; V605-L655 HydrophobicContact CG1-CD2 4.04Å; V605-L655 HydrophobicContact CG1-CG 3.65Å; V605-Y656 CarbonylContact C-O 3.52Å; V605-Y656 WeakPolarHBondContact CA-O 2.87Å; V605-Y656 WeakPolarHBondContact CG1-O 3.48Å; V605-D657 HydrophobicContact CG2-CB 4.42Å; V605-L695 CarbonylContact O-C 3.53Å; V605-L695 WeakPolarHBondContact O-CA 3.2Å; V605-V696 HydrophobicContact CB-CB 4.13Å; V605-V696 WeakPolarHBondContact CB-O 3.31Å; V605-V696 HydrophobicContact CG1-CB 4.47Å; V605-V696 PolarHBondContact N-O 3.03Å; V605-V696 PolarHBondContact O-N 3.4Å; V605-L698 HydrophobicContact CG2-CD1 3.72Å; V605-L698 HydrophobicContact CG2-CG 3.9Å
606L90.4Very high84.1Confident4 Ų431.1 Ų31.12%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-121.8122.1177.6-166.977.7000109.7L649 L655 Y656 V674 F676 I692 L695L606-L649 HydrophobicContact CD2-CD1 3.95Å; L606-L649 HydrophobicContact CD2-CD2 4.47Å; L606-L655 CarbonylContact O-C 3.42Å; L606-L655 WeakPolarHBondContact O-CA 3.09Å; L606-Y656 PolarHBondContact N-O 2.91Å; L606-Y656 PolarHBondContact O-N 2.93Å; L606-V674 HydrophobicContact CD2-CG1 4.4Å; L606-F676 HydrophobicContact CD2-CZ 4.38Å; L606-I692 HydrophobicContact CD1-CG2 4.03Å; L606-I692 HydrophobicContact CD2-CD1 4.46Å; L606-I692 HydrophobicContact CG-CG2 4.37Å; L606-L695 HydrophobicContact CD1-CB 4.36Å
607R89.6Confident83.9Confident10 Ų1034.7 Ų34.74%0.03820%0.204CC..EExtended strand (participates in β ladder)trans-90.4135.5171.7-71179.1175.9143-4.8109.8D545 K654 L655 D693 S694 M731D545-R607 IonicContact OD2-CZ 2.67Å; D545-R607 IonicContact OD2-NH1 3.5Å; D545-R607 IonicContact OD2-NH2 2.72Å; D545-R607 PolarHBondContact OD2-NH2 3.3Å; R607-K654 WeakPolarHBondContact CA-O 3.01Å; R607-L655 HydrophobicContact CG-CD1 3.59Å; R607-D693 HydrophobicContact CB-CB 3.81Å; R607-D693 WeakPolarHBondContact CB-OD2 3.47Å; R607-D693 WeakPolarHBondContact CD-OD2 3.37Å; R607-D693 PolarHBondContact O-N 3.12Å; R607-S694 WeakPolarHBondContact CD-OG 2.96Å; R607-S694 PolarHBondContact N-O 3.38Å; R607-M731 PolarHBondContact NE-O 2.81Å; R607-M731 PolarHBondContact NH2-O 3.28Å
608Y89.7Confident83.8Confident7 Ų731.6 Ų31.63%0.02720%0.198CC..EExtended strand (participates in β ladder)trans-157.1157.7-176.267.6-79.3000112.7L649 Y650 S653 K654 M690 L691Y608-L649 HydrophobicContact CD1-CD2 4.07Å; Y608-L649 HydrophobicContact CD2-CB 4.43Å; Y608-L649 HydrophobicContact CE1-CB 4.48Å; Y608-L649 HydrophobicContact CE1-CD2 3.6Å; Y608-L649 HydrophobicContact CE1-CG 4.47Å; Y608-L649 HydrophobicContact CE2-CB 3.85Å; Y608-L649 HydrophobicContact CE2-CD2 4.47Å; Y608-L649 HydrophobicContact CG-CD1 4.41Å; Y608-Y650 PolarHBondContact OH-N 3.44Å; Y608-Y650 VanDerWaalsContact OH-N 3.12Å; Y608-Y650 PolarHBondContact OH-O 3.16Å; Y608-S653 VanDerWaalsContact CE2-O 3.22Å; Y608-S653 WeakPolarHBondContact CE2-O 3.11Å; Y608-S653 VanDerWaalsContact OH-CB 3.25Å; Y608-S653 WeakPolarHBondContact OH-CB 2.85Å; Y608-K654 PolarHBondContact N-O 3.34Å; Y608-K654 VanDerWaalsContact O-CA 3.3Å; Y608-K654 WeakPolarHBondContact O-CA 3.27Å; Y608-M690 HydrophobicContact CD2-CE 4.29Å; Y608-M690 HydrophobicContact CD2-CG 4.32Å; Y608-M690 HydrophobicContact CD2-SD 3.67Å; Y608-M690 HydrophobicContact CE2-CE 4.39Å; Y608-M690 HydrophobicContact CE2-SD 4.27Å; Y608-M690 HydrophobicContact CG-SD 4.29Å; Y608-L691 CarbonylContact C-O 3.56Å; Y608-L691 VanDerWaalsContact CA-O 3.29Å; Y608-L691 WeakPolarHBondContact CA-O 3.39Å; Y608-L691 WeakPolarHBondContact CB-O 3.34Å
609E85.9Confident84Confident51 Ų5128.5 Ų28.524%0.23818%0.183CC..EExtended strand (participates in β ladder)trans-122.1137.1164.9-67.5-154.2149.300110.9F580 K654 M690 L691F580-E609 HydrophobicContact CE1-CB 4.33Å; F580-E609 HydrophobicContact CE1-CG 4.02Å; F580-E609 HydrophobicContact CZ-CG 4.1Å; E609-K654 IonicContact OE1-NZ 2.72Å; E609-K654 PolarHBondContact OE1-NZ 3.35Å; E609-M690 WeakPolarHBondContact O-CG 3.34Å; E609-L691 HydrophobicContact CB-CB 4.36Å; E609-L691 PolarHBondContact N-O 2.66Å; E609-L691 PolarHBondContact O-N 2.97Å
610S78.9Confident84.2Confident29 Ų2932.5 Ų32.520%0.20319%0.192CC..  trans-124.1122.9-177.7-173.40000111.2L612S610-L612 VanDerWaalsContact C-N 3.33Å; S610-L612 WeakPolarHBondContact OG-CB 3.46Å; S610-L612 PolarHBondContact OG-N 2.99Å
611S72.6Confident84.3Confident103 Ų10332 Ų3272%0.7219%0.19SC*.  trans-91.24.5167.3580000113
612L75Confident84.5Confident21 Ų2130.6 Ų30.611%0.1118%0.183CC..  trans-83.5144.1-175.6-58.4168.1000111.1S610 A614 W616 P651 Y679 A688 S689 M690S610-L612 VanDerWaalsContact C-N 3.33Å; S610-L612 WeakPolarHBondContact OG-CB 3.46Å; S610-L612 PolarHBondContact OG-N 2.99Å; L612-A614 VanDerWaalsContact C-N 3.32Å; L612-W616 HydrophobicContact CD1-CE3 3.48Å; L612-W616 VanDerWaalsContact CD1-CE3 3.48Å; L612-W616 HydrophobicContact CD1-CZ3 3.76Å; L612-P651 VanDerWaalsContact O-CB 3.32Å; L612-P651 WeakPolarHBondContact O-CB 3.16Å; L612-P651 VanDerWaalsContact O-CG 3.27Å; L612-P651 WeakPolarHBondContact O-CG 3.06Å; L612-Y679 HydrophobicContact CB-CE2 4.01Å; L612-Y679 HydrophobicContact CD1-CD2 4.08Å; L612-Y679 HydrophobicContact CD1-CE2 3.76Å; L612-Y679 HydrophobicContact CD2-CE2 4.11Å; L612-Y679 HydrophobicContact CG-CE2 4.18Å; L612-A688 HydrophobicContact CD2-CB 4.25Å; L612-S689 WeakPolarHBondContact CG-O 3.24Å; L612-M690 HydrophobicContact CD1-CE 4.27Å
613A74.7Confident84.5Confident102 Ų10230.6 Ų30.684%0.84318%0.183SC*.SBendtrans-80.3-12.2175.900000113.6
614A76.2Confident84.5Confident28 Ų2833.1 Ų33.123%0.23120%0.197CC..SBendtrans-128.3163.3-17700000111.4L612 P651 Y679 Q680L612-A614 VanDerWaalsContact C-N 3.32Å; A614-P651 WeakPolarHBondContact O-CG 3.48Å; A614-Y679 HydrophobicContact CB-CE2 4.02Å; A614-Q680 HydrophobicContact CB-CB 4.33Å
615A77.5Confident84.5Confident7 Ų734.7 Ų34.76%0.05820%0.202CC..PPolyproline II helixtrans-75.7141.5-177.200000111.8Q617 L649 Y650 Q680A615-Q617 PolarHBondContact O-N 3.49Å; A615-L649 CarbonylContact C-O 3.49Å; A615-L649 VanDerWaalsContact CA-O 3.27Å; A615-L649 WeakPolarHBondContact CA-O 3.07Å; A615-Y650 HydrophobicContact CB-CD1 3.79Å; A615-Y650 HydrophobicContact CB-CE1 4.07Å; A615-Y650 HydrophobicContact CB-CG 4.45Å; A615-Q680 VanDerWaalsContact N-OE1 3.15Å
616W83.5Confident84.3Confident0 Ų038.4 Ų38.40%023%0.226CC..EExtended strand (participates in β ladder)trans-78.1117.9168.5-158.8-65.8000108.8E585 L612 V619 S648 L649 F676 Y679 M690E585-W616 HydrophobicContact CG-CH2 4.3Å; E585-W616 HydrophobicContact CG-CZ2 4.14Å; L612-W616 HydrophobicContact CD1-CE3 3.48Å; L612-W616 VanDerWaalsContact CD1-CE3 3.48Å; L612-W616 HydrophobicContact CD1-CZ3 3.76Å; W616-V619 HydrophobicContact CB-CG2 4.48Å; W616-V619 HydrophobicContact CG-CG2 4.23Å; W616-S648 CarbonylContact O-C 3.55Å; W616-S648 WeakPolarHBondContact O-CA 2.99Å; W616-S648 WeakPolarHBondContact O-CB 3.47Å; W616-L649 HydrophobicContact CB-CB 4.25Å; W616-L649 PolarHBondContact N-O 3.04Å; W616-L649 PolarHBondContact O-N 3.42Å; W616-F676 HydrophobicContact CZ2-CB 4.03Å; W616-Y679 HydrophobicContact CE3-CD2 4.44Å; W616-M690 HydrophobicContact CB-CE 3.68Å; W616-M690 HydrophobicContact CE3-CB 4.06Å; W616-M690 HydrophobicContact CE3-CE 4.16Å; W616-M690 HydrophobicContact CG-CE 4.42Å; W616-M690 HydrophobicContact CZ3-CB 4.2Å
617Q82.5Confident83.9Confident84 Ų8443.7 Ų43.739%0.39325%0.254SS..EExtended strand (participates in β ladder)trans-100152.3-173.1-67.1-164.4-24.500112.3A615 V619 A678 Q680A615-Q617 PolarHBondContact O-N 3.49Å; Q617-V619 VanDerWaalsContact C-N 3.3Å; Q617-V619 PolarHBondContact O-N 3.46Å; Q617-A678 PolarHBondContact N-O 3.08Å; Q617-Q680 HydrophobicContact CG-CB 4.48Å; Q617-Q680 HydrophobicContact CG-CG 4.27Å
618G81.8Confident83.5Confident18 Ų1848.5 Ų48.519%0.18629%0.287CS..EExtended strand (participates in β ladder)trans63.833.2173.500000113.8R620 F647 N677G618-R620 PolarHBondContact O-N 2.8Å; G618-F647 PolarHBondContact N-O 3.24Å; G618-N677 PolarHBondContact O-ND2 3.02Å
619V87.8Confident83.2Confident0 Ų049.6 Ų49.60%030%0.295CS..EExtended strand (participates in β ladder)trans-64.9125.4166-1770000107.3W616 Q617 Q646 F647 L649 V674 A675 F676W616-V619 HydrophobicContact CB-CG2 4.48Å; W616-V619 HydrophobicContact CG-CG2 4.23Å; Q617-V619 VanDerWaalsContact C-N 3.3Å; Q617-V619 PolarHBondContact O-N 3.46Å; V619-Q646 WeakPolarHBondContact O-CA 3.38Å; V619-F647 HydrophobicContact CB-CD2 3.93Å; V619-F647 HydrophobicContact CB-CE2 3.69Å; V619-F647 HydrophobicContact CB-CZ 4.22Å; V619-F647 HydrophobicContact CG1-CD2 4.24Å; V619-F647 HydrophobicContact CG1-CE2 3.49Å; V619-F647 VanDerWaalsContact CG1-CE2 3.49Å; V619-F647 HydrophobicContact CG1-CZ 3.66Å; V619-F647 PolarHBondContact N-O 3.19Å; V619-F647 PolarHBondContact O-N 3.41Å; V619-L649 HydrophobicContact CG2-CD1 4.03Å; V619-L649 HydrophobicContact CG2-CG 4.04Å; V619-V674 HydrophobicContact CG1-CG1 3.86Å; V619-A675 WeakPolarHBondContact CA-O 3.34Å; V619-F676 HydrophobicContact CG1-CD1 4.31Å; V619-F676 HydrophobicContact CG1-CE1 4.09Å; V619-F676 HydrophobicContact CG1-CZ 4.5Å; V619-F676 HydrophobicContact CG2-CD1 4Å; V619-F676 HydrophobicContact CG2-CE1 4.25Å
620R90.1Very high83Confident107 Ų10750.8 Ų50.840%0.40430%0.303SS..EExtended strand (participates in β ladder)trans-114.5129.3-178171.2-179.8170.5153.72.4109.6G618 D622 L644 M645 V674 A675G618-R620 PolarHBondContact O-N 2.8Å; R620-D622 IonicContact CZ-OD2 3.05Å; R620-D622 VanDerWaalsContact CZ-OD2 3.25Å; R620-D622 IonicContact NE-OD2 2.93Å; R620-D622 PolarHBondContact NE-OD2 2.91Å; R620-D622 IonicContact NH2-OD2 2.97Å; R620-D622 PolarHBondContact NH2-OD2 2.88Å; R620-L644 HydrophobicContact CG-CD1 3.87Å; R620-L644 VanDerWaalsContact NE-CD1 3.32Å; R620-M645 CarbonylContact C-O 3.6Å; R620-M645 WeakPolarHBondContact CA-O 3.04Å; R620-V674 CarbonylContact O-C 3.45Å; R620-V674 WeakPolarHBondContact O-CA 3.29Å; R620-A675 HydrophobicContact CB-CB 4.49Å; R620-A675 PolarHBondContact N-O 3.11Å; R620-A675 PolarHBondContact O-N 3.43Å
621V90Very high83.2Confident3 Ų355.1 Ų55.12%0.01833%0.33CS..EExtended strand (participates in β ladder)trans-110.3132.4170174.50000108.7V604 M645 F647 I672 R673 V674V604-V621 HydrophobicContact CG1-CG1 4.33Å; V621-M645 HydrophobicContact CB-CB 4.24Å; V621-M645 HydrophobicContact CG1-CE 4.19Å; V621-M645 PolarHBondContact N-O 2.76Å; V621-M645 PolarHBondContact O-N 2.84Å; V621-F647 HydrophobicContact CB-CE1 4.18Å; V621-F647 HydrophobicContact CG2-CE1 3.43Å; V621-F647 VanDerWaalsContact CG2-CE1 3.43Å; V621-F647 HydrophobicContact CG2-CZ 3.6Å; V621-I672 HydrophobicContact CG1-CG2 3.56Å; V621-R673 CarbonylContact C-O 3.4Å; V621-R673 WeakPolarHBondContact CA-O 3.19Å; V621-V674 HydrophobicContact CG2-CB 4.42Å; V621-V674 HydrophobicContact CG2-CG1 4.02Å; V621-V674 HydrophobicContact CG2-CG2 4.08Å
622D91Very high83.7Confident34 Ų3455.3 Ų55.318%0.18233%0.331CS..EExtended strand (participates in β ladder)trans-130.5111.6-174.8-147.6-52.4000108.4R620 I624 R673R620-D622 IonicContact CZ-OD2 3.05Å; R620-D622 VanDerWaalsContact CZ-OD2 3.25Å; R620-D622 IonicContact NE-OD2 2.93Å; R620-D622 PolarHBondContact NE-OD2 2.91Å; R620-D622 IonicContact NH2-OD2 2.97Å; R620-D622 PolarHBondContact NH2-OD2 2.88Å; D622-I624 PolarHBondContact O-N 2.87Å; D622-R673 HydrophobicContact CB-CB 4.27Å; D622-R673 PolarHBondContact N-O 2.79Å; D622-R673 PolarHBondContact O-N 3.1Å
623V89.8Confident83.8Confident3 Ų355.2 Ų55.22%0.01834%0.336CS..EExtended strand (participates in β ladder)trans-91.796.6-179.4-177.30000109.4R625 D643 M645 V662 L664 Y670 I672V623-R625 PolarHBondContact O-N 2.99Å; V623-D643 HydrophobicContact CB-CB 4.09Å; V623-D643 PolarHBondContact N-O 3.49Å; V623-M645 HydrophobicContact CG2-CE 4.19Å; V623-V662 HydrophobicContact CG1-CG1 4.25Å; V623-V662 HydrophobicContact CG2-CG1 4.36Å; V623-V662 HydrophobicContact CG2-CG2 4.39Å; V623-L664 HydrophobicContact CG1-CD2 4.28Å; V623-Y670 HydrophobicContact CG1-CD1 4.34Å; V623-I672 HydrophobicContact CG1-CG1 4.44Å; V623-I672 HydrophobicContact CG2-CD1 4.5Å; V623-I672 HydrophobicContact CG2-CG1 4.3Å; V623-I672 HydrophobicContact CG2-CG2 4.4Å
624I89.9Confident84.1Confident80 Ų8054.8 Ų54.841%0.4132%0.324SS..EExtended strand (participates in β ladder)trans-84.9107-177.7-54.2170.8000108.7D622 H671D622-I624 PolarHBondContact O-N 2.87Å; I624-H671 HydrophobicContact CB-CB 4.11Å; I624-H671 WeakPolarHBondContact CB-O 3.33Å; I624-H671 PolarHBondContact N-O 3.45Å; I624-H671 PolarHBondContact O-N 2.85Å; I624-H671 VanDerWaalsContact O-N 3.07Å
625R88.4Confident84.6Confident38 Ų3853.5 Ų53.514%0.14331%0.314CS..  trans-87.4141.1173.9-46.3-177.4176.6-104.3-7.2110.7V623 N627 S638 D643 V662 C663 Y670V623-R625 PolarHBondContact O-N 2.99Å; R625-N627 WeakPolarHBondContact CB-O 3.39Å; R625-S638 PolarHBondContact NH2-OG 2.75Å; R625-D643 WeakPolarHBondContact CD-OD2 3.29Å; R625-D643 IonicContact CZ-OD1 3.92Å; R625-D643 IonicContact CZ-OD2 2.77Å; R625-D643 IonicContact NE-OD1 3.25Å; R625-D643 PolarHBondContact NE-OD1 3.5Å; R625-D643 IonicContact NE-OD2 3.44Å; R625-D643 PolarHBondContact NE-OD2 2.82Å; R625-D643 IonicContact NH2-OD1 2.65Å; R625-D643 PolarHBondContact NH2-OD1 2.74Å; R625-V662 VanDerWaalsContact NH2-CG1 3.25Å; R625-C663 VanDerWaalsContact CZ-O 3.31Å; R625-C663 PolarHBondContact NH1-O 3.18Å; R625-C663 PolarHBondContact NH2-O 3.08Å; R625-Y670 HydrophobicContact CB-CD1 4.19Å; R625-Y670 HydrophobicContact CB-CE1 4.12Å; R625-Y670 HydrophobicContact CG-CD1 3.91Å; R625-Y670 HydrophobicContact CG-CE1 3.82Å
626P84.1Confident84.9Confident78 Ų7855.3 Ų55.351%0.50633%0.329SS..SBendtrans-77-28.1175.830.1-33.6000112.9V668 Q669P626-V668 HydrophobicContact CG-CG1 3.55Å; P626-Q669 WeakPolarHBondContact CD-O 3.44Å
627N82.7Confident84.8Confident115 Ų11562.3 Ų62.362%0.61537%0.366SS*.SBendtrans-137159.8179.8-64.1-54.2000110.2R625R625-N627 WeakPolarHBondContact CB-O 3.39Å
628P81.8Confident84.6Confident110 Ų11059.4 Ų59.471%0.71436%0.355SS*.PPolyproline II helixtrans-61.6154165.5-18.332.2000111.8
629P82.8Confident84.7Confident31 Ų3162.6 Ų62.620%0.20137%0.367CS..PPolyproline II helixtrans-57.9155.3174.4-22.132.5000113.5P631 C635 E665P629-P631 WeakPolarHBondContact O-CD 3.38Å; P629-C635 HydrophobicContact CB-CB 4.08Å; P629-C635 WeakPolarHBondContact CB-O 3.13Å; P629-E665 WeakPolarHBondContact CA-OE2 3.41Å
630D81.9Confident84.3Confident76 Ų7668 Ų6841%0.40640%0.402SS..PPolyproline II helixtrans-62.5118.5173.5-176.9-18.3000109.7S632 G633 A636 E665D630-S632 PolarHBondContact O-N 3.07Å; D630-S632 WeakPolarHBondContact OD1-CA 3.3Å; D630-S632 WeakPolarHBondContact OD1-CB 3.31Å; D630-S632 PolarHBondContact OD1-N 3.4Å; D630-S632 PolarHBondContact OD1-OG 2.95Å; D630-S632 PolarHBondContact OD2-OG 3.35Å; D630-G633 PolarHBondContact O-N 2.8Å; D630-G633 PolarHBondContact OD1-N 3.1Å; D630-A636 WeakPolarHBondContact O-CA 3.41Å; D630-A636 WeakPolarHBondContact O-CB 3.15Å; D630-E665 PolarHBondContact N-OE1 3.31Å
631P82.9Confident83.9Confident120 Ų12069.8 Ų69.878%0.77941%0.413SS*.THydrogen-bonded Turntrans-67.1-7.1179.929.4-36.5000114P629P629-P631 WeakPolarHBondContact O-CD 3.38Å
632S83.3Confident83.5Confident106 Ų10671.8 Ų71.874%0.74142%0.424SS*.THydrogen-bonded Turntrans-109.8-7.5172.666.90000114.1D630D630-S632 PolarHBondContact O-N 3.07Å; D630-S632 WeakPolarHBondContact OD1-CA 3.3Å; D630-S632 WeakPolarHBondContact OD1-CB 3.31Å; D630-S632 PolarHBondContact OD1-N 3.4Å; D630-S632 PolarHBondContact OD1-OG 2.95Å; D630-S632 PolarHBondContact OD2-OG 3.35Å
633G78Confident83.2Confident19 Ų1971 Ų7120%0.19642%0.42CS..SBendtrans-86.1172.6-179.600000113.9D630 C635 A636D630-G633 PolarHBondContact O-N 2.8Å; D630-G633 PolarHBondContact OD1-N 3.1Å; G633-C635 PolarHBondContact O-N 3.26Å; G633-A636 VanDerWaalsContact O-CB 3.27Å; G633-A636 WeakPolarHBondContact O-CB 3.24Å; G633-A636 PolarHBondContact O-N 2.93Å; G633-A636 VanDerWaalsContact O-N 3.11Å
634P80.8Confident83.1Confident94 Ų9474.9 Ų74.961%0.6144%0.439SS*.G310 helixtrans-56-32.6176.1-26.336.2000113.5A599 A636A599-P634 HydrophobicContact CB-CB 4.19Å; A599-P634 HydrophobicContact CB-CG 3.86Å; P634-A636 VanDerWaalsContact C-N 3.31Å; P634-A636 PolarHBondContact O-N 3.15Å
635C86.3Confident83Confident1 Ų171.5 Ų71.51%0.00742%0.422CS..G310 helixtrans-83.25.4-179.3-60.70000115P629 G633 N637 S638 C663 E665P629-C635 HydrophobicContact CB-CB 4.08Å; P629-C635 WeakPolarHBondContact CB-O 3.13Å; G633-C635 PolarHBondContact O-N 3.26Å; C635-N637 PolarHBondContact O-N 3.36Å; C635-S638 VanDerWaalsContact O-CB 3.26Å; C635-S638 WeakPolarHBondContact O-CB 3.14Å; C635-S638 PolarHBondContact O-N 2.81Å; C635-C663 WeakPolarHBondContact CA-SG 3.11Å; C635-C663 HydrophobicContact CB-CB 3.71Å; C635-C663 WeakPolarHBondContact CB-SG 3.47Å; C635-C663 WeakPolarHBondContact SG-CB 3.06Å; C635-C663 CovalentContact SG-SG 2.04Å; C635-C663 PolarHBondContact SG-SG 3.04Å; C635-E665 HydrophobicContact CB-CG 3.92Å
636A82.7Confident82.9Confident45 Ų4576.6 Ų76.637%0.37245%0.448SS..G310 helixtrans-55.5-23.3-179.100000114.7D630 G633 P634D630-A636 WeakPolarHBondContact O-CA 3.41Å; D630-A636 WeakPolarHBondContact O-CB 3.15Å; G633-A636 VanDerWaalsContact O-CB 3.27Å; G633-A636 WeakPolarHBondContact O-CB 3.24Å; G633-A636 PolarHBondContact O-N 2.93Å; G633-A636 VanDerWaalsContact O-N 3.11Å; P634-A636 VanDerWaalsContact C-N 3.31Å; P634-A636 PolarHBondContact O-N 3.15Å
637N82.5Confident83.1Confident147 Ų14773.9 Ų73.979%0.78643%0.428SS*.G310 helixtrans-90.9-3178.6-65.5-49.8000114.3C635 L639C635-N637 PolarHBondContact O-N 3.36Å; N637-L639 PolarHBondContact O-N 2.71Å
638S79Confident83.3Confident22 Ų2269.8 Ų69.815%0.15441%0.408CS..  trans-70.6125.2-178.4-165.60000110.8R625 C635R625-S638 PolarHBondContact NH2-OG 2.75Å; C635-S638 VanDerWaalsContact O-CB 3.26Å; C635-S638 WeakPolarHBondContact O-CB 3.14Å; C635-S638 PolarHBondContact O-N 2.81Å
639L82.5Confident83.6Confident86 Ų8664.6 Ų64.645%0.4537%0.374SS..  trans-102.6149.1-178-62.8166.5000110.8N637 K641 D642N637-L639 PolarHBondContact O-N 2.71Å; L639-K641 HydrophobicContact CB-CD 4.24Å; L639-K641 HydrophobicContact CB-CG 4.04Å; L639-K641 HydrophobicContact CD1-CD 4.15Å; L639-K641 PolarHBondContact O-N 2.87Å; L639-D642 WeakPolarHBondContact CA-OD2 3.37Å; L639-D642 WeakPolarHBondContact CB-OD2 3.4Å; L639-D642 PolarHBondContact N-OD2 3.3Å; L639-D642 WeakPolarHBondContact O-CB 3.49Å; L639-D642 PolarHBondContact O-N 3.32Å
640P80.2Confident83.7Confident112 Ų11269.6 Ų69.673%0.72739%0.39SS*.THydrogen-bonded Turntrans-60.8-10.4178.8-25.734.8000115.7
641K81.3Confident83.5Confident145 Ų14568.3 Ų68.363%0.6339%0.386SS*.THydrogen-bonded Turntrans-76.2-26.3172.477.8-170.4-175-176.40111.9L639 D643L639-K641 HydrophobicContact CB-CD 4.24Å; L639-K641 HydrophobicContact CB-CG 4.04Å; L639-K641 HydrophobicContact CD1-CD 4.15Å; L639-K641 PolarHBondContact O-N 2.87Å; K641-D643 VanDerWaalsContact C-N 3.3Å
642D81.4Confident83.1Confident46 Ų4666.3 Ų66.325%0.24639%0.388CS..THydrogen-bonded Turntrans-79.9-21-175.4-50.7-39.3000110.3L639 L644L639-D642 WeakPolarHBondContact CA-OD2 3.37Å; L639-D642 WeakPolarHBondContact CB-OD2 3.4Å; L639-D642 PolarHBondContact N-OD2 3.3Å; L639-D642 WeakPolarHBondContact O-CB 3.49Å; L639-D642 PolarHBondContact O-N 3.32Å; D642-L644 VanDerWaalsContact C-N 3.27Å; D642-L644 PolarHBondContact O-N 3.08Å
643D85.7Confident83Confident18 Ų1863.8 Ų63.810%0.09637%0.37CS..THydrogen-bonded Turntrans-74-11.6174.1-66.7-26.5000114.1V623 R625 K641V623-D643 HydrophobicContact CB-CB 4.09Å; V623-D643 PolarHBondContact N-O 3.49Å; R625-D643 WeakPolarHBondContact CD-OD2 3.29Å; R625-D643 IonicContact CZ-OD1 3.92Å; R625-D643 IonicContact CZ-OD2 2.77Å; R625-D643 IonicContact NE-OD1 3.25Å; R625-D643 PolarHBondContact NE-OD1 3.5Å; R625-D643 IonicContact NE-OD2 3.44Å; R625-D643 PolarHBondContact NE-OD2 2.82Å; R625-D643 IonicContact NH2-OD1 2.65Å; R625-D643 PolarHBondContact NH2-OD1 2.74Å; K641-D643 VanDerWaalsContact C-N 3.3Å
644L87.9Confident83Confident83 Ų8367.8 Ų67.844%0.43538%0.382SS..EExtended strand (participates in β ladder)trans-115112.4-176.7178.965.3000111.1R620 D642R620-L644 HydrophobicContact CG-CD1 3.87Å; R620-L644 VanDerWaalsContact NE-CD1 3.32Å; D642-L644 VanDerWaalsContact C-N 3.27Å; D642-L644 PolarHBondContact O-N 3.08Å
645M87.1Confident83.3Confident10 Ų1066 Ų665%0.04937%0.367CS..EExtended strand (participates in β ladder)trans-116.4142.4178-72.1165.9-89.200111V604 R620 V621 V623 V662V604-M645 HydrophobicContact CB-CE 4.21Å; V604-M645 HydrophobicContact CB-SD 4.49Å; V604-M645 HydrophobicContact CG2-CE 3.91Å; R620-M645 CarbonylContact C-O 3.6Å; R620-M645 WeakPolarHBondContact CA-O 3.04Å; V621-M645 HydrophobicContact CB-CB 4.24Å; V621-M645 HydrophobicContact CG1-CE 4.19Å; V621-M645 PolarHBondContact N-O 2.76Å; V621-M645 PolarHBondContact O-N 2.84Å; V623-M645 HydrophobicContact CG2-CE 4.19Å; M645-V662 HydrophobicContact CE-CG2 3.42Å; M645-V662 VanDerWaalsContact CE-CG2 3.42Å; M645-V662 HydrophobicContact SD-CG2 4.45Å
646Q87Confident83.3Confident145 Ų14567.7 Ų67.768%0.67837%0.373SS*.EExtended strand (participates in β ladder)trans-138.6130.3174.2-167.1177.318.100110.4V619V619-Q646 WeakPolarHBondContact O-CA 3.38Å
647F87.6Confident83.4Confident20 Ų2068.3 Ų68.39%0.08837%0.37CS..EExtended strand (participates in β ladder)trans-149.2-177.4-17251.8-93.5000112.3G618 V619 V621 L649 Y656G618-F647 PolarHBondContact N-O 3.24Å; V619-F647 HydrophobicContact CB-CD2 3.93Å; V619-F647 HydrophobicContact CB-CE2 3.69Å; V619-F647 HydrophobicContact CB-CZ 4.22Å; V619-F647 HydrophobicContact CG1-CD2 4.24Å; V619-F647 HydrophobicContact CG1-CE2 3.49Å; V619-F647 VanDerWaalsContact CG1-CE2 3.49Å; V619-F647 HydrophobicContact CG1-CZ 3.66Å; V619-F647 PolarHBondContact N-O 3.19Å; V619-F647 PolarHBondContact O-N 3.41Å; V621-F647 HydrophobicContact CB-CE1 4.18Å; V621-F647 HydrophobicContact CG2-CE1 3.43Å; V621-F647 VanDerWaalsContact CG2-CE1 3.43Å; V621-F647 HydrophobicContact CG2-CZ 3.6Å; F647-L649 HydrophobicContact CD2-CD2 3.83Å; F647-L649 HydrophobicContact CD2-CG 4.22Å; F647-L649 HydrophobicContact CE2-CD2 3.59Å; F647-L649 HydrophobicContact CE2-CG 4Å; F647-Y656 HydrophobicContact CB-CD2 4.15Å; F647-Y656 HydrophobicContact CB-CE2 3.41Å; F647-Y656 VanDerWaalsContact CB-CE2 3.41Å; F647-Y656 HydrophobicContact CD1-CD1 4.22Å; F647-Y656 AromaticContact CD1-CE1 3.47Å; F647-Y656 HydrophobicContact CD1-CE1 3.47Å; F647-Y656 VanDerWaalsContact CD1-CE1 3.47Å; F647-Y656 AromaticContact CD1-CE2 3.86Å; F647-Y656 HydrophobicContact CD1-CE2 3.86Å; F647-Y656 AromaticContact CD1-CZ 3.25Å; F647-Y656 VanDerWaalsContact CD1-OH 3.26Å; F647-Y656 WeakPolarHBondContact CD1-OH 2.74Å; F647-Y656 HydrophobicContact CD2-CD1 4.06Å; F647-Y656 AromaticContact CD2-CD2 3.71Å; F647-Y656 HydrophobicContact CD2-CD2 3.71Å; F647-Y656 HydrophobicContact CD2-CE1 4.09Å; F647-Y656 AromaticContact CD2-CE2 3.73Å; F647-Y656 HydrophobicContact CD2-CE2 3.73Å; F647-Y656 AromaticContact CD2-CG 3.88Å; F647-Y656 HydrophobicContact CD2-CG 3.88Å; F647-Y656 AromaticContact CD2-CZ 3.92Å; F647-Y656 AromaticContact CE1-CD1 3.92Å; F647-Y656 HydrophobicContact CE1-CD1 3.92Å; F647-Y656 AromaticContact CE1-CE1 3.39Å; F647-Y656 HydrophobicContact CE1-CE1 3.39Å; F647-Y656 AromaticContact CE1-CZ 3.73Å; F647-Y656 AromaticContact CE2-CD1 3.79Å; F647-Y656 HydrophobicContact CE2-CD1 3.79Å; F647-Y656 HydrophobicContact CE2-CD2 4.2Å; F647-Y656 HydrophobicContact CE2-CE1 4.04Å; F647-Y656 HydrophobicContact CE2-CE2 4.43Å; F647-Y656 AromaticContact CE2-CG 3.88Å; F647-Y656 HydrophobicContact CE2-CG 3.88Å; F647-Y656 HydrophobicContact CG-CD1 4.27Å; F647-Y656 AromaticContact CG-CD2 3.9Å; F647-Y656 HydrophobicContact CG-CD2 3.9Å; F647-Y656 AromaticContact CG-CE1 3.82Å; F647-Y656 HydrophobicContact CG-CE1 3.82Å; F647-Y656 AromaticContact CG-CE2 3.4Å; F647-Y656 HydrophobicContact CG-CE2 3.4Å; F647-Y656 HydrophobicContact CG-CG 4.31Å; F647-Y656 AromaticContact CG-CZ 3.35Å; F647-Y656 AromaticContact CZ-CD1 3.7Å; F647-Y656 HydrophobicContact CZ-CD1 3.7Å; F647-Y656 AromaticContact CZ-CE1 3.69Å; F647-Y656 HydrophobicContact CZ-CE1 3.69Å; F647-Y656 HydrophobicContact CZ-CG 4.28Å
648S87Confident83.5Confident30 Ų3061.3 Ų61.321%0.2133%0.333CS..EExtended strand (participates in β ladder)trans-125.4142.3171.3-56.70000110W616W616-S648 CarbonylContact O-C 3.55Å; W616-S648 WeakPolarHBondContact O-CA 2.99Å; W616-S648 WeakPolarHBondContact O-CB 3.47Å
649L88.1Confident83.5Confident0 Ų066 Ų660%036%0.363CS..EExtended strand (participates in β ladder)trans-100.3124.4176.9-63.3179.5000109L606 Y608 A615 W616 V619 F647 Y656 F676 M690L606-L649 HydrophobicContact CD2-CD1 3.95Å; L606-L649 HydrophobicContact CD2-CD2 4.47Å; Y608-L649 HydrophobicContact CD1-CD2 4.07Å; Y608-L649 HydrophobicContact CD2-CB 4.43Å; Y608-L649 HydrophobicContact CE1-CB 4.48Å; Y608-L649 HydrophobicContact CE1-CD2 3.6Å; Y608-L649 HydrophobicContact CE1-CG 4.47Å; Y608-L649 HydrophobicContact CE2-CB 3.85Å; Y608-L649 HydrophobicContact CE2-CD2 4.47Å; Y608-L649 HydrophobicContact CG-CD1 4.41Å; A615-L649 CarbonylContact C-O 3.49Å; A615-L649 VanDerWaalsContact CA-O 3.27Å; A615-L649 WeakPolarHBondContact CA-O 3.07Å; W616-L649 HydrophobicContact CB-CB 4.25Å; W616-L649 PolarHBondContact N-O 3.04Å; W616-L649 PolarHBondContact O-N 3.42Å; V619-L649 HydrophobicContact CG2-CD1 4.03Å; V619-L649 HydrophobicContact CG2-CG 4.04Å; F647-L649 HydrophobicContact CD2-CD2 3.83Å; F647-L649 HydrophobicContact CD2-CG 4.22Å; F647-L649 HydrophobicContact CE2-CD2 3.59Å; F647-L649 HydrophobicContact CE2-CG 4Å; L649-Y656 HydrophobicContact CD2-CG 4.14Å; L649-F676 HydrophobicContact CD1-CE1 3.95Å; L649-M690 HydrophobicContact CB-CE 3.86Å; L649-M690 HydrophobicContact CB-SD 4.01Å; L649-M690 HydrophobicContact CD1-CE 4.44Å; L649-M690 HydrophobicContact CD1-SD 3.52Å; L649-M690 VanDerWaalsContact CD1-SD 3.52Å; L649-M690 HydrophobicContact CG-SD 4.42Å
650Y85.3Confident83.5Confident136 Ų13664.2 Ų64.253%0.53336%0.358SS..PPolyproline II helixtrans-99.5145.1-169.5-68.3-85.2000112.1Y608 A615 S653Y608-Y650 PolarHBondContact OH-N 3.44Å; Y608-Y650 VanDerWaalsContact OH-N 3.12Å; Y608-Y650 PolarHBondContact OH-O 3.16Å; A615-Y650 HydrophobicContact CB-CD1 3.79Å; A615-Y650 HydrophobicContact CB-CE1 4.07Å; A615-Y650 HydrophobicContact CB-CG 4.45Å; Y650-S653 PolarHBondContact O-N 3.38Å
651P76.7Confident83.9Confident49 Ų4960.7 Ų60.732%0.31833%0.334SS..THydrogen-bonded Turntrans-55.2141.6169.6-2535.9000112.1L612 A614 S653L612-P651 VanDerWaalsContact O-CB 3.32Å; L612-P651 WeakPolarHBondContact O-CB 3.16Å; L612-P651 VanDerWaalsContact O-CG 3.27Å; L612-P651 WeakPolarHBondContact O-CG 3.06Å; A614-P651 WeakPolarHBondContact O-CG 3.48Å; P651-S653 PolarHBondContact O-N 3.26Å; P651-S653 VanDerWaalsContact O-N 3.11Å
652G73.8Confident84.2Confident79 Ų7953.8 Ų53.881%0.81430%0.304SS*.THydrogen-bonded Turntrans75.2-14.6178.200000115.7
653S81.5Confident84.7Confident53 Ų5352 Ų5237%0.37130%0.295SS..  trans-81.5140.4165.4-64.50000109.6Y608 Y650 P651Y608-S653 VanDerWaalsContact CE2-O 3.22Å; Y608-S653 WeakPolarHBondContact CE2-O 3.11Å; Y608-S653 VanDerWaalsContact OH-CB 3.25Å; Y608-S653 WeakPolarHBondContact OH-CB 2.85Å; Y650-S653 PolarHBondContact O-N 3.38Å; P651-S653 PolarHBondContact O-N 3.26Å; P651-S653 VanDerWaalsContact O-N 3.11Å
654K79.6Confident84.9Confident103 Ų10351.1 Ų51.145%0.44829%0.291SS..  trans-106.5-12.4176.6-64.1-163.5176.7-145.90114.5R607 Y608 E609R607-K654 WeakPolarHBondContact CA-O 3.01Å; Y608-K654 PolarHBondContact N-O 3.34Å; Y608-K654 VanDerWaalsContact O-CA 3.3Å; Y608-K654 WeakPolarHBondContact O-CA 3.27Å; E609-K654 IonicContact OE1-NZ 2.72Å; E609-K654 PolarHBondContact OE1-NZ 3.35Å
655L85.4Confident85Confident56 Ų5648.2 Ų48.229%0.29328%0.275SS..EExtended strand (participates in β ladder)trans-133.3135.4-171.4-159.878.9000108.1V605 L606 R607 M731V605-L655 HydrophobicContact CG1-CD1 3.39Å; V605-L655 HydrophobicContact CG1-CD2 4.04Å; V605-L655 HydrophobicContact CG1-CG 3.65Å; L606-L655 CarbonylContact O-C 3.42Å; L606-L655 WeakPolarHBondContact O-CA 3.09Å; R607-L655 HydrophobicContact CG-CD1 3.59Å; L655-M731 HydrophobicContact CD1-CB 4.41Å; L655-M731 HydrophobicContact CD2-CB 3.76Å; L655-M731 HydrophobicContact CD2-CG 4.08Å
656Y87.4Confident84.9Confident36 Ų3649.8 Ų49.814%0.14129%0.286CS..EExtended strand (participates in β ladder)trans-110.6126.8159.6166.6-93.5000107.3V605 L606 F647 L649 P659V605-Y656 CarbonylContact C-O 3.52Å; V605-Y656 WeakPolarHBondContact CA-O 2.87Å; V605-Y656 WeakPolarHBondContact CG1-O 3.48Å; L606-Y656 PolarHBondContact N-O 2.91Å; L606-Y656 PolarHBondContact O-N 2.93Å; F647-Y656 HydrophobicContact CB-CD2 4.15Å; F647-Y656 HydrophobicContact CB-CE2 3.41Å; F647-Y656 VanDerWaalsContact CB-CE2 3.41Å; F647-Y656 HydrophobicContact CD1-CD1 4.22Å; F647-Y656 AromaticContact CD1-CE1 3.47Å; F647-Y656 HydrophobicContact CD1-CE1 3.47Å; F647-Y656 VanDerWaalsContact CD1-CE1 3.47Å; F647-Y656 AromaticContact CD1-CE2 3.86Å; F647-Y656 HydrophobicContact CD1-CE2 3.86Å; F647-Y656 AromaticContact CD1-CZ 3.25Å; F647-Y656 VanDerWaalsContact CD1-OH 3.26Å; F647-Y656 WeakPolarHBondContact CD1-OH 2.74Å; F647-Y656 HydrophobicContact CD2-CD1 4.06Å; F647-Y656 AromaticContact CD2-CD2 3.71Å; F647-Y656 HydrophobicContact CD2-CD2 3.71Å; F647-Y656 HydrophobicContact CD2-CE1 4.09Å; F647-Y656 AromaticContact CD2-CE2 3.73Å; F647-Y656 HydrophobicContact CD2-CE2 3.73Å; F647-Y656 AromaticContact CD2-CG 3.88Å; F647-Y656 HydrophobicContact CD2-CG 3.88Å; F647-Y656 AromaticContact CD2-CZ 3.92Å; F647-Y656 AromaticContact CE1-CD1 3.92Å; F647-Y656 HydrophobicContact CE1-CD1 3.92Å; F647-Y656 AromaticContact CE1-CE1 3.39Å; F647-Y656 HydrophobicContact CE1-CE1 3.39Å; F647-Y656 AromaticContact CE1-CZ 3.73Å; F647-Y656 AromaticContact CE2-CD1 3.79Å; F647-Y656 HydrophobicContact CE2-CD1 3.79Å; F647-Y656 HydrophobicContact CE2-CD2 4.2Å; F647-Y656 HydrophobicContact CE2-CE1 4.04Å; F647-Y656 HydrophobicContact CE2-CE2 4.43Å; F647-Y656 AromaticContact CE2-CG 3.88Å; F647-Y656 HydrophobicContact CE2-CG 3.88Å; F647-Y656 HydrophobicContact CG-CD1 4.27Å; F647-Y656 AromaticContact CG-CD2 3.9Å; F647-Y656 HydrophobicContact CG-CD2 3.9Å; F647-Y656 AromaticContact CG-CE1 3.82Å; F647-Y656 HydrophobicContact CG-CE1 3.82Å; F647-Y656 AromaticContact CG-CE2 3.4Å; F647-Y656 HydrophobicContact CG-CE2 3.4Å; F647-Y656 HydrophobicContact CG-CG 4.31Å; F647-Y656 AromaticContact CG-CZ 3.35Å; F647-Y656 AromaticContact CZ-CD1 3.7Å; F647-Y656 HydrophobicContact CZ-CD1 3.7Å; F647-Y656 AromaticContact CZ-CE1 3.69Å; F647-Y656 HydrophobicContact CZ-CE1 3.69Å; F647-Y656 HydrophobicContact CZ-CG 4.28Å; L649-Y656 HydrophobicContact CD2-CG 4.14Å; Y656-P659 WeakPolarHBondContact OH-CD 3.12Å
657D84.7Confident84.8Confident58 Ų5850.5 Ų50.531%0.3129%0.294SS..EExtended strand (participates in β ladder)trans-114.1126.9177.3-167.4-23.8000108.1H603 V605 R727H603-D657 WeakPolarHBondContact CB-OD1 3.18Å; H603-D657 IonicContact CG-OD1 3.09Å; H603-D657 IonicContact ND1-OD1 3.91Å; V605-D657 HydrophobicContact CG2-CB 4.42Å; D657-R727 VanDerWaalsContact CG-NH2 3.27Å; D657-R727 IonicContact OD1-NH2 3.62Å; D657-R727 PolarHBondContact OD1-NH2 2.79Å; D657-R727 VanDerWaalsContact OD1-NH2 3.08Å; D657-R727 IonicContact OD2-CZ 2.8Å; D657-R727 IonicContact OD2-NE 3.55Å; D657-R727 IonicContact OD2-NH2 2.97Å; D657-R727 PolarHBondContact OD2-NH2 2.65Å
658S83.7Confident84.7Confident0 Ų051 Ų510%030%0.298CS..EExtended strand (participates in β ladder)trans-71.2127.1-174.8680000111H603 V604 S660H603-S658 WeakPolarHBondContact CA-OG 3.34Å; H603-S658 PolarHBondContact ND1-O 3.33Å; V604-S658 PolarHBondContact N-OG 3.09Å; V604-S658 WeakPolarHBondContact O-CB 2.96Å; V604-S658 PolarHBondContact O-N 2.87Å; S658-S660 WeakPolarHBondContact CB-O 3.36Å; S658-S660 PolarHBondContact O-N 3.09Å; S658-S660 PolarHBondContact OG-O 3.02Å
659P79.6Confident84.7Confident120 Ų12053 Ų5378%0.77931%0.305SS*.EExtended strand (participates in β ladder)trans-69.7-22.2179.628-34.6000112.7Y656Y656-P659 WeakPolarHBondContact OH-CD 3.12Å
660S83Confident84.8Confident49 Ų4953.1 Ų53.134%0.34331%0.305SS..EExtended strand (participates in β ladder)trans-101.5147.2170.150.50000110.8S658S658-S660 WeakPolarHBondContact CB-O 3.36Å; S658-S660 PolarHBondContact O-N 3.09Å; S658-S660 PolarHBondContact OG-O 3.02Å
661T87.4Confident85.2Confident39 Ų3949.3 Ų49.324%0.23929%0.292CS..EExtended strand (participates in β ladder)trans-89.5157.7169.2540000111.3D601 F602D601-T661 HydrophobicContact CB-CG2 4.06Å; D601-T661 PolarHBondContact OD1-OG1 3.1Å; F602-T661 CarbonylContact O-C 3.57Å; F602-T661 VanDerWaalsContact O-CA 3.24Å; F602-T661 WeakPolarHBondContact O-CA 3.32Å
662V89.3Confident85.9Confident0 Ų047 Ų470%028%0.277CS..EExtended strand (participates in β ladder)trans-118.7120.2170-177.10000107F602 V604 V623 R625 M645 L664F602-V662 PolarHBondContact N-O 3.49Å; F602-V662 PolarHBondContact O-N 3.46Å; V604-V662 HydrophobicContact CG2-CG2 4.06Å; V623-V662 HydrophobicContact CG1-CG1 4.25Å; V623-V662 HydrophobicContact CG2-CG1 4.36Å; V623-V662 HydrophobicContact CG2-CG2 4.39Å; R625-V662 VanDerWaalsContact NH2-CG1 3.25Å; M645-V662 HydrophobicContact CE-CG2 3.42Å; M645-V662 VanDerWaalsContact CE-CG2 3.42Å; M645-V662 HydrophobicContact SD-CG2 4.45Å; V662-L664 HydrophobicContact CG1-CD2 3.78Å; V662-L664 HydrophobicContact CG1-CG 4.31Å; V662-L664 PolarHBondContact O-N 3.3Å
663C90.8Very high86.8Confident8 Ų848.2 Ų48.25%0.05426%0.257CS..EExtended strand (participates in β ladder)trans-76.7123.6175.6-162.40000109.6M600 R625 C635M600-C663 VanDerWaalsContact O-CA 3.31Å; M600-C663 WeakPolarHBondContact O-CA 3.34Å; R625-C663 VanDerWaalsContact CZ-O 3.31Å; R625-C663 PolarHBondContact NH1-O 3.18Å; R625-C663 PolarHBondContact NH2-O 3.08Å; C635-C663 WeakPolarHBondContact CA-SG 3.11Å; C635-C663 HydrophobicContact CB-CB 3.71Å; C635-C663 WeakPolarHBondContact CB-SG 3.47Å; C635-C663 WeakPolarHBondContact SG-CB 3.06Å; C635-C663 CovalentContact SG-SG 2.04Å; C635-C663 PolarHBondContact SG-SG 3.04Å
664L90.5Very high87.4Confident0 Ų045.7 Ų45.70%024%0.24CC..EExtended strand (participates in β ladder)trans-120.6146.5-179.2-58.1176.1000110I596 A599 M600 F602 V623 V662 Y670 L697I596-L664 HydrophobicContact CD1-CB 4.25Å; I596-L664 HydrophobicContact CD1-CD1 3.91Å; I596-L664 HydrophobicContact CG1-CB 4.14Å; I596-L664 HydrophobicContact CG1-CD1 4.47Å; I596-L664 HydrophobicContact CG2-CB 4.29Å; A599-L664 VanDerWaalsContact CA-O 3.3Å; A599-L664 WeakPolarHBondContact CA-O 3.28Å; M600-L664 PolarHBondContact N-O 2.98Å; M600-L664 PolarHBondContact O-N 3.03Å; F602-L664 HydrophobicContact CB-CD1 4.46Å; F602-L664 HydrophobicContact CD2-CB 3.8Å; F602-L664 HydrophobicContact CD2-CD1 3.97Å; F602-L664 HydrophobicContact CD2-CG 4Å; F602-L664 HydrophobicContact CE2-CB 3.93Å; F602-L664 HydrophobicContact CG-CD1 4.34Å; V623-L664 HydrophobicContact CG1-CD2 4.28Å; V662-L664 HydrophobicContact CG1-CD2 3.78Å; V662-L664 HydrophobicContact CG1-CG 4.31Å; V662-L664 PolarHBondContact O-N 3.3Å; L664-Y670 HydrophobicContact CB-CE2 4Å; L664-Y670 HydrophobicContact CD2-CD1 4.04Å; L664-Y670 HydrophobicContact CD2-CD2 4.02Å; L664-Y670 HydrophobicContact CD2-CE1 3.93Å; L664-Y670 HydrophobicContact CD2-CE2 3.89Å; L664-Y670 HydrophobicContact CD2-CG 4.09Å; L664-Y670 HydrophobicContact CG-CE2 4.45Å; L664-L697 HydrophobicContact CD1-CD1 3.76Å; L664-L697 HydrophobicContact CD1-CD2 4.31Å
665E88.9Confident87.9Confident22 Ų2241.1 Ų41.110%0.10322%0.221CC..  trans-114148.6-172.7-62.9168.6134.700111A599 P629 D630 C635 V668 Y670A599-E665 HydrophobicContact CB-CG 4.17Å; P629-E665 WeakPolarHBondContact CA-OE2 3.41Å; D630-E665 PolarHBondContact N-OE1 3.31Å; C635-E665 HydrophobicContact CB-CG 3.92Å; E665-V668 HydrophobicContact CB-CG2 4.22Å; E665-Y670 WeakPolarHBondContact CB-OH 3.29Å; E665-Y670 PolarHBondContact N-OH 2.6Å
666P86.7Confident88.1Confident43 Ų4338.4 Ų38.428%0.27921%0.207SC..THydrogen-bonded Turntrans-68.1153.1178.929.6-35.3000111.9I596 V668I596-P666 VanDerWaalsContact O-CA 3.27Å; I596-P666 WeakPolarHBondContact O-CA 3.43Å; I596-P666 VanDerWaalsContact O-CB 3.28Å; I596-P666 WeakPolarHBondContact O-CB 3.48Å; P666-V668 PolarHBondContact O-N 2.96Å
667N83Confident87.9Confident159 Ų15940.8 Ų40.885%0.8522%0.222SC*.THydrogen-bonded Turntrans63.117.4-180-51.1-62.9000115.8
668V85.4Confident87.3Confident30 Ų3040.2 Ų40.218%0.18223%0.225CC..  trans-109.1128.9175-177.90000110.2P626 E665 P666 Y670P626-V668 HydrophobicContact CG-CG1 3.55Å; E665-V668 HydrophobicContact CB-CG2 4.22Å; P666-V668 PolarHBondContact O-N 2.96Å; V668-Y670 HydrophobicContact CB-CD2 4.37Å; V668-Y670 HydrophobicContact CB-CE1 4.35Å; V668-Y670 HydrophobicContact CB-CE2 3.64Å; V668-Y670 HydrophobicContact CG1-CD1 4.16Å; V668-Y670 HydrophobicContact CG1-CD2 4.25Å; V668-Y670 HydrophobicContact CG1-CE1 3.65Å; V668-Y670 HydrophobicContact CG1-CE2 3.78Å; V668-Y670 HydrophobicContact CG1-CG 4.43Å; V668-Y670 VanDerWaalsContact CG1-CZ 3.44Å; V668-Y670 WeakPolarHBondContact O-CD2 3.19Å
669Q88.1Confident86.8Confident74 Ų7441.4 Ų41.435%0.34623%0.23SC..  trans-84.3113.3171.5-178.9179.4-63.600109.9V592 V593 R594 P626 H671V592-Q669 HydrophobicContact CG1-CG 3.86Å; V593-Q669 CarbonylContact O-C 3.56Å; V593-Q669 VanDerWaalsContact O-CA 3.32Å; V593-Q669 WeakPolarHBondContact O-CA 3.48Å; R594-Q669 HydrophobicContact CG-CB 4.33Å; R594-Q669 HydrophobicContact CG-CG 3.93Å; R594-Q669 VanDerWaalsContact NH2-OE1 3.1Å; P626-Q669 WeakPolarHBondContact CD-O 3.44Å; Q669-H671 PolarHBondContact NE2-NE2 2.92Å
670Y91.1Very high86.3Confident1 Ų140.2 Ų40.20%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-99.1147.8174.2-56.4-84.7000110.8V593 I596 V623 R625 L664 E665 V668V593-Y670 HydrophobicContact CG1-CD2 4.23Å; V593-Y670 PolarHBondContact N-O 3.41Å; V593-Y670 PolarHBondContact O-N 2.84Å; I596-Y670 HydrophobicContact CG1-CE2 4.37Å; V623-Y670 HydrophobicContact CG1-CD1 4.34Å; R625-Y670 HydrophobicContact CB-CD1 4.19Å; R625-Y670 HydrophobicContact CB-CE1 4.12Å; R625-Y670 HydrophobicContact CG-CD1 3.91Å; R625-Y670 HydrophobicContact CG-CE1 3.82Å; L664-Y670 HydrophobicContact CB-CE2 4Å; L664-Y670 HydrophobicContact CD2-CD1 4.04Å; L664-Y670 HydrophobicContact CD2-CD2 4.02Å; L664-Y670 HydrophobicContact CD2-CE1 3.93Å; L664-Y670 HydrophobicContact CD2-CE2 3.89Å; L664-Y670 HydrophobicContact CD2-CG 4.09Å; L664-Y670 HydrophobicContact CG-CE2 4.45Å; E665-Y670 WeakPolarHBondContact CB-OH 3.29Å; E665-Y670 PolarHBondContact N-OH 2.6Å; V668-Y670 HydrophobicContact CB-CD2 4.37Å; V668-Y670 HydrophobicContact CB-CE1 4.35Å; V668-Y670 HydrophobicContact CB-CE2 3.64Å; V668-Y670 HydrophobicContact CG1-CD1 4.16Å; V668-Y670 HydrophobicContact CG1-CD2 4.25Å; V668-Y670 HydrophobicContact CG1-CE1 3.65Å; V668-Y670 HydrophobicContact CG1-CE2 3.78Å; V668-Y670 HydrophobicContact CG1-CG 4.43Å; V668-Y670 VanDerWaalsContact CG1-CZ 3.44Å; V668-Y670 WeakPolarHBondContact O-CD2 3.19Å
671H92.4Very high85.2Confident56 Ų5641 Ų4126%0.25922%0.217SC..EExtended strand (participates in β ladder)trans-111.5113.3169.2-74.3-83.5000109.3F591 I624 Q669F591-H671 WeakPolarHBondContact O-CA 3.43Å; I624-H671 HydrophobicContact CB-CB 4.11Å; I624-H671 WeakPolarHBondContact CB-O 3.33Å; I624-H671 PolarHBondContact N-O 3.45Å; I624-H671 PolarHBondContact O-N 2.85Å; I624-H671 VanDerWaalsContact O-N 3.07Å; Q669-H671 PolarHBondContact NE2-NE2 2.92Å
672I92.1Very high83.9Confident0 Ų042.9 Ų42.90%024%0.244CC..EExtended strand (participates in β ladder)trans-100.5105.9178.9-53.6-174.2000108.3F591 V593 V621 V623 L695 L697F591-I672 HydrophobicContact CB-CB 4.49Å; F591-I672 PolarHBondContact N-O 3.09Å; F591-I672 PolarHBondContact O-N 2.79Å; V593-I672 HydrophobicContact CG2-CD1 3.73Å; V593-I672 HydrophobicContact CG2-CG1 3.99Å; V621-I672 HydrophobicContact CG1-CG2 3.56Å; V623-I672 HydrophobicContact CG1-CG1 4.44Å; V623-I672 HydrophobicContact CG2-CD1 4.5Å; V623-I672 HydrophobicContact CG2-CG1 4.3Å; V623-I672 HydrophobicContact CG2-CG2 4.4Å; I672-L695 HydrophobicContact CB-CD1 4.27Å; I672-L695 HydrophobicContact CD1-CD2 4.13Å; I672-L695 HydrophobicContact CG2-CD1 3.67Å; I672-L697 HydrophobicContact CD1-CD2 3.98Å
673R93.3Very high82.6Confident106 Ų10651 Ų5140%0.428%0.28SS..EExtended strand (participates in β ladder)trans-98.8118.2-175.7179.4-174.2170.2-163.7-1.4110.6V588 L589 V621 D622V588-R673 HydrophobicContact CG1-CG 3.61Å; L589-R673 CarbonylContact O-C 3.52Å; L589-R673 WeakPolarHBondContact O-CA 3.48Å; V621-R673 CarbonylContact C-O 3.4Å; V621-R673 WeakPolarHBondContact CA-O 3.19Å; D622-R673 HydrophobicContact CB-CB 4.27Å; D622-R673 PolarHBondContact N-O 2.79Å; D622-R673 PolarHBondContact O-N 3.1Å
674V92.5Very high81.2Confident0 Ų055.1 Ų55.10%031%0.308CS..EExtended strand (participates in β ladder)trans-106.2117.3178.7-166.40000109.5V588 L589 F591 L606 V619 R620 V621 F676 L695V588-V674 CarbonylContact C-O 3.48Å; V588-V674 VanDerWaalsContact CA-O 3.31Å; V588-V674 WeakPolarHBondContact CA-O 3.46Å; L589-V674 HydrophobicContact CB-CB 4.46Å; L589-V674 PolarHBondContact N-O 2.8Å; L589-V674 PolarHBondContact O-N 3.23Å; F591-V674 HydrophobicContact CD2-CG2 3.87Å; F591-V674 HydrophobicContact CE2-CB 4.44Å; F591-V674 HydrophobicContact CE2-CG2 3.64Å; L606-V674 HydrophobicContact CD2-CG1 4.4Å; V619-V674 HydrophobicContact CG1-CG1 3.86Å; R620-V674 CarbonylContact O-C 3.45Å; R620-V674 WeakPolarHBondContact O-CA 3.29Å; V621-V674 HydrophobicContact CG2-CB 4.42Å; V621-V674 HydrophobicContact CG2-CG1 4.02Å; V621-V674 HydrophobicContact CG2-CG2 4.08Å; V674-F676 HydrophobicContact CB-CE2 4.2Å; V674-F676 HydrophobicContact CG1-CE2 3.68Å; V674-F676 HydrophobicContact CG1-CZ 3.66Å; V674-L695 HydrophobicContact CG2-CD1 4.04Å
675A91.5Very high80Confident6 Ų657.7 Ų57.75%0.0532%0.322CS..EExtended strand (participates in β ladder)trans-115.9126.5-176.300000112.4V588 V619 R620V588-A675 HydrophobicContact CG2-CB 3.94Å; V619-A675 WeakPolarHBondContact CA-O 3.34Å; R620-A675 HydrophobicContact CB-CB 4.49Å; R620-A675 PolarHBondContact N-O 3.11Å; R620-A675 PolarHBondContact O-N 3.43Å
676F89.5Confident79Confident0 Ų067 Ų670%036%0.356CS..EExtended strand (participates in β ladder)trans-101.481.9-174-65.3-88.6000110.8V583 G586 S587 L589 L606 W616 V619 L649 V674 I692V583-F676 HydrophobicContact CB-CD2 4.17Å; V583-F676 HydrophobicContact CB-CG 4.22Å; V583-F676 HydrophobicContact CG1-CD2 4.01Å; V583-F676 HydrophobicContact CG1-CE2 4Å; V583-F676 HydrophobicContact CG2-CD1 3.87Å; V583-F676 HydrophobicContact CG2-CD2 4.24Å; V583-F676 HydrophobicContact CG2-CE1 4.05Å; V583-F676 HydrophobicContact CG2-CE2 4.41Å; V583-F676 HydrophobicContact CG2-CG 3.98Å; V583-F676 HydrophobicContact CG2-CZ 4.32Å; G586-F676 PolarHBondContact N-O 2.94Å; S587-F676 PolarHBondContact O-N 3.25Å; L589-F676 HydrophobicContact CD1-CE2 3.88Å; L589-F676 HydrophobicContact CD1-CZ 4.37Å; L589-F676 HydrophobicContact CG-CE2 3.95Å; L606-F676 HydrophobicContact CD2-CZ 4.38Å; W616-F676 HydrophobicContact CZ2-CB 4.03Å; V619-F676 HydrophobicContact CG1-CD1 4.31Å; V619-F676 HydrophobicContact CG1-CE1 4.09Å; V619-F676 HydrophobicContact CG1-CZ 4.5Å; V619-F676 HydrophobicContact CG2-CD1 4Å; V619-F676 HydrophobicContact CG2-CE1 4.25Å; L649-F676 HydrophobicContact CD1-CE1 3.95Å; V674-F676 HydrophobicContact CB-CE2 4.2Å; V674-F676 HydrophobicContact CG1-CE2 3.68Å; V674-F676 HydrophobicContact CG1-CZ 3.66Å; F676-I692 HydrophobicContact CE1-CD1 3.58Å; F676-I692 HydrophobicContact CE1-CG1 4.1Å; F676-I692 HydrophobicContact CE2-CG1 4.27Å; F676-I692 HydrophobicContact CZ-CD1 3.53Å; F676-I692 HydrophobicContact CZ-CG1 3.61Å
677N82.2Confident78.3Confident85 Ų8569.1 Ų69.146%0.45537%0.372SS..EExtended strand (participates in β ladder)trans-75.5-53.9-163.3-65-62.2000115.2G618G618-N677 PolarHBondContact O-ND2 3.02Å
678A73.3Confident78.1Confident47 Ų4761.7 Ų61.739%0.38833%0.332SS..EExtended strand (participates in β ladder)trans-148.7138.8-17200000114Q617Q617-A678 PolarHBondContact N-O 3.08Å
679Y72.5Confident78.1Confident25 Ų2560.8 Ų60.810%0.09833%0.327CS..EExtended strand (participates in β ladder)trans-86.3153.1168.7-175.1-125000110.7E585 L612 A614 W616 T681 D685 A688E585-Y679 WeakPolarHBondContact OE1-CB 3.21Å; E585-Y679 PolarHBondContact OE1-N 3.34Å; L612-Y679 HydrophobicContact CB-CE2 4.01Å; L612-Y679 HydrophobicContact CD1-CD2 4.08Å; L612-Y679 HydrophobicContact CD1-CE2 3.76Å; L612-Y679 HydrophobicContact CD2-CE2 4.11Å; L612-Y679 HydrophobicContact CG-CE2 4.18Å; A614-Y679 HydrophobicContact CB-CE2 4.02Å; W616-Y679 HydrophobicContact CE3-CD2 4.44Å; Y679-T681 HydrophobicContact CD1-CG2 3.92Å; Y679-T681 HydrophobicContact CE1-CG2 3.8Å; Y679-T681 PolarHBondContact O-N 2.96Å; Y679-D685 HydrophobicContact CD1-CB 4.27Å; Y679-A688 HydrophobicContact CD1-CB 3.53Å; Y679-A688 HydrophobicContact CD2-CB 4.43Å; Y679-A688 HydrophobicContact CE1-CB 3.95Å; Y679-A688 HydrophobicContact CG-CB 3.79Å
680Q68.2Low78.1Confident95 Ų9557.3 Ų57.344%0.44431%0.311SS..THydrogen-bonded Turntrans-68.7-1-161.8-160.3170.73.900115.5A614 A615 Q617A614-Q680 HydrophobicContact CB-CB 4.33Å; A615-Q680 VanDerWaalsContact N-OE1 3.15Å; Q617-Q680 HydrophobicContact CG-CB 4.48Å; Q617-Q680 HydrophobicContact CG-CG 4.27Å
681T60.4Low78Confident66 Ų6658 Ų5841%0.40532%0.315SS..THydrogen-bonded Turntrans-80.9-16.2-173.644.10000115.1Y679 F683Y679-T681 HydrophobicContact CD1-CG2 3.92Å; Y679-T681 HydrophobicContact CE1-CG2 3.8Å; Y679-T681 PolarHBondContact O-N 2.96Å; T681-F683 WeakPolarHBondContact O-CD2 3.31Å; T681-F683 PolarHBondContact O-N 3.38Å; T681-F683 PolarHBondContact OG1-O 3.24Å
682G59.4Low78Confident78 Ų7855.3 Ų55.380%0.80430%0.302SS*.SBendtrans68.8-4.7-176.800000115.2
683F62.3Low77.9Confident171 Ų17155.4 Ų55.475%0.7530%0.303SS*.SBendtrans-119.2138.6168.5-64.3-84000108T681 D685T681-F683 WeakPolarHBondContact O-CD2 3.31Å; T681-F683 PolarHBondContact O-N 3.38Å; T681-F683 PolarHBondContact OG1-O 3.24Å; F683-D685 PolarHBondContact O-N 3.18Å
684S60.9Low77.7Confident93 Ų9350.4 Ų50.465%0.6528%0.284SS*.  trans-61.7111.3179.1-1800000110.8E585E585-S684 WeakPolarHBondContact OE2-CA 3.45Å; E585-S684 PolarHBondContact OE2-OG 3.04Å; E585-S684 VanDerWaalsContact OE2-OG 3.12Å
685D66.2Low77.7Confident54 Ų5450.4 Ų50.429%0.28928%0.284SS..  trans-99.198.9176.8-173.8-10.6000108.9E585 Y679 F683 S687 A688E585-D685 PolarHBondContact OE2-N 3.38Å; Y679-D685 HydrophobicContact CD1-CB 4.27Å; F683-D685 PolarHBondContact O-N 3.18Å; D685-S687 PolarHBondContact O-N 3.26Å; D685-S687 WeakPolarHBondContact OD1-CA 3.18Å; D685-S687 WeakPolarHBondContact OD1-CB 3.11Å; D685-S687 PolarHBondContact OD1-N 3.49Å; D685-S687 PolarHBondContact OD1-OG 3.48Å; D685-S687 PolarHBondContact OD2-OG 3.39Å; D685-A688 HydrophobicContact CB-CB 3.94Å; D685-A688 WeakPolarHBondContact O-CB 3.08Å; D685-A688 PolarHBondContact O-N 3.23Å; D685-A688 PolarHBondContact OD1-N 2.87Å
686R67.9Low77.7Confident218 Ų21850.1 Ų50.182%0.82328%0.282SS*.THydrogen-bonded Turntrans-64.1-11.5178.8-64.6-175.6177.2-170.8-1.5113.9R584R584-R686 PolarHBondContact NH1-O 2.78Å
687S72.7Confident77.7Confident88 Ų8850.1 Ų50.162%0.61528%0.282SS*.THydrogen-bonded Turntrans-92.5-19.2174.177.40000113.3D685 S689D685-S687 PolarHBondContact O-N 3.26Å; D685-S687 WeakPolarHBondContact OD1-CA 3.18Å; D685-S687 WeakPolarHBondContact OD1-CB 3.11Å; D685-S687 PolarHBondContact OD1-N 3.49Å; D685-S687 PolarHBondContact OD1-OG 3.48Å; D685-S687 PolarHBondContact OD2-OG 3.39Å; S687-S689 PolarHBondContact O-N 2.68Å
688A77.4Confident77.9Confident2 Ų246.1 Ų46.12%0.01726%0.26CS..  trans-64.7119.7176.600000110.5L612 Y679 D685L612-A688 HydrophobicContact CD2-CB 4.25Å; Y679-A688 HydrophobicContact CD1-CB 3.53Å; Y679-A688 HydrophobicContact CD2-CB 4.43Å; Y679-A688 HydrophobicContact CE1-CB 3.95Å; Y679-A688 HydrophobicContact CG-CB 3.79Å; D685-A688 HydrophobicContact CB-CB 3.94Å; D685-A688 WeakPolarHBondContact O-CB 3.08Å; D685-A688 PolarHBondContact O-N 3.23Å; D685-A688 PolarHBondContact OD1-N 2.87Å
689S85.9Confident78.5Confident11 Ų1144 Ų448%0.07724%0.242CC..EExtended strand (participates in β ladder)trans-148.9152.6177.753.50000111.3R582 V583 L612 S687R582-S689 PolarHBondContact NH1-OG 2.73Å; V583-S689 WeakPolarHBondContact O-CA 3.49Å; V583-S689 WeakPolarHBondContact O-CB 3.15Å; L612-S689 WeakPolarHBondContact CG-O 3.24Å; S687-S689 PolarHBondContact O-N 2.68Å
690M87.8Confident79.1Confident1 Ų143.6 Ų43.61%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-130.8151.5177.6-176.5175.3-72.900108.6R582 V583 Y608 E609 L612 W616 L649 I692R582-M690 CarbonylContact C-O 3.52Å; R582-M690 WeakPolarHBondContact CA-O 3.19Å; V583-M690 HydrophobicContact CG2-CB 3.93Å; V583-M690 WeakPolarHBondContact CG2-O 3.39Å; V583-M690 PolarHBondContact N-O 3.36Å; V583-M690 PolarHBondContact O-N 2.86Å; Y608-M690 HydrophobicContact CD2-CE 4.29Å; Y608-M690 HydrophobicContact CD2-CG 4.32Å; Y608-M690 HydrophobicContact CD2-SD 3.67Å; Y608-M690 HydrophobicContact CE2-CE 4.39Å; Y608-M690 HydrophobicContact CE2-SD 4.27Å; Y608-M690 HydrophobicContact CG-SD 4.29Å; E609-M690 WeakPolarHBondContact O-CG 3.34Å; L612-M690 HydrophobicContact CD1-CE 4.27Å; W616-M690 HydrophobicContact CB-CE 3.68Å; W616-M690 HydrophobicContact CE3-CB 4.06Å; W616-M690 HydrophobicContact CE3-CE 4.16Å; W616-M690 HydrophobicContact CG-CE 4.42Å; W616-M690 HydrophobicContact CZ3-CB 4.2Å; L649-M690 HydrophobicContact CB-CE 3.86Å; L649-M690 HydrophobicContact CB-SD 4.01Å; L649-M690 HydrophobicContact CD1-CE 4.44Å; L649-M690 HydrophobicContact CD1-SD 3.52Å; L649-M690 VanDerWaalsContact CD1-SD 3.52Å; L649-M690 HydrophobicContact CG-SD 4.42Å; M690-I692 HydrophobicContact CG-CD1 4.09Å; M690-I692 HydrophobicContact SD-CD1 4.06Å
691L89.6Confident79.6Confident15 Ų1540.4 Ų40.48%0.07923%0.229CC..EExtended strand (participates in β ladder)trans-99.5122.8174.7-61.5-177.1000108.5F580 R582 Y608 E609F580-L691 HydrophobicContact CB-CB 3.89Å; F580-L691 HydrophobicContact CB-CD1 4.49Å; F580-L691 HydrophobicContact CB-CD2 4.16Å; F580-L691 HydrophobicContact CB-CG 4.4Å; F580-L691 HydrophobicContact CD1-CB 3.74Å; F580-L691 HydrophobicContact CD2-CD1 4.1Å; F580-L691 HydrophobicContact CE1-CB 4.33Å; F580-L691 HydrophobicContact CE2-CD1 4.4Å; F580-L691 HydrophobicContact CG-CB 3.85Å; F580-L691 HydrophobicContact CG-CD1 4.19Å; F580-L691 HydrophobicContact CG-CG 4.47Å; R582-L691 HydrophobicContact CB-CD2 3.8Å; R582-L691 HydrophobicContact CG-CD2 4.18Å; Y608-L691 CarbonylContact C-O 3.56Å; Y608-L691 VanDerWaalsContact CA-O 3.29Å; Y608-L691 WeakPolarHBondContact CA-O 3.39Å; Y608-L691 WeakPolarHBondContact CB-O 3.34Å; E609-L691 HydrophobicContact CB-CB 4.36Å; E609-L691 PolarHBondContact N-O 2.66Å; E609-L691 PolarHBondContact O-N 2.97Å
692I91.6Very high80.4Confident0 Ų041.4 Ų41.40%024%0.239CC..EExtended strand (participates in β ladder)trans-102.4132.3173.1-49.6-56.8000107.9A551 F580 V581 V583 L589 L606 F676 M690A551-I692 HydrophobicContact CB-CB 4.16Å; A551-I692 HydrophobicContact CB-CG2 4Å; A551-I692 WeakPolarHBondContact CB-O 3.18Å; F580-I692 WeakPolarHBondContact CA-O 3.33Å; V581-I692 PolarHBondContact N-O 3.41Å; V581-I692 PolarHBondContact O-N 2.85Å; V583-I692 HydrophobicContact CB-CG1 4.49Å; V583-I692 HydrophobicContact CG1-CG1 3.85Å; V583-I692 HydrophobicContact CG2-CD1 4.1Å; V583-I692 HydrophobicContact CG2-CG1 3.78Å; L589-I692 HydrophobicContact CD1-CB 3.92Å; L589-I692 HydrophobicContact CD1-CG1 3.99Å; L589-I692 HydrophobicContact CD1-CG2 3.83Å; L606-I692 HydrophobicContact CD1-CG2 4.03Å; L606-I692 HydrophobicContact CD2-CD1 4.46Å; L606-I692 HydrophobicContact CG-CG2 4.37Å; F676-I692 HydrophobicContact CE1-CD1 3.58Å; F676-I692 HydrophobicContact CE1-CG1 4.1Å; F676-I692 HydrophobicContact CE2-CG1 4.27Å; F676-I692 HydrophobicContact CZ-CD1 3.53Å; F676-I692 HydrophobicContact CZ-CG1 3.61Å; M690-I692 HydrophobicContact CG-CD1 4.09Å; M690-I692 HydrophobicContact SD-CD1 4.06Å
693D89.9Confident81.2Confident3 Ų340.2 Ų40.22%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-94.5-72.3-178.5169.269.1000109.1A551 W575 T576 F580 R607A551-D693 WeakPolarHBondContact CB-O 3.19Å; A551-D693 PolarHBondContact N-O 2.78Å; W575-D693 WeakPolarHBondContact CA-OD1 3.39Å; W575-D693 WeakPolarHBondContact CB-OD1 3.05Å; T576-D693 PolarHBondContact N-OD1 2.85Å; T576-D693 PolarHBondContact OG1-OD2 2.9Å; F580-D693 HydrophobicContact CD1-CB 3.98Å; F580-D693 HydrophobicContact CE1-CB 3.95Å; R607-D693 HydrophobicContact CB-CB 3.81Å; R607-D693 WeakPolarHBondContact CB-OD2 3.47Å; R607-D693 WeakPolarHBondContact CD-OD2 3.37Å; R607-D693 PolarHBondContact O-N 3.12Å
694S91Very high82Confident0 Ų032.2 Ų32.20%018%0.183CC..EExtended strand (participates in β ladder)trans-153.9164.3-174.358.50000113.3Y549 E550 T576 R607Y549-S694 CarbonylContact O-C 3.55Å; Y549-S694 VanDerWaalsContact O-CA 3.27Å; Y549-S694 WeakPolarHBondContact O-CA 3.08Å; Y549-S694 WeakPolarHBondContact O-CB 3.47Å; E550-S694 WeakPolarHBondContact OE2-CB 3.39Å; T576-S694 PolarHBondContact OG1-OG 2.86Å; R607-S694 WeakPolarHBondContact CD-OG 2.96Å; R607-S694 PolarHBondContact N-O 3.38Å
695L92.1Very high82.6Confident1 Ų130.8 Ų30.81%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-109.1130.6169.7-175.6147.5000109.1T548 Y549 F591 V604 V605 L606 I672 V674 L697T548-L695 CarbonylContact C-O 3.45Å; T548-L695 WeakPolarHBondContact CA-O 3.05Å; Y549-L695 HydrophobicContact CD2-CD2 4.09Å; Y549-L695 WeakPolarHBondContact CD2-O 3.41Å; Y549-L695 PolarHBondContact N-O 2.03Å; Y549-L695 PolarHBondContact O-N 2.85Å; F591-L695 HydrophobicContact CD1-CB 3.99Å; F591-L695 HydrophobicContact CD2-CB 4.22Å; F591-L695 HydrophobicContact CD2-CD1 3.82Å; F591-L695 HydrophobicContact CE1-CB 3.89Å; F591-L695 HydrophobicContact CE2-CB 4.14Å; F591-L695 HydrophobicContact CE2-CD1 4.12Å; F591-L695 HydrophobicContact CG-CB 4.15Å; F591-L695 HydrophobicContact CG-CD1 4.25Å; F591-L695 HydrophobicContact CZ-CB 3.97Å; V604-L695 HydrophobicContact CG1-CD1 4.02Å; V604-L695 HydrophobicContact CG1-CD2 4.32Å; V604-L695 HydrophobicContact CG1-CG 4.21Å; V605-L695 CarbonylContact O-C 3.53Å; V605-L695 WeakPolarHBondContact O-CA 3.2Å; L606-L695 HydrophobicContact CD1-CB 4.36Å; I672-L695 HydrophobicContact CB-CD1 4.27Å; I672-L695 HydrophobicContact CD1-CD2 4.13Å; I672-L695 HydrophobicContact CG2-CD1 3.67Å; V674-L695 HydrophobicContact CG2-CD1 4.04Å; L695-L697 HydrophobicContact CD2-CD2 4.08Å; L695-L697 HydrophobicContact CD2-CG 4.32Å
696V90.1Very high83.2Confident0 Ų028.7 Ų28.70%017%0.166CC..EExtended strand (participates in β ladder)trans-123.1138.8-176.4-171.80000110.1D545 L547 T548 V605 L698D545-V696 HydrophobicContact CB-CG1 3.72Å; L547-V696 WeakPolarHBondContact O-CA 3.31Å; T548-V696 HydrophobicContact CG2-CG2 4.18Å; T548-V696 WeakPolarHBondContact OG1-CG2 3.36Å; V605-V696 HydrophobicContact CB-CB 4.13Å; V605-V696 WeakPolarHBondContact CB-O 3.31Å; V605-V696 HydrophobicContact CG1-CB 4.47Å; V605-V696 PolarHBondContact N-O 3.03Å; V605-V696 PolarHBondContact O-N 3.4Å; V696-L698 HydrophobicContact CG1-CD2 4.04Å; V696-L698 HydrophobicContact CG1-CG 4.44Å
697L90Very high83.8Confident0 Ų019.2 Ų19.20%013%0.131CC..EExtended strand (participates in β ladder)trans-106.5116.3174.4-59.8175.7000110.6L547 Y549 V593 I596 F602 H603 V604 L664 I672 L695L547-L697 HydrophobicContact CB-CB 3.9Å; L547-L697 HydrophobicContact CD1-CB 4.16Å; L547-L697 PolarHBondContact O-N 2.93Å; Y549-L697 HydrophobicContact CE2-CD1 3.9Å; Y549-L697 HydrophobicContact CE2-CG 4.17Å; V593-L697 HydrophobicContact CG1-CD1 3.74Å; V593-L697 HydrophobicContact CG2-CD1 4.18Å; I596-L697 HydrophobicContact CD1-CD1 3.93Å; F602-L697 HydrophobicContact CB-CB 4.43Å; F602-L697 HydrophobicContact CD1-CB 4Å; F602-L697 HydrophobicContact CG-CB 4.44Å; H603-L697 WeakPolarHBondContact O-CA 3.03Å; V604-L697 HydrophobicContact CB-CD2 4.5Å; V604-L697 HydrophobicContact CG2-CD2 3.9Å; L664-L697 HydrophobicContact CD1-CD1 3.76Å; L664-L697 HydrophobicContact CD1-CD2 4.31Å; I672-L697 HydrophobicContact CD1-CD2 3.98Å; L695-L697 HydrophobicContact CD2-CD2 4.08Å; L695-L697 HydrophobicContact CD2-CG 4.32Å
698L87.4Confident83.6Confident0 Ų018.6 Ų18.60%013%0.126CC..EExtended strand (participates in β ladder)trans-110.3120.2-176.4-67.9-174.3000113.6L544 F602 H603 V605 V696 M731L544-L698 HydrophobicContact CB-CD2 4.42Å; L544-L698 VanDerWaalsContact O-CD2 3.23Å; L544-L698 WeakPolarHBondContact O-CD2 3.1Å; F602-L698 CarbonylContact C-O 3.59Å; F602-L698 VanDerWaalsContact CA-O 3.24Å; F602-L698 WeakPolarHBondContact CA-O 3.29Å; H603-L698 HydrophobicContact CB-CB 4.27Å; H603-L698 PolarHBondContact N-O 2.83Å; H603-L698 PolarHBondContact O-N 2.03Å; V605-L698 HydrophobicContact CG2-CD1 3.72Å; V605-L698 HydrophobicContact CG2-CG 3.9Å; V696-L698 HydrophobicContact CG1-CD2 4.04Å; V696-L698 HydrophobicContact CG1-CG 4.44Å; L698-M731 HydrophobicContact CD1-CE 4.28Å; L698-M731 HydrophobicContact CD1-CG 3.99Å; L698-M731 HydrophobicContact CD1-SD 3.57Å; L698-M731 VanDerWaalsContact CD1-SD 3.57Å; L698-M731 HydrophobicContact CD2-CE 3.62Å; L698-M731 HydrophobicContact CD2-SD 3.63Å; L698-M731 HydrophobicContact CG-SD 4Å
699P86.1Confident83Confident2 Ų220.8 Ų20.81%0.01315%0.15CC..EExtended strand (participates in β ladder)trans-52.1137.6170-33.441.1000114.6M600 F602 I704 F754M600-P699 HydrophobicContact SD-CB 3.63Å; M600-P699 HydrophobicContact SD-CG 3.9Å; F602-P699 HydrophobicContact CD1-CG 4.08Å; F602-P699 HydrophobicContact CE1-CG 3.76Å; P699-I704 HydrophobicContact CB-CD1 4.23Å; P699-F754 HydrophobicContact CB-CD1 4.13Å; P699-F754 HydrophobicContact CB-CE1 4.33Å; P699-F754 HydrophobicContact CG-CD1 3.69Å; P699-F754 HydrophobicContact CG-CD2 4.09Å; P699-F754 HydrophobicContact CG-CE1 3.63Å; P699-F754 HydrophobicContact CG-CE2 4.08Å; P699-F754 HydrophobicContact CG-CG 3.93Å; P699-F754 HydrophobicContact CG-CZ 3.85Å
700S83.6Confident81.6Confident17 Ų1727.2 Ų27.212%0.11919%0.191CC..  trans-68.8128.7170.7-177.30000111.4D601 S702 S703 I704D601-S700 PolarHBondContact O-N 3.31Å; S700-S702 PolarHBondContact O-N 2.89Å; S700-S702 VanDerWaalsContact O-N 3.13Å; S700-S702 PolarHBondContact OG-OG 2.86Å; S700-S702 VanDerWaalsContact OG-OG 3.08Å; S700-S703 PolarHBondContact O-N 2.91Å; S700-S703 PolarHBondContact O-OG 2.95Å; S700-I704 WeakPolarHBondContact O-CG1 2.9Å
701L79.4Confident80.3Confident29 Ų2935.7 Ų35.715%0.15222%0.223CC..G310 helixtrans-62-22.9-177.7-61.9176.3000113.5S703 I704 F707 Y721L701-S703 VanDerWaalsContact C-N 3.32Å; L701-I704 HydrophobicContact CD2-CD1 4.14Å; L701-F707 HydrophobicContact CD2-CE2 4.21Å; L701-Y721 HydrophobicContact CD1-CD1 4.2Å; L701-Y721 HydrophobicContact CD1-CE1 3.87Å; L701-Y721 HydrophobicContact CD2-CD1 4.36Å; L701-Y721 HydrophobicContact CD2-CE1 3.66Å; L701-Y721 HydrophobicContact CG-CE1 4.45Å
702S76.8Confident79.2Confident86 Ų8641.2 Ų41.260%0.60125%0.252SS*.G310 helixtrans-75.4-17.2179.852.70000114.3S700S700-S702 PolarHBondContact O-N 2.89Å; S700-S702 VanDerWaalsContact O-N 3.13Å; S700-S702 PolarHBondContact OG-OG 2.86Å; S700-S702 VanDerWaalsContact OG-OG 3.08Å
703S76.3Confident78.2Confident53 Ų5344.9 Ų44.937%0.37127%0.272SS..G310 helixtrans-94.23.3177.528.40000113.7S700 L701S700-S703 PolarHBondContact O-N 2.91Å; S700-S703 PolarHBondContact O-OG 2.95Å; L701-S703 VanDerWaalsContact C-N 3.32Å
704I79.4Confident77.2Confident4 Ų444.9 Ų44.92%0.02127%0.273CS..  trans-96.2125.2-169.6-63.9-174.5000110.8P699 S700 L701 V706 F707 S708 V750 S753P699-I704 HydrophobicContact CB-CD1 4.23Å; S700-I704 WeakPolarHBondContact O-CG1 2.9Å; L701-I704 HydrophobicContact CD2-CD1 4.14Å; I704-V706 HydrophobicContact CG2-CB 4.42Å; I704-V706 PolarHBondContact O-N 2.99Å; I704-F707 HydrophobicContact CB-CD2 4.17Å; I704-F707 HydrophobicContact CG2-CD2 3.95Å; I704-F707 HydrophobicContact CG2-CE2 4.22Å; I704-F707 PolarHBondContact O-N 3.24Å; I704-S708 PolarHBondContact O-OG 2.9Å; I704-V750 HydrophobicContact CD1-CG1 3.71Å; I704-V750 HydrophobicContact CG2-CG1 4.14Å; I704-V750 HydrophobicContact CG2-CG2 4.47Å; I704-S753 VanDerWaalsContact CG2-OG 3.27Å; I704-S753 WeakPolarHBondContact CG2-OG 3.39Å
705A74.1Confident76.6Confident63 Ų6350.1 Ų50.152%0.52130%0.297SS..G310 helixtrans-64.6-33.5-171.600000113.8F707 S708A705-F707 PolarHBondContact O-N 2.88Å; A705-F707 VanDerWaalsContact O-N 3.12Å; A705-S708 PolarHBondContact O-N 2.04Å
706V78.2Confident76.1Confident9 Ų956.6 Ų56.66%0.05532%0.322CS..G310 helixtrans-58.5-28.8-179.3176.90000113I704 R717 P749I704-V706 HydrophobicContact CG2-CB 4.42Å; I704-V706 PolarHBondContact O-N 2.99Å; V706-R717 PolarHBondContact O-NE 2.73Å; V706-R717 VanDerWaalsContact O-NE 3.12Å; V706-R717 PolarHBondContact O-NH2 3Å; V706-R717 VanDerWaalsContact O-NH2 3.09Å; V706-P749 HydrophobicContact CG1-CB 4.37Å; V706-P749 HydrophobicContact CG2-CB 4.07Å; V706-P749 WeakPolarHBondContact CG2-O 3.47Å
707F81.4Confident75.8Confident20 Ų2059 Ų599%0.08833%0.332CS..G310 helixtrans-97.97.9178.8-56.3-49.4000113.7L701 I704 A705 R717 R718 Y721 V750L701-F707 HydrophobicContact CD2-CE2 4.21Å; I704-F707 HydrophobicContact CB-CD2 4.17Å; I704-F707 HydrophobicContact CG2-CD2 3.95Å; I704-F707 HydrophobicContact CG2-CE2 4.22Å; I704-F707 PolarHBondContact O-N 3.24Å; A705-F707 PolarHBondContact O-N 2.88Å; A705-F707 VanDerWaalsContact O-N 3.12Å; F707-R717 HydrophobicContact CD1-CB 4.34Å; F707-R717 HydrophobicContact CE1-CB 4.31Å; F707-R718 HydrophobicContact CB-CB 4.26Å; F707-R718 HydrophobicContact CD1-CB 3.69Å; F707-R718 HydrophobicContact CD1-CG 4.3Å; F707-R718 HydrophobicContact CE1-CB 4.34Å; F707-R718 HydrophobicContact CG-CB 4.16Å; F707-R718 HydrophobicContact CG-CG 4.39Å; F707-Y721 HydrophobicContact CE1-CG 4.33Å; F707-Y721 HydrophobicContact CE2-CD1 4.48Å; F707-Y721 HydrophobicContact CE2-CG 4.38Å; F707-Y721 HydrophobicContact CZ-CD1 4.11Å; F707-Y721 AromaticContact CZ-CD2 3.84Å; F707-Y721 HydrophobicContact CZ-CD2 3.84Å; F707-Y721 AromaticContact CZ-CG 3.6Å; F707-Y721 HydrophobicContact CZ-CG 3.6Å; F707-V750 HydrophobicContact CE1-CG2 4.33Å; F707-V750 HydrophobicContact CE2-CG1 4.47Å; F707-V750 HydrophobicContact CE2-CG2 3.5Å; F707-V750 VanDerWaalsContact CE2-CG2 3.5Å; F707-V750 HydrophobicContact CZ-CG2 3.36Å
708S68Low75.4Confident74 Ų7463.8 Ų63.852%0.51735%0.35SS..  trans-126.5104.7-170.7-58.20000111.3I704 A705I704-S708 PolarHBondContact O-OG 2.9Å; A705-S708 PolarHBondContact O-N 2.04Å
709G63.9Low75.3Confident49 Ų4971 Ų7151%0.50538%0.377SS..SBendtrans178.1166.7176.900000115.2R711G709-R711 VanDerWaalsContact C-N 3.33Å; G709-R711 PolarHBondContact O-N 3.19Å
710P57.7Low75.3Confident145 Ų14572.5 Ų72.594%0.94238%0.384SS*.SBendtrans-86.317.5-171.835.5-37.6000115.5
711R60.6Low75.5Confident179 Ų17971.9 Ų71.968%0.67538%0.379SS*.SBendtrans-116.2149.5177.7-68.8-172.5176-177.5-2.8111.3G709 D713 A714G709-R711 VanDerWaalsContact C-N 3.33Å; G709-R711 PolarHBondContact O-N 3.19Å; R711-D713 HydrophobicContact CB-CB 4.42Å; R711-D713 WeakPolarHBondContact CB-OD2 3.21Å; R711-D713 WeakPolarHBondContact CD-OD2 3.3Å; R711-D713 PolarHBondContact O-N 2.04Å; R711-D713 VanDerWaalsContact O-N 3.14Å; R711-A714 PolarHBondContact O-N 1.75Å; R711-A714 VanDerWaalsContact O-N 3.09Å
712D66.1Low75.8Confident131 Ų13175 Ų7570%0.70139%0.393SS*.Hα-helixtrans-53.5-33.6175.7-77.2-36.9000112.2A714 Q715 Y716D712-A714 PolarHBondContact O-N 2.7Å; D712-A714 VanDerWaalsContact O-N 3.16Å; D712-Q715 PolarHBondContact O-N 3.5Å; D712-Q715 VanDerWaalsContact O-N 3.12Å; D712-Y716 PolarHBondContact O-N 2.94Å
713D70Confident76.3Confident77 Ų7777.5 Ų77.541%0.41240%0.395SS..Hα-helixtrans-49.7-38.9176.2-27.4-30000113.3R711 Y716 R717R711-D713 HydrophobicContact CB-CB 4.42Å; R711-D713 WeakPolarHBondContact CB-OD2 3.21Å; R711-D713 WeakPolarHBondContact CD-OD2 3.3Å; R711-D713 PolarHBondContact O-N 2.04Å; R711-D713 VanDerWaalsContact O-N 3.14Å; D713-Y716 PolarHBondContact O-N 3.05Å; D713-R717 WeakPolarHBondContact O-CG 3.46Å; D713-R717 PolarHBondContact O-N 2.86Å; D713-R717 VanDerWaalsContact O-N 3.07Å
714A69.8Low77Confident4 Ų478.4 Ų78.43%0.03339%0.392CS..Hα-helixtrans-73.3-38.8-177.700000112.1R711 D712 R718R711-A714 PolarHBondContact O-N 1.75Å; R711-A714 VanDerWaalsContact O-N 3.09Å; D712-A714 PolarHBondContact O-N 2.7Å; D712-A714 VanDerWaalsContact O-N 3.16Å; A714-R718 PolarHBondContact O-N 3.21Å
715Q77.4Confident77.4Confident110 Ų11083.8 Ų83.851%0.51442%0.417SS..Hα-helixtrans-69-36.6172.5-67.8-166.817.500111.7D712 R718 R719D712-Q715 PolarHBondContact O-N 3.5Å; D712-Q715 VanDerWaalsContact O-N 3.12Å; Q715-R718 PolarHBondContact O-N 3.17Å; Q715-R719 WeakPolarHBondContact O-CG 3.18Å; Q715-R719 PolarHBondContact O-N 3.17Å
716Y81.3Confident77.9Confident136 Ų13680.8 Ų80.853%0.53339%0.392SS..Hα-helixtrans-59.5-52.5176.8-177-88.8000110.9D712 D713 R718 R719 E720D712-Y716 PolarHBondContact O-N 2.94Å; D713-Y716 PolarHBondContact O-N 3.05Å; Y716-R718 VanDerWaalsContact C-N 3.3Å; Y716-R718 PolarHBondContact O-N 2.81Å; Y716-R719 PolarHBondContact O-N 2.8Å; Y716-R719 VanDerWaalsContact O-N 3.14Å; Y716-E720 HydrophobicContact CD1-CG 4.43Å; Y716-E720 HydrophobicContact CE1-CG 3.86Å; Y716-E720 VanDerWaalsContact CE1-OE1 3.31Å; Y716-E720 WeakPolarHBondContact CE1-OE1 3.37Å; Y716-E720 VanDerWaalsContact CE1-OE2 3.27Å; Y716-E720 WeakPolarHBondContact CE1-OE2 3.47Å; Y716-E720 PolarHBondContact O-N 3.09Å; Y716-E720 PolarHBondContact OH-OE1 2.77Å
717R83.6Confident78.2Confident51 Ų5182.6 Ų82.619%0.19240%0.398CS..Hα-helixtrans-54.9-42.6176-72.5-173.3-63.1-977.6112.9V706 F707 D713 E720 Y721 L746V706-R717 PolarHBondContact O-NE 2.73Å; V706-R717 VanDerWaalsContact O-NE 3.12Å; V706-R717 PolarHBondContact O-NH2 3Å; V706-R717 VanDerWaalsContact O-NH2 3.09Å; F707-R717 HydrophobicContact CD1-CB 4.34Å; F707-R717 HydrophobicContact CE1-CB 4.31Å; D713-R717 WeakPolarHBondContact O-CG 3.46Å; D713-R717 PolarHBondContact O-N 2.86Å; D713-R717 VanDerWaalsContact O-N 3.07Å; R717-E720 PolarHBondContact O-N 2.95Å; R717-Y721 PolarHBondContact O-N 3.43Å; R717-L746 HydrophobicContact CB-CD2 4.07Å; R717-L746 HydrophobicContact CG-CD2 4.01Å; R717-L746 WeakPolarHBondContact O-CD1 3.23Å
718R82.9Confident78.2Confident100 Ų10086.4 Ų86.438%0.37742%0.416SS..Hα-helixtrans-64-44.2178.6-176.5176.1171.9156.94.7112.1F707 A714 Q715 Y716 E720 Y721 E722F707-R718 HydrophobicContact CB-CB 4.26Å; F707-R718 HydrophobicContact CD1-CB 3.69Å; F707-R718 HydrophobicContact CD1-CG 4.3Å; F707-R718 HydrophobicContact CE1-CB 4.34Å; F707-R718 HydrophobicContact CG-CB 4.16Å; F707-R718 HydrophobicContact CG-CG 4.39Å; A714-R718 PolarHBondContact O-N 3.21Å; Q715-R718 PolarHBondContact O-N 3.17Å; Y716-R718 VanDerWaalsContact C-N 3.3Å; Y716-R718 PolarHBondContact O-N 2.81Å; R718-E720 VanDerWaalsContact C-N 3.34Å; R718-E720 PolarHBondContact O-N 3.45Å; R718-Y721 PolarHBondContact O-N 2.83Å; R718-E722 IonicContact CZ-OE1 3.64Å; R718-E722 VanDerWaalsContact CZ-OE1 3.27Å; R718-E722 IonicContact NE-OE1 2.74Å; R718-E722 PolarHBondContact NE-OE1 2.91Å; R718-E722 IonicContact NE-OE2 3.8Å; R718-E722 IonicContact NH2-OE1 3.16Å; R718-E722 PolarHBondContact NH2-OE1 3.17Å; R718-E722 PolarHBondContact O-N 2.9Å
719R84.9Confident79Confident152 Ų15284.9 Ų84.957%0.57440%0.402SS*.Hα-helixtrans-63.2-39.5178.2-69.5178.8-145.7169.48.3111.7Q715 Y716 H723Q715-R719 WeakPolarHBondContact O-CG 3.18Å; Q715-R719 PolarHBondContact O-N 3.17Å; Y716-R719 PolarHBondContact O-N 2.8Å; Y716-R719 VanDerWaalsContact O-N 3.14Å; R719-H723 WeakPolarHBondContact O-CB 3.16Å; R719-H723 PolarHBondContact O-N 3.27Å
720E86.5Confident79.6Confident34 Ų3482.7 Ų82.716%0.15938%0.379CS..Hα-helixtrans-62.5-48.1173.5-72.9-169.8140.200111.7Y716 R717 R718 E722 H723 F724 P742 L746Y716-E720 HydrophobicContact CD1-CG 4.43Å; Y716-E720 HydrophobicContact CE1-CG 3.86Å; Y716-E720 VanDerWaalsContact CE1-OE1 3.31Å; Y716-E720 WeakPolarHBondContact CE1-OE1 3.37Å; Y716-E720 VanDerWaalsContact CE1-OE2 3.27Å; Y716-E720 WeakPolarHBondContact CE1-OE2 3.47Å; Y716-E720 PolarHBondContact O-N 3.09Å; Y716-E720 PolarHBondContact OH-OE1 2.77Å; R717-E720 PolarHBondContact O-N 2.95Å; R718-E720 VanDerWaalsContact C-N 3.34Å; R718-E720 PolarHBondContact O-N 3.45Å; E720-E722 VanDerWaalsContact C-N 3.33Å; E720-E722 PolarHBondContact O-N 3.11Å; E720-H723 PolarHBondContact O-N 2.99Å; E720-F724 HydrophobicContact CB-CD2 4.44Å; E720-F724 WeakPolarHBondContact O-CD2 3.07Å; E720-F724 PolarHBondContact O-N 3.16Å; E720-P742 HydrophobicContact CB-CB 4.24Å; E720-L746 HydrophobicContact CB-CD1 4.1Å
721Y86.3Confident80.7Confident3 Ų376.2 Ų76.21%0.01234%0.336CS..Hα-helixtrans-58.3-43.1-179.9-171.5-89.6000113.2L544 L701 F707 R717 R718 C726 R727 L746 L747 V750L544-Y721 VanDerWaalsContact CD1-OH 3.29Å; L544-Y721 WeakPolarHBondContact CD1-OH 3.08Å; L544-Y721 VanDerWaalsContact CD2-OH 3.28Å; L544-Y721 WeakPolarHBondContact CD2-OH 3.48Å; L701-Y721 HydrophobicContact CD1-CD1 4.2Å; L701-Y721 HydrophobicContact CD1-CE1 3.87Å; L701-Y721 HydrophobicContact CD2-CD1 4.36Å; L701-Y721 HydrophobicContact CD2-CE1 3.66Å; L701-Y721 HydrophobicContact CG-CE1 4.45Å; F707-Y721 HydrophobicContact CE1-CG 4.33Å; F707-Y721 HydrophobicContact CE2-CD1 4.48Å; F707-Y721 HydrophobicContact CE2-CG 4.38Å; F707-Y721 HydrophobicContact CZ-CD1 4.11Å; F707-Y721 AromaticContact CZ-CD2 3.84Å; F707-Y721 HydrophobicContact CZ-CD2 3.84Å; F707-Y721 AromaticContact CZ-CG 3.6Å; F707-Y721 HydrophobicContact CZ-CG 3.6Å; R717-Y721 PolarHBondContact O-N 3.43Å; R718-Y721 PolarHBondContact O-N 2.83Å; Y721-C726 HydrophobicContact CD2-CB 3.74Å; Y721-C726 HydrophobicContact CE1-CB 4.34Å; Y721-C726 HydrophobicContact CE2-CB 3.53Å; Y721-C726 HydrophobicContact CG-CB 4.24Å; Y721-C726 PolarHBondContact O-N 3.07Å; Y721-C726 PolarHBondContact O-SG 2.91Å; Y721-R727 HydrophobicContact CE1-CB 4.26Å; Y721-L746 HydrophobicContact CD2-CB 4.03Å; Y721-L747 HydrophobicContact CE2-CD2 4.08Å; Y721-V750 HydrophobicContact CD2-CG2 4.42Å; Y721-V750 HydrophobicContact CE2-CG2 4.29Å
722E86.7Confident81.4Confident95 Ų9574.4 Ų74.444%0.44434%0.335SS..Hα-helixtrans-71.8-40.6176.5-69.5173.2173.100111.6R718 E720 Q725R718-E722 IonicContact CZ-OE1 3.64Å; R718-E722 VanDerWaalsContact CZ-OE1 3.27Å; R718-E722 IonicContact NE-OE1 2.74Å; R718-E722 PolarHBondContact NE-OE1 2.91Å; R718-E722 IonicContact NE-OE2 3.8Å; R718-E722 IonicContact NH2-OE1 3.16Å; R718-E722 PolarHBondContact NH2-OE1 3.17Å; R718-E722 PolarHBondContact O-N 2.9Å; E720-E722 VanDerWaalsContact C-N 3.33Å; E720-E722 PolarHBondContact O-N 3.11Å; E722-Q725 PolarHBondContact O-N 2.81Å
723H88.1Confident82Confident139 Ų13970.5 Ų70.564%0.64432%0.315SS*.Hα-helixtrans-65.9-40.9-178.6-179.467.8000113.4R719 E720 Q725R719-H723 WeakPolarHBondContact O-CB 3.16Å; R719-H723 PolarHBondContact O-N 3.27Å; E720-H723 PolarHBondContact O-N 2.99Å; H723-Q725 VanDerWaalsContact C-N 3.26Å; H723-Q725 PolarHBondContact O-N 2.83Å
724F89.3Confident82.3Confident72 Ų7268.5 Ų68.532%0.31631%0.305SS..THydrogen-bonded Turntrans-87.111178.9-69.9-78.4000113.6E720 C726 P740 P742 C743E720-F724 HydrophobicContact CB-CD2 4.44Å; E720-F724 WeakPolarHBondContact O-CD2 3.07Å; E720-F724 PolarHBondContact O-N 3.16Å; F724-C726 PolarHBondContact O-N 3.25Å; F724-C726 VanDerWaalsContact O-N 3.13Å; F724-P740 HydrophobicContact CB-CB 4.22Å; F724-P740 HydrophobicContact CB-CG 4.38Å; F724-P740 HydrophobicContact CD1-CB 3.77Å; F724-P740 HydrophobicContact CD1-CG 4.22Å; F724-P740 HydrophobicContact CG-CB 4.21Å; F724-P742 HydrophobicContact CD2-CB 3.72Å; F724-P742 HydrophobicContact CD2-CG 3.72Å; F724-P742 HydrophobicContact CE2-CB 4.01Å; F724-P742 HydrophobicContact CE2-CG 3.53Å; F724-P742 HydrophobicContact CG-CB 4.38Å; F724-P742 HydrophobicContact CG-CG 4.36Å; F724-P742 HydrophobicContact CZ-CG 3.99Å; F724-C743 VanDerWaalsContact CB-SG 3.57Å; F724-C743 PolarHBondContact O-SG 3.34Å
725Q88.1Confident82.6Confident116 Ų11670.9 Ų70.954%0.54232%0.32SS..THydrogen-bonded Turntrans53.134.4174.9-60.3176.7-8700113.8E722 H723 R727 E728 L729E722-Q725 PolarHBondContact O-N 2.81Å; H723-Q725 VanDerWaalsContact C-N 3.26Å; H723-Q725 PolarHBondContact O-N 2.83Å; Q725-R727 PolarHBondContact O-N 3.05Å; Q725-R727 VanDerWaalsContact O-N 3.1Å; Q725-E728 HydrophobicContact CB-CB 4.47Å; Q725-E728 PolarHBondContact NE2-OE2 2.77Å; Q725-E728 PolarHBondContact O-N 2.74Å; Q725-L729 PolarHBondContact O-N 3.33Å; Q725-L729 VanDerWaalsContact O-N 3.15Å
726C86.1Confident82.3Confident0 Ų067.7 Ų67.70%031%0.306CS..Hα-helixtrans-59.2-32.7-167.7-550000113.7Y721 F724 A730 C743 L747Y721-C726 HydrophobicContact CD2-CB 3.74Å; Y721-C726 HydrophobicContact CE1-CB 4.34Å; Y721-C726 HydrophobicContact CE2-CB 3.53Å; Y721-C726 HydrophobicContact CG-CB 4.24Å; Y721-C726 PolarHBondContact O-N 3.07Å; Y721-C726 PolarHBondContact O-SG 2.91Å; F724-C726 PolarHBondContact O-N 3.25Å; F724-C726 VanDerWaalsContact O-N 3.13Å; C726-A730 WeakPolarHBondContact O-CB 3.22Å; C726-A730 PolarHBondContact O-N 3.1Å; C726-C743 WeakPolarHBondContact CA-SG 3.39Å; C726-C743 HydrophobicContact CB-CB 3.7Å; C726-C743 WeakPolarHBondContact CB-SG 3.34Å; C726-C743 WeakPolarHBondContact SG-CA 3.41Å; C726-C743 WeakPolarHBondContact SG-CB 3.48Å; C726-C743 CovalentContact SG-SG 2.04Å; C726-C743 PolarHBondContact SG-SG 2.71Å; C726-L747 HydrophobicContact CB-CD2 4.47Å
727R83.5Confident82.1Confident47 Ų4766.6 Ų66.618%0.17731%0.309CS..Hα-helixtrans-62.7-45.5172.8176.1176.6170.9156.6-3.3112.1L544 H603 D657 Y721 Q725 M731L544-R727 HydrophobicContact CD2-CG 4.41Å; H603-R727 PolarHBondContact CD2-NH2 3.26Å; H603-R727 VanDerWaalsContact CD2-NH2 3.32Å; H603-R727 PolarHBondContact NE2-NH1 3.09Å; H603-R727 PolarHBondContact NE2-NH2 3.15Å; D657-R727 VanDerWaalsContact CG-NH2 3.27Å; D657-R727 IonicContact OD1-NH2 3.62Å; D657-R727 PolarHBondContact OD1-NH2 2.79Å; D657-R727 VanDerWaalsContact OD1-NH2 3.08Å; D657-R727 IonicContact OD2-CZ 2.8Å; D657-R727 IonicContact OD2-NE 3.55Å; D657-R727 IonicContact OD2-NH2 2.97Å; D657-R727 PolarHBondContact OD2-NH2 2.65Å; Y721-R727 HydrophobicContact CE1-CB 4.26Å; Q725-R727 PolarHBondContact O-N 3.05Å; Q725-R727 VanDerWaalsContact O-N 3.1Å; R727-M731 WeakPolarHBondContact O-CG 3.38Å; R727-M731 PolarHBondContact O-N 3.03Å; R727-M731 VanDerWaalsContact O-N 3.11Å
728E82.3Confident82.1Confident100 Ų10072 Ų7247%0.46733%0.33SS..Hα-helixtrans-70.3-41.7-176.7-66.4-175.3129.400111.5Q725 A730 M731 Q732Q725-E728 HydrophobicContact CB-CB 4.47Å; Q725-E728 PolarHBondContact NE2-OE2 2.77Å; Q725-E728 PolarHBondContact O-N 2.74Å; E728-A730 VanDerWaalsContact C-N 3.34Å; E728-A730 PolarHBondContact O-N 3.36Å; E728-M731 PolarHBondContact O-N 3.39Å; E728-M731 VanDerWaalsContact O-N 3.15Å; E728-Q732 WeakPolarHBondContact O-CG 3.09Å; E728-Q732 PolarHBondContact O-N 2.83Å
729L83.3Confident81.8Confident43 Ų4367.5 Ų67.523%0.22531%0.313CS..Hα-helixtrans-61.1-42.6177.3-65.7174000111.8Q725 Q732 T734 L739 P740Q725-L729 PolarHBondContact O-N 3.33Å; Q725-L729 VanDerWaalsContact O-N 3.15Å; L729-Q732 PolarHBondContact O-N 2.81Å; L729-T734 WeakPolarHBondContact O-CB 3.03Å; L729-T734 PolarHBondContact O-N 3.22Å; L729-T734 VanDerWaalsContact O-N 3.15Å; L729-T734 PolarHBondContact O-OG1 3.08Å; L729-L739 HydrophobicContact CB-CD2 3.52Å; L729-L739 HydrophobicContact CD1-CD2 4.09Å; L729-L739 HydrophobicContact CG-CD2 4.4Å; L729-P740 VanDerWaalsContact CD1-CD 3.41Å; L729-P740 HydrophobicContact CD1-CG 3.89Å
730A77.6Confident81.8Confident3 Ų362.1 Ų62.13%0.02530%0.298CS..Hα-helixtrans-60.9-44.2173.100000111.8L544 C726 E728 Q732 L733L544-A730 HydrophobicContact CB-CB 4.44Å; C726-A730 WeakPolarHBondContact O-CB 3.22Å; C726-A730 PolarHBondContact O-N 3.1Å; E728-A730 VanDerWaalsContact C-N 3.34Å; E728-A730 PolarHBondContact O-N 3.36Å; A730-Q732 VanDerWaalsContact C-N 3.3Å; A730-Q732 PolarHBondContact O-N 3.4Å; A730-L733 PolarHBondContact O-N 2.7Å; A730-L733 VanDerWaalsContact O-N 3.16Å
731M79.5Confident81.6Confident8 Ų865.2 Ų65.24%0.03931%0.313CS..Hα-helixtrans-68.7-27.6-178.1-69.3-4495.600114.2L544 D545 R607 L655 L698 R727 E728 L733L544-M731 HydrophobicContact CB-CE 4.11Å; D545-M731 HydrophobicContact CB-CE 3.67Å; D545-M731 HydrophobicContact CB-SD 4.26Å; R607-M731 PolarHBondContact NE-O 2.81Å; R607-M731 PolarHBondContact NH2-O 3.28Å; L655-M731 HydrophobicContact CD1-CB 4.41Å; L655-M731 HydrophobicContact CD2-CB 3.76Å; L655-M731 HydrophobicContact CD2-CG 4.08Å; L698-M731 HydrophobicContact CD1-CE 4.28Å; L698-M731 HydrophobicContact CD1-CG 3.99Å; L698-M731 HydrophobicContact CD1-SD 3.57Å; L698-M731 VanDerWaalsContact CD1-SD 3.57Å; L698-M731 HydrophobicContact CD2-CE 3.62Å; L698-M731 HydrophobicContact CD2-SD 3.63Å; L698-M731 HydrophobicContact CG-SD 4Å; R727-M731 WeakPolarHBondContact O-CG 3.38Å; R727-M731 PolarHBondContact O-N 3.03Å; R727-M731 VanDerWaalsContact O-N 3.11Å; E728-M731 PolarHBondContact O-N 3.39Å; E728-M731 VanDerWaalsContact O-N 3.15Å; M731-L733 PolarHBondContact O-N 3.46Å
732Q77.2Confident81.5Confident141 Ų14166.1 Ų66.166%0.65932%0.319SS*.THydrogen-bonded Turntrans-78.59175-68.1179.618.400113.9E728 L729 A730 T734E728-Q732 WeakPolarHBondContact O-CG 3.09Å; E728-Q732 PolarHBondContact O-N 2.83Å; L729-Q732 PolarHBondContact O-N 2.81Å; A730-Q732 VanDerWaalsContact C-N 3.3Å; A730-Q732 PolarHBondContact O-N 3.4Å; Q732-T734 PolarHBondContact O-N 2.03Å
733L76.9Confident81.5Confident50 Ų5061.6 Ų61.626%0.26230%0.298SS..THydrogen-bonded Turntrans57.734.8-175.8-59.7169.3000112.4T576 A730 M731 P735T576-L733 HydrophobicContact CG2-CD1 3.96Å; T576-L733 HydrophobicContact CG2-CD2 3.92Å; A730-L733 PolarHBondContact O-N 2.7Å; A730-L733 VanDerWaalsContact O-N 3.16Å; M731-L733 PolarHBondContact O-N 3.46Å; L733-P735 WeakPolarHBondContact O-CD 3.48Å
734T77.8Confident81.2Confident34 Ų3459.7 Ų59.721%0.20929%0.285CS..  trans-66.1124178.2-53.80000109.7L729 Q732 R738 L739L729-T734 WeakPolarHBondContact O-CB 3.03Å; L729-T734 PolarHBondContact O-N 3.22Å; L729-T734 VanDerWaalsContact O-N 3.15Å; L729-T734 PolarHBondContact O-OG1 3.08Å; Q732-T734 PolarHBondContact O-N 2.03Å; T734-R738 HydrophobicContact CG2-CB 4.01Å; T734-L739 HydrophobicContact CG2-CD2 3.83Å
735P74.7Confident80.8Confident54 Ų5464.3 Ų64.335%0.35130%0.3SS..  trans-55.7139.2176.6-27.836.5000112.5L733 D737 R738 L739L733-P735 WeakPolarHBondContact O-CD 3.48Å; P735-D737 WeakPolarHBondContact CB-OD1 3.48Å; P735-D737 PolarHBondContact O-N 2.81Å; P735-R738 HydrophobicContact CB-CG 4.35Å; P735-R738 WeakPolarHBondContact O-CA 3.45Å; P735-R738 WeakPolarHBondContact O-CB 3.49Å; P735-R738 PolarHBondContact O-N 2.94Å; P735-L739 PolarHBondContact O-N 2.64Å
736I71.9Confident80.5Confident44 Ų4459.1 Ų59.123%0.22628%0.276CS..G310 helixtrans-58.6-33.2-173.5-84.4154.5000113.2R738 L739 R744 I776I736-R738 PolarHBondContact O-N 3.25Å; I736-L739 HydrophobicContact CB-CD1 4.41Å; I736-L739 HydrophobicContact CG1-CD1 3.91Å; I736-L739 PolarHBondContact O-N 3.1Å; I736-R744 WeakPolarHBondContact O-CD 3.38Å; I736-I776 HydrophobicContact CD1-CB 3.9Å; I736-I776 HydrophobicContact CD1-CG2 3.57Å; I736-I776 WeakPolarHBondContact CD1-O 3.39Å; I736-I776 HydrophobicContact CG1-CG2 4.3Å; I736-I776 HydrophobicContact CG2-CD1 4.48Å
737D77Confident80.3Confident112 Ų11259.3 Ų59.360%0.59928%0.277SS*.G310 helixtrans-61.1-29.2173.457.4-65.3000113.1P735 R744P735-D737 WeakPolarHBondContact CB-OD1 3.48Å; P735-D737 PolarHBondContact O-N 2.81Å; D737-R744 PolarHBondContact O-NH1 2.98Å; D737-R744 VanDerWaalsContact O-NH1 3.14Å
738R83Confident80.1Confident164 Ų16458 Ų5862%0.61928%0.275SS*.G310 helixtrans-92.2-3.4-180-56-172.1-179.1-175.7-1.8114.1T734 P735 I736T734-R738 HydrophobicContact CG2-CB 4.01Å; P735-R738 HydrophobicContact CB-CG 4.35Å; P735-R738 WeakPolarHBondContact O-CA 3.45Å; P735-R738 WeakPolarHBondContact O-CB 3.49Å; P735-R738 PolarHBondContact O-N 2.94Å; I736-R738 PolarHBondContact O-N 3.25Å
739L78.2Confident80Confident7 Ų753.6 Ų53.64%0.03726%0.255CS..SBendtrans-75.7142.7177.9-64.2176.4000111.4L729 T734 P735 I736 C743 R744 L747L729-L739 HydrophobicContact CB-CD2 3.52Å; L729-L739 HydrophobicContact CD1-CD2 4.09Å; L729-L739 HydrophobicContact CG-CD2 4.4Å; T734-L739 HydrophobicContact CG2-CD2 3.83Å; P735-L739 PolarHBondContact O-N 2.64Å; I736-L739 HydrophobicContact CB-CD1 4.41Å; I736-L739 HydrophobicContact CG1-CD1 3.91Å; I736-L739 PolarHBondContact O-N 3.1Å; L739-C743 HydrophobicContact CB-CB 4.36Å; L739-R744 HydrophobicContact CB-CG 3.91Å; L739-L747 HydrophobicContact CD1-CD1 3.48Å; L739-L747 VanDerWaalsContact CD1-CD1 3.48Å
740P84.6Confident79.8Confident39 Ų3951.6 Ų51.625%0.25325%0.245SC..  trans-55.2145172.1-25.633.9000112.1F724 L729 P742 C743 R744F724-P740 HydrophobicContact CB-CB 4.22Å; F724-P740 HydrophobicContact CB-CG 4.38Å; F724-P740 HydrophobicContact CD1-CB 3.77Å; F724-P740 HydrophobicContact CD1-CG 4.22Å; F724-P740 HydrophobicContact CG-CB 4.21Å; L729-P740 VanDerWaalsContact CD1-CD 3.41Å; L729-P740 HydrophobicContact CD1-CG 3.89Å; P740-P742 VanDerWaalsContact C-N 3.34Å; P740-C743 WeakPolarHBondContact O-CA 3.41Å; P740-C743 VanDerWaalsContact O-CB 3.28Å; P740-C743 WeakPolarHBondContact O-CB 3.41Å; P740-C743 PolarHBondContact O-N 3.17Å; P740-R744 PolarHBondContact O-N 2.85Å
741E81.9Confident79.9Confident99 Ų9951.4 Ų51.446%0.46324%0.243SC..Hα-helixtrans-53.7-40.9-176.7-177.661.2-165.800114.1C743 R744 R745E741-C743 VanDerWaalsContact C-N 3.3Å; E741-C743 PolarHBondContact O-N 3.21Å; E741-R744 PolarHBondContact O-N 2.73Å; E741-R744 IonicContact OE2-CZ 2.74Å; E741-R744 IonicContact OE2-NE 3.65Å; E741-R744 PolarHBondContact OE2-NE 3.32Å; E741-R744 IonicContact OE2-NH2 3.63Å; E741-R744 PolarHBondContact OE2-NH2 3.31Å; E741-R745 PolarHBondContact O-N 2.62Å
742P84.1Confident79.8Confident22 Ų2251.1 Ų51.114%0.14324%0.242CC..Hα-helixtrans-65-31.2174.3-2640.1000113.3E720 F724 P740 L746E720-P742 HydrophobicContact CB-CB 4.24Å; F724-P742 HydrophobicContact CD2-CB 3.72Å; F724-P742 HydrophobicContact CD2-CG 3.72Å; F724-P742 HydrophobicContact CE2-CB 4.01Å; F724-P742 HydrophobicContact CE2-CG 3.53Å; F724-P742 HydrophobicContact CG-CB 4.38Å; F724-P742 HydrophobicContact CG-CG 4.36Å; F724-P742 HydrophobicContact CZ-CG 3.99Å; P740-P742 VanDerWaalsContact C-N 3.34Å; P742-L746 VanDerWaalsContact O-CB 3.25Å; P742-L746 WeakPolarHBondContact O-CB 3.48Å; P742-L746 WeakPolarHBondContact O-CD1 3.33Å; P742-L746 VanDerWaalsContact O-CG 3.24Å; P742-L746 WeakPolarHBondContact O-CG 3.41Å; P742-L746 PolarHBondContact O-N 2.71Å
743C86Confident79.7Confident0 Ų045.2 Ų45.20%022%0.216CC..Hα-helixtrans-68.9-45.2171.8-59.50000111.3F724 C726 L739 P740 E741 R745 L746 L747F724-C743 VanDerWaalsContact CB-SG 3.57Å; F724-C743 PolarHBondContact O-SG 3.34Å; C726-C743 WeakPolarHBondContact CA-SG 3.39Å; C726-C743 HydrophobicContact CB-CB 3.7Å; C726-C743 WeakPolarHBondContact CB-SG 3.34Å; C726-C743 WeakPolarHBondContact SG-CA 3.41Å; C726-C743 WeakPolarHBondContact SG-CB 3.48Å; C726-C743 CovalentContact SG-SG 2.04Å; C726-C743 PolarHBondContact SG-SG 2.71Å; L739-C743 HydrophobicContact CB-CB 4.36Å; P740-C743 WeakPolarHBondContact O-CA 3.41Å; P740-C743 VanDerWaalsContact O-CB 3.28Å; P740-C743 WeakPolarHBondContact O-CB 3.41Å; P740-C743 PolarHBondContact O-N 3.17Å; E741-C743 VanDerWaalsContact C-N 3.3Å; E741-C743 PolarHBondContact O-N 3.21Å; C743-R745 VanDerWaalsContact C-N 3.28Å; C743-R745 PolarHBondContact O-N 3.46Å; C743-L746 PolarHBondContact O-N 3.32Å; C743-L746 VanDerWaalsContact O-N 3.16Å; C743-L747 HydrophobicContact CB-CD1 4.3Å; C743-L747 WeakPolarHBondContact O-CB 3.31Å; C743-L747 WeakPolarHBondContact O-CG 3.37Å; C743-L747 PolarHBondContact O-N 3.19Å
744R82.6Confident79.8Confident98 Ų9843 Ų4337%0.3721%0.205SC..Hα-helixtrans-56.6-43.9175.9-62.2-163.3-67.2-145.97.4111.5I736 D737 L739 P740 E741I736-R744 WeakPolarHBondContact O-CD 3.38Å; D737-R744 PolarHBondContact O-NH1 2.98Å; D737-R744 VanDerWaalsContact O-NH1 3.14Å; L739-R744 HydrophobicContact CB-CG 3.91Å; P740-R744 PolarHBondContact O-N 2.85Å; E741-R744 PolarHBondContact O-N 2.73Å; E741-R744 IonicContact OE2-CZ 2.74Å; E741-R744 IonicContact OE2-NE 3.65Å; E741-R744 PolarHBondContact OE2-NE 3.32Å; E741-R744 IonicContact OE2-NH2 3.63Å; E741-R744 PolarHBondContact OE2-NH2 3.31Å
745R81Confident80Confident169 Ų16941.9 Ų41.964%0.63820%0.198SC*.Hα-helixtrans-68.9-29.4176.7-79.1-176.654.3-170.7-9.5115.3E741 C743 P749E741-R745 PolarHBondContact O-N 2.62Å; C743-R745 VanDerWaalsContact C-N 3.28Å; C743-R745 PolarHBondContact O-N 3.46Å; R745-P749 WeakPolarHBondContact O-CD 3.44Å; R745-P749 VanDerWaalsContact O-CG 3.31Å; R745-P749 WeakPolarHBondContact O-CG 3.47Å
746L82.1Confident80.2Confident8 Ų843 Ų434%0.04220%0.2CC..Hα-helixtrans-103.2-28.2-172.6-68.9170.9000114.1R717 E720 Y721 P742 C743 C748 P749 V750R717-L746 HydrophobicContact CB-CD2 4.07Å; R717-L746 HydrophobicContact CG-CD2 4.01Å; R717-L746 WeakPolarHBondContact O-CD1 3.23Å; E720-L746 HydrophobicContact CB-CD1 4.1Å; Y721-L746 HydrophobicContact CD2-CB 4.03Å; P742-L746 VanDerWaalsContact O-CB 3.25Å; P742-L746 WeakPolarHBondContact O-CB 3.48Å; P742-L746 WeakPolarHBondContact O-CD1 3.33Å; P742-L746 VanDerWaalsContact O-CG 3.24Å; P742-L746 WeakPolarHBondContact O-CG 3.41Å; P742-L746 PolarHBondContact O-N 2.71Å; C743-L746 PolarHBondContact O-N 3.32Å; C743-L746 VanDerWaalsContact O-N 3.16Å; L746-C748 VanDerWaalsContact C-N 3.33Å; L746-C748 PolarHBondContact O-N 2.59Å; L746-P749 WeakPolarHBondContact O-CD 3.5Å; L746-V750 VanDerWaalsContact O-CB 3.3Å; L746-V750 WeakPolarHBondContact O-CB 3.36Å; L746-V750 WeakPolarHBondContact O-CG2 3.44Å; L746-V750 PolarHBondContact O-N 3.44Å
747L81.5Confident80.8Confident3 Ų344.7 Ų44.72%0.01621%0.208CC..Hα-helixtrans-58-44.9-178.9-77.1169000112.1L544 Y721 C726 L739 C743 V750 A751L544-L747 HydrophobicContact CD1-CD2 3.65Å; Y721-L747 HydrophobicContact CE2-CD2 4.08Å; C726-L747 HydrophobicContact CB-CD2 4.47Å; L739-L747 HydrophobicContact CD1-CD1 3.48Å; L739-L747 VanDerWaalsContact CD1-CD1 3.48Å; C743-L747 HydrophobicContact CB-CD1 4.3Å; C743-L747 WeakPolarHBondContact O-CB 3.31Å; C743-L747 WeakPolarHBondContact O-CG 3.37Å; C743-L747 PolarHBondContact O-N 3.19Å; L747-V750 PolarHBondContact O-N 3.44Å; L747-A751 WeakPolarHBondContact O-CB 3.47Å; L747-A751 PolarHBondContact O-N 3.41Å
748C80Confident81Confident19 Ų1939.4 Ų39.413%0.12818%0.179CC..Hα-helixtrans-64.9-55.2177.9169.50000112.6C541 L746 V750 A751 A752C541-C748 HydrophobicContact CB-CB 3.76Å; C541-C748 WeakPolarHBondContact CB-SG 3.24Å; C541-C748 VanDerWaalsContact SG-C 3.52Å; C541-C748 WeakPolarHBondContact SG-CA 3.45Å; C541-C748 WeakPolarHBondContact SG-CB 3.15Å; C541-C748 PolarHBondContact SG-O 2.66Å; C541-C748 CovalentContact SG-SG 2.03Å; C541-C748 PolarHBondContact SG-SG 3.21Å; L746-C748 VanDerWaalsContact C-N 3.33Å; L746-C748 PolarHBondContact O-N 2.59Å; C748-V750 PolarHBondContact O-N 3.25Å; C748-A751 PolarHBondContact O-N 2.66Å; C748-A751 VanDerWaalsContact O-N 3.08Å; C748-A752 VanDerWaalsContact O-CB 3.28Å; C748-A752 WeakPolarHBondContact O-CB 3.03Å; C748-A752 PolarHBondContact O-N 3.42Å
749P78.4Confident81Confident9 Ų932.2 Ų32.26%0.05815%0.153CC..Hα-helixtrans-52.5-39.6173.4-32.537.5000114.5V706 R745 L746 S753V706-P749 HydrophobicContact CG1-CB 4.37Å; V706-P749 HydrophobicContact CG2-CB 4.07Å; V706-P749 WeakPolarHBondContact CG2-O 3.47Å; R745-P749 WeakPolarHBondContact O-CD 3.44Å; R745-P749 VanDerWaalsContact O-CG 3.31Å; R745-P749 WeakPolarHBondContact O-CG 3.47Å; L746-P749 WeakPolarHBondContact O-CD 3.5Å; P749-S753 WeakPolarHBondContact O-CB 3.4Å; P749-S753 PolarHBondContact O-N 3.46Å; P749-S753 PolarHBondContact O-OG 3.24Å
750V80.1Confident81.4Confident0 Ų033 Ų330%016%0.163CC..Hα-helixtrans-62.8-47.5176.7169.90000110.7L544 I704 F707 Y721 L746 L747 C748 S753 F754L544-V750 HydrophobicContact CD1-CG1 3.8Å; I704-V750 HydrophobicContact CD1-CG1 3.71Å; I704-V750 HydrophobicContact CG2-CG1 4.14Å; I704-V750 HydrophobicContact CG2-CG2 4.47Å; F707-V750 HydrophobicContact CE1-CG2 4.33Å; F707-V750 HydrophobicContact CE2-CG1 4.47Å; F707-V750 HydrophobicContact CE2-CG2 3.5Å; F707-V750 VanDerWaalsContact CE2-CG2 3.5Å; F707-V750 HydrophobicContact CZ-CG2 3.36Å; Y721-V750 HydrophobicContact CD2-CG2 4.42Å; Y721-V750 HydrophobicContact CE2-CG2 4.29Å; L746-V750 VanDerWaalsContact O-CB 3.3Å; L746-V750 WeakPolarHBondContact O-CB 3.36Å; L746-V750 WeakPolarHBondContact O-CG2 3.44Å; L746-V750 PolarHBondContact O-N 3.44Å; L747-V750 PolarHBondContact O-N 3.44Å; C748-V750 PolarHBondContact O-N 3.25Å; V750-S753 PolarHBondContact O-N 3.14Å; V750-S753 PolarHBondContact O-OG 3.11Å; V750-F754 WeakPolarHBondContact O-CD1 3.25Å
751A79.7Confident81.6Confident0 Ų031.2 Ų31.20%015%0.152CC..Hα-helixtrans-67.6-47.5177.900000113.3A542 L747 C748 S753 F754 V755A542-A751 HydrophobicContact CB-CB 4.1Å; A542-A751 WeakPolarHBondContact O-CB 3.13Å; L747-A751 WeakPolarHBondContact O-CB 3.47Å; L747-A751 PolarHBondContact O-N 3.41Å; C748-A751 PolarHBondContact O-N 2.66Å; C748-A751 VanDerWaalsContact O-N 3.08Å; A751-S753 PolarHBondContact O-N 3.43Å; A751-S753 VanDerWaalsContact O-N 3.13Å; A751-F754 VanDerWaalsContact CA-CE1 3.44Å; A751-F754 HydrophobicContact CB-CE1 4.03Å; A751-F754 HydrophobicContact CB-CZ 4.2Å; A751-F754 WeakPolarHBondContact O-CG 3.4Å; A751-F754 PolarHBondContact O-N 3.46Å; A751-V755 WeakPolarHBondContact O-CG2 3.38Å; A751-V755 PolarHBondContact O-N 2.91Å
752A78.2Confident81.8Confident2 Ų231.2 Ų31.22%0.01716%0.155CC..Hα-helixtrans-54.7-32174.800000112.1F527 C748 F754 D756F527-A752 HydrophobicContact CE2-CB 4.08Å; F527-A752 HydrophobicContact CZ-CB 3.73Å; C748-A752 VanDerWaalsContact O-CB 3.28Å; C748-A752 WeakPolarHBondContact O-CB 3.03Å; C748-A752 PolarHBondContact O-N 3.42Å; A752-F754 VanDerWaalsContact C-N 3.33Å; A752-F754 PolarHBondContact O-N 3.4Å; A752-D756 WeakPolarHBondContact O-CA 3.37Å; A752-D756 PolarHBondContact O-N 2.8Å
753S75Confident82.1Confident16 Ų1631 Ų3111%0.11215%0.154CC..Hα-helixtrans-74.6-15177.776.20000115.6I704 P749 V750 A751I704-S753 VanDerWaalsContact CG2-OG 3.27Å; I704-S753 WeakPolarHBondContact CG2-OG 3.39Å; P749-S753 WeakPolarHBondContact O-CB 3.4Å; P749-S753 PolarHBondContact O-N 3.46Å; P749-S753 PolarHBondContact O-OG 3.24Å; V750-S753 PolarHBondContact O-N 3.14Å; V750-S753 PolarHBondContact O-OG 3.11Å; A751-S753 PolarHBondContact O-N 3.43Å; A751-S753 VanDerWaalsContact O-N 3.13Å
754F78.7Confident82.2Confident5 Ų533.2 Ų33.22%0.02217%0.166CC..Hα-helixtrans-108.5-11172.173.1-110.3000114.3M598 M600 P699 V750 A751 A752M598-F754 WeakPolarHBondContact CE-O 3.3Å; M598-F754 HydrophobicContact SD-CB 4.45Å; M600-F754 HydrophobicContact CE-CB 3.44Å; M600-F754 VanDerWaalsContact CE-CB 3.44Å; M600-F754 HydrophobicContact SD-CB 4.11Å; P699-F754 HydrophobicContact CB-CD1 4.13Å; P699-F754 HydrophobicContact CB-CE1 4.33Å; P699-F754 HydrophobicContact CG-CD1 3.69Å; P699-F754 HydrophobicContact CG-CD2 4.09Å; P699-F754 HydrophobicContact CG-CE1 3.63Å; P699-F754 HydrophobicContact CG-CE2 4.08Å; P699-F754 HydrophobicContact CG-CG 3.93Å; P699-F754 HydrophobicContact CG-CZ 3.85Å; V750-F754 WeakPolarHBondContact O-CD1 3.25Å; A751-F754 VanDerWaalsContact CA-CE1 3.44Å; A751-F754 HydrophobicContact CB-CE1 4.03Å; A751-F754 HydrophobicContact CB-CZ 4.2Å; A751-F754 WeakPolarHBondContact O-CG 3.4Å; A751-F754 PolarHBondContact O-N 3.46Å; A752-F754 VanDerWaalsContact C-N 3.33Å; A752-F754 PolarHBondContact O-N 3.4Å
755V80.8Confident82.4Confident10 Ų1033.8 Ų33.86%0.06118%0.182CC..Hα-helixtrans-97.9-25.9171.5-177.50000111.8A542 Y597 A751 Q757 V759A542-V755 HydrophobicContact CB-CG2 4.16Å; Y597-V755 HydrophobicContact CD1-CG1 4.07Å; Y597-V755 HydrophobicContact CE1-CG1 4.13Å; A751-V755 WeakPolarHBondContact O-CG2 3.38Å; A751-V755 PolarHBondContact O-N 2.91Å; V755-Q757 HydrophobicContact CG1-CG 4.05Å; V755-Q757 VanDerWaalsContact CG1-O 3.28Å; V755-Q757 WeakPolarHBondContact CG1-O 3.5Å; V755-Q757 PolarHBondContact O-N 2.76Å; V755-Q757 VanDerWaalsContact O-N 3.12Å; V755-V759 HydrophobicContact CG1-CG2 3.69Å
756D79.5Confident82.7Confident76 Ų7628.2 Ų28.241%0.40617%0.167SC..SBendtrans61.9-0.5-176-154.731.7000116.5R524 M598 A752R524-D756 IonicContact CZ-OD1 2.67Å; R524-D756 IonicContact NH1-OD1 3.6Å; R524-D756 PolarHBondContact NH1-OD1 2.86Å; M598-D756 HydrophobicContact CE-CB 4.44Å; A752-D756 WeakPolarHBondContact O-CA 3.37Å; A752-D756 PolarHBondContact O-N 2.8Å
757Q84Confident82.9Confident81 Ų8127.8 Ų27.838%0.37917%0.165SC..BIsolated β-bridgetrans-152.3166.2179.861.3-179.919.500111.3S525 V755S525-Q757 VanDerWaalsContact O-CA 3.31Å; S525-Q757 WeakPolarHBondContact O-CA 3.36Å; V755-Q757 HydrophobicContact CG1-CG 4.05Å; V755-Q757 VanDerWaalsContact CG1-O 3.28Å; V755-Q757 WeakPolarHBondContact CG1-O 3.5Å; V755-Q757 PolarHBondContact O-N 2.76Å; V755-Q757 VanDerWaalsContact O-N 3.12Å
758G81.6Confident83.2Confident0 Ų027.9 Ų27.90%017%0.166CC..PPolyproline II helixtrans-65.2148.1161.300000111.8S525S525-G758 PolarHBondContact O-N 3.13Å; S525-G758 VanDerWaalsContact O-N 3.12Å
759V83.6Confident83.5Confident13 Ų1331.8 Ų31.88%0.07919%0.189CC..EExtended strand (participates in β ladder)trans-99.3135179.3-176.30000110Y539 F540 A542 F546 V755Y539-V759 CarbonylContact C-O 3.55Å; Y539-V759 WeakPolarHBondContact CA-O 3.48Å; F540-V759 HydrophobicContact CD1-CB 4.16Å; F540-V759 HydrophobicContact CD1-CG1 4.46Å; F540-V759 WeakPolarHBondContact CD1-O 3.48Å; F540-V759 HydrophobicContact CD2-CB 4.47Å; F540-V759 HydrophobicContact CE1-CB 3.75Å; F540-V759 HydrophobicContact CE1-CG1 3.61Å; F540-V759 HydrophobicContact CE2-CB 4.08Å; F540-V759 HydrophobicContact CE2-CG1 4.34Å; F540-V759 HydrophobicContact CZ-CB 3.7Å; F540-V759 HydrophobicContact CZ-CG1 3.53Å; F540-V759 PolarHBondContact N-O 2.94Å; F540-V759 PolarHBondContact O-N 2.86Å; A542-V759 HydrophobicContact CB-CG2 4.22Å; F546-V759 HydrophobicContact CE1-CG1 4.29Å; F546-V759 HydrophobicContact CE1-CG2 4.19Å; F546-V759 HydrophobicContact CE2-CG1 4.39Å; F546-V759 HydrophobicContact CZ-CG1 3.72Å; F546-V759 HydrophobicContact CZ-CG2 4.38Å; V755-V759 HydrophobicContact CG1-CG2 3.69Å
760G86.2Confident83.8Confident23 Ų2333.6 Ų33.624%0.23720%0.201CC..EExtended strand (participates in β ladder)trans-68.5140.2178.500000113.4F540F540-G760 WeakPolarHBondContact CE1-O 3.49Å
761C88Confident83.9Confident3 Ų336.1 Ų36.12%0.0223%0.228CC..  trans-66.5-37.6-175.6-700000115G538 C763 C773G538-C761 PolarHBondContact O-N 3.11Å; G538-C761 PolarHBondContact O-SG 3.06Å; C761-C763 VanDerWaalsContact C-N 3.26Å; C761-C763 PolarHBondContact O-N 3.2Å; C761-C763 VanDerWaalsContact O-N 3.13Å; C761-C773 VanDerWaalsContact CA-SG 3.54Å; C761-C773 HydrophobicContact CB-CB 3.6Å; C761-C773 WeakPolarHBondContact CB-SG 3.4Å; C761-C773 WeakPolarHBondContact SG-CB 3.35Å; C761-C773 PolarHBondContact SG-N 3.31Å; C761-C773 CovalentContact SG-SG 2.03Å; C761-C773 PolarHBondContact SG-SG 3.07Å
762D87.9Confident84.1Confident99 Ų9941 Ų4153%0.52925%0.252SS..  trans47.735-177.7-64.4-9.4000116.4D764 R790D762-D764 PolarHBondContact O-N 3.19Å; D762-R790 HydrophobicContact CB-CG 4.49Å; D762-R790 WeakPolarHBondContact O-CB 3.4Å; D762-R790 WeakPolarHBondContact O-CG 3.44Å; D762-R790 IonicContact OD2-CZ 3.81Å; D762-R790 IonicContact OD2-NH1 2.87Å; D762-R790 PolarHBondContact OD2-NH1 2.95Å; D762-R790 IonicContact OD2-NH2 3.97Å; D762-R790 PolarHBondContact OD2-NH2 3.31Å
763C89.1Confident84.5Confident18 Ų1841.1 Ų41.112%0.12225%0.253CS..  trans-62.4134.6-179.5-52.40000112.9C761 C780C761-C763 VanDerWaalsContact C-N 3.26Å; C761-C763 PolarHBondContact O-N 3.2Å; C761-C763 VanDerWaalsContact O-N 3.13Å; C763-C780 WeakPolarHBondContact CA-SG 3.34Å; C763-C780 HydrophobicContact CB-CB 3.72Å; C763-C780 WeakPolarHBondContact CB-SG 3.22Å; C763-C780 WeakPolarHBondContact SG-CB 3.37Å; C763-C780 CovalentContact SG-SG 2.03Å; C763-C780 PolarHBondContact SG-SG 2.66Å
764D88.5Confident84.9Confident45 Ų4543.3 Ų43.324%0.24126%0.264CS..  trans-69.2121174.6180-85.2000110.6D762 T766 G767 S768 R790 E792D762-D764 PolarHBondContact O-N 3.19Å; D764-T766 PolarHBondContact O-N 2.93Å; D764-T766 VanDerWaalsContact OD1-CA 3.26Å; D764-T766 WeakPolarHBondContact OD1-CA 3.3Å; D764-T766 WeakPolarHBondContact OD1-CB 3.47Å; D764-T766 PolarHBondContact OD1-N 3.22Å; D764-T766 PolarHBondContact OD1-OG1 3.3Å; D764-G767 PolarHBondContact O-N 2.92Å; D764-G767 PolarHBondContact OD1-N 2.83Å; D764-S768 VanDerWaalsContact O-CB 3.23Å; D764-S768 WeakPolarHBondContact O-CB 3.43Å; D764-S768 PolarHBondContact O-N 3.19Å; D764-S768 PolarHBondContact O-OG 2.92Å; D764-S768 VanDerWaalsContact O-OG 3.05Å; D764-R790 PolarHBondContact N-O 3.17Å; D764-E792 HydrophobicContact CB-CB 4.42Å
765P86.3Confident84.8Confident111 Ų11146.4 Ų46.472%0.72128%0.284SS*.THydrogen-bonded Turntrans-70.4-14.2-173.929.1-36.3000114
766T88.1Confident84.6Confident51 Ų5148 Ų4831%0.31329%0.292SS..THydrogen-bonded Turntrans-81.2-50.7176.9-45.50000109.9D764 K783 F801D764-T766 PolarHBondContact O-N 2.93Å; D764-T766 VanDerWaalsContact OD1-CA 3.26Å; D764-T766 WeakPolarHBondContact OD1-CA 3.3Å; D764-T766 WeakPolarHBondContact OD1-CB 3.47Å; D764-T766 PolarHBondContact OD1-N 3.22Å; D764-T766 PolarHBondContact OD1-OG1 3.3Å; T766-K783 WeakPolarHBondContact O-CD 3.4Å; T766-K783 PolarHBondContact O-NZ 2.7Å; T766-F801 HydrophobicContact CG2-CD1 4.14Å; T766-F801 HydrophobicContact CG2-CE1 3.78Å; T766-F801 HydrophobicContact CG2-CZ 4.36Å
767G85.6Confident84.4Confident0 Ų045.4 Ų45.40%028%0.283CS..THydrogen-bonded Turntrans-97-14.5-173.600000115.8D764 K783 C791D764-G767 PolarHBondContact O-N 2.92Å; D764-G767 PolarHBondContact OD1-N 2.83Å; G767-K783 WeakPolarHBondContact O-CB 3.46Å; G767-K783 WeakPolarHBondContact O-CG 3.26Å; G767-K783 PolarHBondContact O-N 3.22Å; G767-C791 CarbonylContact C-O 3.49Å; G767-C791 VanDerWaalsContact CA-O 3.24Å; G767-C791 WeakPolarHBondContact CA-O 3.36Å
768S88.8Confident84.3Confident5 Ų541.5 Ų41.54%0.03527%0.265CS..EExtended strand (participates in β ladder)trans-92.1154.4171.590.80000112.8D764 S770 H781 K783D764-S768 VanDerWaalsContact O-CB 3.23Å; D764-S768 WeakPolarHBondContact O-CB 3.43Å; D764-S768 PolarHBondContact O-N 3.19Å; D764-S768 PolarHBondContact O-OG 2.92Å; D764-S768 VanDerWaalsContact O-OG 3.05Å; S768-S770 PolarHBondContact OG-O 3.18Å; S768-H781 CarbonylContact C-O 3.46Å; S768-H781 WeakPolarHBondContact CA-O 3.37Å; S768-K783 WeakPolarHBondContact O-CE 3.4Å; S768-K783 PolarHBondContact O-NZ 3.04Å
769V86Confident84.4Confident101 Ų10145.8 Ų45.861%0.61229%0.285SS*.EExtended strand (participates in β ladder)trans-78.9-29.4175.41780000111.4H781 K783V769-H781 HydrophobicContact CB-CB 4.23Å; V769-H781 WeakPolarHBondContact CG2-O 3.36Å; V769-H781 PolarHBondContact N-O 2.99Å; V769-K783 HydrophobicContact CG2-CG 3.85Å
770S84Confident84.6Confident46 Ų4645.2 Ų45.232%0.32228%0.281SS..EExtended strand (participates in β ladder)trans-152.3159.9177.579.50000111.6S768 I772S768-S770 PolarHBondContact OG-O 3.18Å; S770-I772 PolarHBondContact O-N 3.19Å; S770-I772 PolarHBondContact OG-N 3.36Å; S770-I772 PolarHBondContact OG-O 3.47Å; S770-I772 VanDerWaalsContact OG-O 3.07Å
771G82.3Confident84.7Confident54 Ų5449.7 Ų49.756%0.55730%0.296SS*.EExtended strand (participates in β ladder)trans-72.3-1.9170.200000114.4
772I83.9Confident84.7Confident101 Ų10151.4 Ų51.452%0.51831%0.307SS..EExtended strand (participates in β ladder)trans-96.5125177.7-55.6173.3000108S770S770-I772 PolarHBondContact O-N 3.19Å; S770-I772 PolarHBondContact OG-N 3.36Å; S770-I772 PolarHBondContact OG-O 3.47Å; S770-I772 VanDerWaalsContact OG-O 3.07Å
773C86.2Confident84.6Confident5 Ų548.9 Ų48.93%0.03429%0.292CS..EExtended strand (participates in β ladder)trans-99.8171.6173.567.70000111.4F540 C761 G778F540-C773 WeakPolarHBondContact CD1-SG 3.28Å; C761-C773 VanDerWaalsContact CA-SG 3.54Å; C761-C773 HydrophobicContact CB-CB 3.6Å; C761-C773 WeakPolarHBondContact CB-SG 3.4Å; C761-C773 WeakPolarHBondContact SG-CB 3.35Å; C761-C773 PolarHBondContact SG-N 3.31Å; C761-C773 CovalentContact SG-SG 2.03Å; C761-C773 PolarHBondContact SG-SG 3.07Å; C773-G778 WeakPolarHBondContact CB-O 3.3Å
774N83Confident84.3Confident63 Ų6354 Ų5434%0.33732%0.317SS..PPolyproline II helixtrans-60.6126.8174.2-171.7-38.3000110.4F540 I776 G778 Q779F540-N774 VanDerWaalsContact CB-O 3.29Å; F540-N774 WeakPolarHBondContact CB-O 3.02Å; N774-I776 PolarHBondContact O-N 3.03Å; N774-I776 PolarHBondContact OD1-N 2.97Å; N774-I776 PolarHBondContact OD1-O 3.46Å; N774-G778 WeakPolarHBondContact O-CA 3.06Å; N774-G778 PolarHBondContact O-N 2.8Å; N774-G778 VanDerWaalsContact O-N 3.12Å; N774-Q779 PolarHBondContact N-O 2.99Å
775P78.1Confident84.1Confident69 Ų6955.5 Ų55.545%0.44832%0.323SS..THydrogen-bonded Turntrans-62.8-10.8-177.326-36.6000114.3P535 C541P535-P775 HydrophobicContact CG-CB 3.79Å; C541-P775 PolarHBondContact N-O 2.94Å
776I76.7Confident84.1Confident45 Ų4550.7 Ų50.723%0.23129%0.291CS..BIsolated β-bridgetrans-121.8124.2168.4-50.4177.6000108.5I736 N774 G778I736-I776 HydrophobicContact CD1-CB 3.9Å; I736-I776 HydrophobicContact CD1-CG2 3.57Å; I736-I776 WeakPolarHBondContact CD1-O 3.39Å; I736-I776 HydrophobicContact CG1-CG2 4.3Å; I736-I776 HydrophobicContact CG2-CD1 4.48Å; N774-I776 PolarHBondContact O-N 3.03Å; N774-I776 PolarHBondContact OD1-N 2.97Å; N774-I776 PolarHBondContact OD1-O 3.46Å; I776-G778 VanDerWaalsContact C-N 3.27Å; I776-G778 PolarHBondContact O-N 2.89Å
777G75.4Confident83.8Confident20 Ų2049.4 Ų49.421%0.20628%0.282CS..THydrogen-bonded Turntrans81.4-17.7179.200000116.2F540 C541 Q779 Q789F540-G777 VanDerWaalsContact CD2-C 3.48Å; C541-G777 PolarHBondContact O-N 2.79Å; G777-Q779 PolarHBondContact O-N 3.03Å; G777-Q789 PolarHBondContact O-NE2 3.09Å
778G81.6Confident83.4Confident0 Ų050.6 Ų50.60%030%0.295CS..  trans77.215.8165.800000116.6F540 C773 N774 I776 C780F540-G778 VanDerWaalsContact CD1-CA 3.48Å; C773-G778 WeakPolarHBondContact CB-O 3.3Å; N774-G778 WeakPolarHBondContact O-CA 3.06Å; N774-G778 PolarHBondContact O-N 2.8Å; N774-G778 VanDerWaalsContact O-N 3.12Å; I776-G778 VanDerWaalsContact C-N 3.27Å; I776-G778 PolarHBondContact O-N 2.89Å; G778-C780 PolarHBondContact O-N 3.46Å
779Q84.1Confident83Confident89 Ų8953.3 Ų53.342%0.41631%0.307SS..  trans-65.2120.4174.8179.260.359.400110.2N774 G777 G788 Q789N774-Q779 PolarHBondContact N-O 2.99Å; G777-Q779 PolarHBondContact O-N 3.03Å; Q779-G788 PolarHBondContact NE2-O 3.23Å; Q779-Q789 PolarHBondContact NE2-O 3.08Å
780C87.9Confident83.1Confident2 Ų253.2 Ų53.21%0.01430%0.295CS..EExtended strand (participates in β ladder)trans-71.5147.6170.8-62.40000110.7C763 G778 C782 Q789 C791C763-C780 WeakPolarHBondContact CA-SG 3.34Å; C763-C780 HydrophobicContact CB-CB 3.72Å; C763-C780 WeakPolarHBondContact CB-SG 3.22Å; C763-C780 WeakPolarHBondContact SG-CB 3.37Å; C763-C780 CovalentContact SG-SG 2.03Å; C763-C780 PolarHBondContact SG-SG 2.66Å; G778-C780 PolarHBondContact O-N 3.46Å; C780-C782 PolarHBondContact O-N 3.02Å; C780-Q789 WeakPolarHBondContact CB-O 3.19Å; C780-Q789 PolarHBondContact N-O 3.38Å; C780-Q789 PolarHBondContact SG-O 2.99Å; C780-Q789 VanDerWaalsContact SG-O 3.35Å; C780-C791 VanDerWaalsContact CB-SG 3.54Å; C780-C791 PolarHBondContact O-SG 3.01Å; C780-C791 VanDerWaalsContact O-SG 3.38Å
781H87.6Confident83.3Confident117 Ų11751 Ų5154%0.54228%0.28SS..EExtended strand (participates in β ladder)trans-73.698.4174.9-76.7-86.4000109.9S768 V769S768-H781 CarbonylContact C-O 3.46Å; S768-H781 WeakPolarHBondContact CA-O 3.37Å; V769-H781 HydrophobicContact CB-CB 4.23Å; V769-H781 WeakPolarHBondContact CG2-O 3.36Å; V769-H781 PolarHBondContact N-O 2.99Å
782C87.1Confident83.5Confident38 Ų3852.4 Ų52.426%0.25727%0.272SS..EExtended strand (participates in β ladder)trans-75.4145.4-179.2-53.90000112.1C780 V786 C791C780-C782 PolarHBondContact O-N 3.02Å; C782-V786 HydrophobicContact CB-CB 4.09Å; C782-V786 HydrophobicContact CB-CG1 4.16Å; C782-V786 WeakPolarHBondContact CB-O 2.94Å; C782-C791 WeakPolarHBondContact CA-SG 3.28Å; C782-C791 HydrophobicContact CB-CB 3.66Å; C782-C791 WeakPolarHBondContact CB-SG 3.36Å; C782-C791 PolarHBondContact N-SG 3.41Å; C782-C791 VanDerWaalsContact SG-CA 3.56Å; C782-C791 WeakPolarHBondContact SG-CB 3.35Å; C782-C791 CovalentContact SG-SG 2.04Å; C782-C791 PolarHBondContact SG-SG 2.04Å
783K86.5Confident83.6Confident46 Ų4651.1 Ų51.120%0.226%0.264CS..PPolyproline II helixtrans-67.1166.8169.3-70.2172.5-178.7159.20110.5T766 G767 S768 V769 H785 V786 P803T766-K783 WeakPolarHBondContact O-CD 3.4Å; T766-K783 PolarHBondContact O-NZ 2.7Å; G767-K783 WeakPolarHBondContact O-CB 3.46Å; G767-K783 WeakPolarHBondContact O-CG 3.26Å; G767-K783 PolarHBondContact O-N 3.22Å; S768-K783 WeakPolarHBondContact O-CE 3.4Å; S768-K783 PolarHBondContact O-NZ 3.04Å; V769-K783 HydrophobicContact CG2-CG 3.85Å; K783-H785 PolarHBondContact O-N 3.26Å; K783-V786 HydrophobicContact CB-CG2 4.24Å; K783-V786 WeakPolarHBondContact O-CB 3.25Å; K783-V786 PolarHBondContact O-N 3.41Å; K783-P803 VanDerWaalsContact CD-O 3.29Å; K783-P803 WeakPolarHBondContact CD-O 3.09Å; K783-P803 WeakPolarHBondContact CE-O 3.12Å; K783-P803 PolarHBondContact NZ-O 2.98Å
784L83.6Confident83.6Confident127 Ų12751.9 Ų51.967%0.66527%0.269SS*.THydrogen-bonded Turntrans-55.2133.4-177.1-165.970.5000110.8V786 C806L784-V786 PolarHBondContact O-N 3.27Å; L784-V786 VanDerWaalsContact O-N 3.15Å; L784-C806 PolarHBondContact O-N 2.89Å
785H83.7Confident83.4Confident75 Ų7548.9 Ų48.935%0.34725%0.253SS..THydrogen-bonded Turntrans58.915.7-176.7-52.5-62.4000116.5K783 A795 T798 C806K783-H785 PolarHBondContact O-N 3.26Å; H785-A795 WeakPolarHBondContact O-CB 3.22Å; H785-A795 PolarHBondContact O-N 3.46Å; H785-T798 HydrophobicContact CB-CG2 3.73Å; H785-C806 HydrophobicContact CB-CB 3.95Å; H785-C806 PolarHBondContact CD2-O 3.19Å; H785-C806 VanDerWaalsContact CD2-O 3.25Å
786V86.8Confident83.6Confident10 Ų1046.1 Ų46.16%0.06124%0.235CC..EExtended strand (participates in β ladder)trans-97.3143169.5177.30000110.2C782 K783 L784 C791 Q793 F801C782-V786 HydrophobicContact CB-CB 4.09Å; C782-V786 HydrophobicContact CB-CG1 4.16Å; C782-V786 WeakPolarHBondContact CB-O 2.94Å; K783-V786 HydrophobicContact CB-CG2 4.24Å; K783-V786 WeakPolarHBondContact O-CB 3.25Å; K783-V786 PolarHBondContact O-N 3.41Å; L784-V786 PolarHBondContact O-N 3.27Å; L784-V786 VanDerWaalsContact O-N 3.15Å; V786-C791 VanDerWaalsContact CG1-C 3.45Å; V786-C791 HydrophobicContact CG1-CB 3.66Å; V786-C791 VanDerWaalsContact CG1-O 3.23Å; V786-C791 WeakPolarHBondContact CG1-O 3.07Å; V786-Q793 WeakPolarHBondContact CA-O 3.41Å; V786-Q793 WeakPolarHBondContact CG1-O 3.38Å; V786-F801 HydrophobicContact CG1-CE2 3.94Å; V786-F801 HydrophobicContact CG2-CD2 4.28Å; V786-F801 HydrophobicContact CG2-CE2 4.19Å
787I81.1Confident83.7Confident25 Ų2544.4 Ų44.413%0.12823%0.228CC..EExtended strand (participates in β ladder)trans-132.8170-179.966.4172.6000111.9P578 E792 Q793 A795P578-I787 HydrophobicContact CB-CD1 4Å; I787-E792 PolarHBondContact O-N 2.7Å; I787-Q793 HydrophobicContact CD1-CG 4.49Å; I787-Q793 HydrophobicContact CG1-CG 3.81Å; I787-Q793 PolarHBondContact N-O 2.88Å; I787-Q793 PolarHBondContact O-N 2.96Å; I787-A795 HydrophobicContact CG2-CB 4.09Å
788G77.5Confident84.3Confident25 Ų2543.8 Ų43.826%0.25822%0.221SC..SBendtrans107.8163.1-174.200000112.2Q779 R790 E792Q779-G788 PolarHBondContact NE2-O 3.23Å; G788-R790 VanDerWaalsContact C-N 3.29Å; G788-E792 VanDerWaalsContact CA-OE2 3.32Å; G788-E792 WeakPolarHBondContact CA-OE2 3.12Å
789Q79.2Confident84.6Confident62 Ų6245.2 Ų45.229%0.2923%0.227SC..SBendtrans-65.6-38.6176.5-171.6-167.333.100110.3G777 Q779 C780G777-Q789 PolarHBondContact O-NE2 3.09Å; Q779-Q789 PolarHBondContact NE2-O 3.08Å; C780-Q789 WeakPolarHBondContact CB-O 3.19Å; C780-Q789 PolarHBondContact N-O 3.38Å; C780-Q789 PolarHBondContact SG-O 2.99Å; C780-Q789 VanDerWaalsContact SG-O 3.35Å
790R88.1Confident84.7Confident98 Ų9842.5 Ų42.537%0.3722%0.223SC..SBendtrans-93.9-11.2-176.8-59.4171.4-178.6-130.8-17112.4D762 D764 G788 E792D762-R790 HydrophobicContact CB-CG 4.49Å; D762-R790 WeakPolarHBondContact O-CB 3.4Å; D762-R790 WeakPolarHBondContact O-CG 3.44Å; D762-R790 IonicContact OD2-CZ 3.81Å; D762-R790 IonicContact OD2-NH1 2.87Å; D762-R790 PolarHBondContact OD2-NH1 2.95Å; D762-R790 IonicContact OD2-NH2 3.97Å; D762-R790 PolarHBondContact OD2-NH2 3.31Å; D764-R790 PolarHBondContact N-O 3.17Å; G788-R790 VanDerWaalsContact C-N 3.29Å; R790-E792 WeakPolarHBondContact CA-OE2 3.24Å; R790-E792 PolarHBondContact N-OE2 2.94Å; R790-E792 VanDerWaalsContact N-OE2 3.16Å
791C89.1Confident84.7Confident0 Ų046 Ų460%024%0.238CC..  trans7347.6-177.8-47.70000113.4G767 C780 C782 V786G767-C791 CarbonylContact C-O 3.49Å; G767-C791 VanDerWaalsContact CA-O 3.24Å; G767-C791 WeakPolarHBondContact CA-O 3.36Å; C780-C791 VanDerWaalsContact CB-SG 3.54Å; C780-C791 PolarHBondContact O-SG 3.01Å; C780-C791 VanDerWaalsContact O-SG 3.38Å; C782-C791 WeakPolarHBondContact CA-SG 3.28Å; C782-C791 HydrophobicContact CB-CB 3.66Å; C782-C791 WeakPolarHBondContact CB-SG 3.36Å; C782-C791 PolarHBondContact N-SG 3.41Å; C782-C791 VanDerWaalsContact SG-CA 3.56Å; C782-C791 WeakPolarHBondContact SG-CB 3.35Å; C782-C791 CovalentContact SG-SG 2.04Å; C782-C791 PolarHBondContact SG-SG 2.04Å; V786-C791 VanDerWaalsContact CG1-C 3.45Å; V786-C791 HydrophobicContact CG1-CB 3.66Å; V786-C791 VanDerWaalsContact CG1-O 3.23Å; V786-C791 WeakPolarHBondContact CG1-O 3.07Å
792E87Confident84.4Confident84 Ų8441 Ų4139%0.39322%0.219SC..  trans-98.1-5.9-168.360-93.2-114.400115.2D764 I787 G788 R790 F801D764-E792 HydrophobicContact CB-CB 4.42Å; I787-E792 PolarHBondContact O-N 2.7Å; G788-E792 VanDerWaalsContact CA-OE2 3.32Å; G788-E792 WeakPolarHBondContact CA-OE2 3.12Å; R790-E792 WeakPolarHBondContact CA-OE2 3.24Å; R790-E792 PolarHBondContact N-OE2 2.94Å; R790-E792 VanDerWaalsContact N-OE2 3.16Å; E792-F801 VanDerWaalsContact C-CE2 3.48Å
793Q85.5Confident84.1Confident73 Ų7343.8 Ų43.834%0.34124%0.236SC..EExtended strand (participates in β ladder)trans-148.9155.7-174.862.8-176.6-21.200114.7V786 I787V786-Q793 WeakPolarHBondContact CA-O 3.41Å; V786-Q793 WeakPolarHBondContact CG1-O 3.38Å; I787-Q793 HydrophobicContact CD1-CG 4.49Å; I787-Q793 HydrophobicContact CG1-CG 3.81Å; I787-Q793 PolarHBondContact N-O 2.88Å; I787-Q793 PolarHBondContact O-N 2.96Å
794C85.7Confident83.9Confident21 Ų2149.8 Ų49.814%0.14227%0.265CS..EExtended strand (participates in β ladder)trans-71.9148.1174.4-66.60000112.9F801 C806C794-F801 PolarHBondContact SG-N 3.41Å; C794-F801 VanDerWaalsContact SG-N 3.4Å; C794-C806 WeakPolarHBondContact CA-SG 3.43Å; C794-C806 HydrophobicContact CB-CB 3.77Å; C794-C806 WeakPolarHBondContact CB-SG 3.4Å; C794-C806 WeakPolarHBondContact SG-CB 3.42Å; C794-C806 CovalentContact SG-SG 2.03Å; C794-C806 PolarHBondContact SG-SG 2.71Å
795A80.3Confident84Confident0 Ų043.9 Ų43.90%024%0.235CC..PPolyproline II helixtrans-62.9146.116400000112P567 H785 I787 T798P567-A795 HydrophobicContact CG-CB 3.68Å; H785-A795 WeakPolarHBondContact O-CB 3.22Å; H785-A795 PolarHBondContact O-N 3.46Å; I787-A795 HydrophobicContact CG2-CB 4.09Å; A795-T798 HydrophobicContact CB-CG2 4.33Å; A795-T798 PolarHBondContact O-N 2.87Å; A795-T798 VanDerWaalsContact O-N 3.12Å; A795-T798 PolarHBondContact O-OG1 2.84Å
796S80.6Confident84.2Confident11 Ų1140.7 Ų40.78%0.07722%0.221CC..THydrogen-bonded Turntrans-53.4138.7167.1-51.70000110.8R565 T798R565-S796 WeakPolarHBondContact O-CB 3.05Å; R565-S796 PolarHBondContact O-OG 3.49Å; S796-T798 VanDerWaalsContact C-N 3.33Å
797G79.6Confident84.2Confident9 Ų944 Ų449%0.09324%0.241CC..THydrogen-bonded Turntrans82.57.1-173.900000114.4C809G797-C809 WeakPolarHBondContact O-CB 3.28Å; G797-C809 PolarHBondContact O-N 2.83Å; G797-C809 PolarHBondContact O-SG 2.97Å
798T88.2Confident84.4Confident8 Ų843.9 Ų43.95%0.04924%0.244CC..EExtended strand (participates in β ladder)trans-133.8163177.777.20000112H785 A795 S796 C806 T807 L823H785-T798 HydrophobicContact CB-CG2 3.73Å; A795-T798 HydrophobicContact CB-CG2 4.33Å; A795-T798 PolarHBondContact O-N 2.87Å; A795-T798 VanDerWaalsContact O-N 3.12Å; A795-T798 PolarHBondContact O-OG1 2.84Å; S796-T798 VanDerWaalsContact C-N 3.33Å; T798-C806 WeakPolarHBondContact OG1-CB 3.35Å; T798-T807 CarbonylContact C-O 3.38Å; T798-T807 WeakPolarHBondContact CA-O 3.44Å; T798-T807 VanDerWaalsContact CB-O 3.23Å; T798-T807 WeakPolarHBondContact CB-O 3.47Å; T798-L823 WeakPolarHBondContact O-CD2 3.24Å
799F88.1Confident84.9Confident29 Ų2942.7 Ų42.713%0.12723%0.232CC..EExtended strand (participates in β ladder)trans-142.4164.8-175.376.2-81.3000112.9T807 A808 N822 L823 G826F799-T807 WeakPolarHBondContact CD1-O 3.4Å; F799-T807 HydrophobicContact CE1-CG2 3.96Å; F799-T807 HydrophobicContact CZ-CG2 4.24Å; F799-T807 PolarHBondContact N-O 2.9Å; F799-T807 PolarHBondContact O-N 2.91Å; F799-A808 WeakPolarHBondContact CE1-O 3.32Å; F799-N822 WeakPolarHBondContact CB-O 3.39Å; F799-L823 WeakPolarHBondContact CA-O 3.21Å; F799-G826 VanDerWaalsContact CD2-N 3.31Å
800G85.7Confident85.2Confident33 Ų3343.9 Ų43.934%0.3424%0.241SC..EExtended strand (participates in β ladder)trans79.849.9167.100000114.8G802 L823G800-G802 PolarHBondContact O-N 2.91Å; G800-L823 PolarHBondContact N-O 3.45Å
801F87.7Confident85.2Confident74 Ų7440.1 Ų40.133%0.32523%0.229SC..EExtended strand (participates in β ladder)trans-48.5113.5174.7-173.6-100.5000111.4T766 V786 E792 C794T766-F801 HydrophobicContact CG2-CD1 4.14Å; T766-F801 HydrophobicContact CG2-CE1 3.78Å; T766-F801 HydrophobicContact CG2-CZ 4.36Å; V786-F801 HydrophobicContact CG1-CE2 3.94Å; V786-F801 HydrophobicContact CG2-CD2 4.28Å; V786-F801 HydrophobicContact CG2-CE2 4.19Å; E792-F801 VanDerWaalsContact C-CE2 3.48Å; C794-F801 PolarHBondContact SG-N 3.41Å; C794-F801 VanDerWaalsContact SG-N 3.4Å
802G81.2Confident84.9Confident14 Ų1442.3 Ų42.314%0.14424%0.24CC..EExtended strand (participates in β ladder)trans-162.3-174.9-174.100000112.5G800 Q804 G805G800-G802 PolarHBondContact O-N 2.91Å; G802-Q804 PolarHBondContact O-N 2.45Å; G802-G805 PolarHBondContact N-O 3.38Å; G802-G805 PolarHBondContact O-N 2.91Å
803P82Confident84.8Confident95 Ų9543.7 Ų43.762%0.61726%0.259SS*.THydrogen-bonded Turntrans-65.1-11.2-17124.9-34.6000115K783K783-P803 VanDerWaalsContact CD-O 3.29Å; K783-P803 WeakPolarHBondContact CD-O 3.09Å; K783-P803 WeakPolarHBondContact CE-O 3.12Å; K783-P803 PolarHBondContact NZ-O 2.98Å
804Q82.4Confident84.6Confident173 Ų17344.2 Ų44.281%0.80827%0.268SS*.THydrogen-bonded Turntrans-96.4-2173.9-54-64.29.400113.5G802G802-Q804 PolarHBondContact O-N 2.45Å
805G84.4Confident84.4Confident3 Ų343.3 Ų43.33%0.03126%0.261CS..EExtended strand (participates in β ladder)trans101.5-136-169.500000111.8G802G802-G805 PolarHBondContact N-O 3.38Å; G802-G805 PolarHBondContact O-N 2.91Å
806C88.5Confident84.6Confident8 Ų843.5 Ų43.55%0.05426%0.263CS..EExtended strand (participates in β ladder)trans-127.6158.8173.2-58.30000111L784 H785 C794 T798L784-C806 PolarHBondContact O-N 2.89Å; H785-C806 HydrophobicContact CB-CB 3.95Å; H785-C806 PolarHBondContact CD2-O 3.19Å; H785-C806 VanDerWaalsContact CD2-O 3.25Å; C794-C806 WeakPolarHBondContact CA-SG 3.43Å; C794-C806 HydrophobicContact CB-CB 3.77Å; C794-C806 WeakPolarHBondContact CB-SG 3.4Å; C794-C806 WeakPolarHBondContact SG-CB 3.42Å; C794-C806 CovalentContact SG-SG 2.03Å; C794-C806 PolarHBondContact SG-SG 2.71Å; T798-C806 WeakPolarHBondContact OG1-CB 3.35Å
807T87.2Confident84.5Confident78 Ų7848.5 Ų48.548%0.47929%0.288SS..EExtended strand (participates in β ladder)trans-111.6138.7-174.8-540000110.9T798 F799T798-T807 CarbonylContact C-O 3.38Å; T798-T807 WeakPolarHBondContact CA-O 3.44Å; T798-T807 VanDerWaalsContact CB-O 3.23Å; T798-T807 WeakPolarHBondContact CB-O 3.47Å; F799-T807 WeakPolarHBondContact CD1-O 3.4Å; F799-T807 HydrophobicContact CE1-CG2 3.96Å; F799-T807 HydrophobicContact CZ-CG2 4.24Å; F799-T807 PolarHBondContact N-O 2.9Å; F799-T807 PolarHBondContact O-N 2.91Å
808A85.5Confident84.5Confident23 Ų2350.9 Ų50.919%0.1930%0.299CS..EExtended strand (participates in β ladder)trans-60.614617800000113.3F799 D810F799-A808 WeakPolarHBondContact CE1-O 3.32Å; A808-D810 VanDerWaalsContact CB-OD1 3.3Å; A808-D810 WeakPolarHBondContact CB-OD1 3.23Å
809C86.5Confident84.2Confident1 Ų153.4 Ų53.41%0.00731%0.312CS..  trans-68.3-39.2179.7-74.10000113G797 C811 N819 C821 R837G797-C809 WeakPolarHBondContact O-CB 3.28Å; G797-C809 PolarHBondContact O-N 2.83Å; G797-C809 PolarHBondContact O-SG 2.97Å; C809-C811 PolarHBondContact O-N 3.18Å; C809-N819 WeakPolarHBondContact CB-O 3.36Å; C809-C821 WeakPolarHBondContact CA-SG 3.42Å; C809-C821 HydrophobicContact CB-CB 3.61Å; C809-C821 WeakPolarHBondContact CB-SG 3.37Å; C809-C821 WeakPolarHBondContact SG-CB 3.16Å; C809-C821 PolarHBondContact SG-N 2.83Å; C809-C821 CovalentContact SG-SG 2.03Å; C809-C821 PolarHBondContact SG-SG 2.86Å; C809-R837 PolarHBondContact O-NH1 2.89Å; C809-R837 PolarHBondContact O-NH2 2.69Å; C809-R837 VanDerWaalsContact O-NH2 3.11Å
810D87.1Confident84Confident87 Ų8756.6 Ų56.647%0.46533%0.326SS..  trans50.147.3173.6-58.3-27.8000114.8A808 Q838A808-D810 VanDerWaalsContact CB-OD1 3.3Å; A808-D810 WeakPolarHBondContact CB-OD1 3.23Å; D810-Q838 WeakPolarHBondContact O-CB 3.41Å; D810-Q838 WeakPolarHBondContact O-CG 3.35Å; D810-Q838 PolarHBondContact O-NE2 3.49Å
811C87Confident83.9Confident18 Ų1855.8 Ų55.812%0.12232%0.315CS..  trans-75.3131.6-177.1-57.60000112.2C809 S813 D818 N819 C828C809-C811 PolarHBondContact O-N 3.18Å; C811-S813 PolarHBondContact O-N 2.84Å; C811-D818 VanDerWaalsContact CB-O 3.3Å; C811-D818 WeakPolarHBondContact CB-O 3.07Å; C811-D818 PolarHBondContact SG-O 3.08Å; C811-N819 PolarHBondContact N-OD1 3.23Å; C811-C828 WeakPolarHBondContact CA-SG 3.35Å; C811-C828 HydrophobicContact CB-CB 3.69Å; C811-C828 WeakPolarHBondContact CB-SG 3.23Å; C811-C828 WeakPolarHBondContact SG-CB 3.36Å; C811-C828 CovalentContact SG-SG 2.03Å; C811-C828 PolarHBondContact SG-SG 2.92Å
812N83.9Confident83.7Confident46 Ų4656.3 Ų56.325%0.24632%0.321CS..  trans-64.4119.7179.7-176.3-60000110.8V814 G815 S816 Q838 D840N812-V814 PolarHBondContact O-N 2.88Å; N812-V814 VanDerWaalsContact O-N 3.15Å; N812-V814 WeakPolarHBondContact OD1-CB 3.47Å; N812-V814 PolarHBondContact OD1-N 3.36Å; N812-G815 PolarHBondContact O-N 3.17Å; N812-G815 PolarHBondContact OD1-N 2.95Å; N812-G815 VanDerWaalsContact OD1-N 3.1Å; N812-S816 PolarHBondContact N-OG 3.35Å; N812-S816 WeakPolarHBondContact O-CA 3.41Å; N812-S816 WeakPolarHBondContact O-CB 3.41Å; N812-S816 PolarHBondContact O-N 3.26Å; N812-S816 PolarHBondContact O-OG 3.39Å; N812-Q838 WeakPolarHBondContact CB-O 3.41Å; N812-Q838 PolarHBondContact N-O 3.04Å; N812-D840 HydrophobicContact CB-CB 4.25Å
813S83.2Confident83.5Confident113 Ų11360.9 Ų60.979%0.7934%0.342SS*.THydrogen-bonded Turntrans-65.4-18.3-173.857.10000115.4C811C811-S813 PolarHBondContact O-N 2.84Å
814V82.8Confident83.4Confident85 Ų8565 Ų6552%0.51535%0.35SS..THydrogen-bonded Turntrans-90-46.4176.1-178.50000110.7N812 R831N812-V814 PolarHBondContact O-N 2.88Å; N812-V814 VanDerWaalsContact O-N 3.15Å; N812-V814 WeakPolarHBondContact OD1-CB 3.47Å; N812-V814 PolarHBondContact OD1-N 3.36Å; V814-R831 VanDerWaalsContact O-CD 3.3Å; V814-R831 WeakPolarHBondContact O-CD 3.39Å; V814-R831 PolarHBondContact O-NE 3.07Å
815G79.8Confident83.4Confident1 Ų161 Ų611%0.0134%0.338CS..THydrogen-bonded Turntrans-90.4-13.7-175.800000116N812 C830 R831 C839N812-G815 PolarHBondContact O-N 3.17Å; N812-G815 PolarHBondContact OD1-N 2.95Å; N812-G815 VanDerWaalsContact OD1-N 3.1Å; G815-C830 CarbonylContact O-C 3.58Å; G815-C830 WeakPolarHBondContact O-CA 3.13Å; G815-R831 WeakPolarHBondContact O-CG 3.34Å; G815-R831 PolarHBondContact O-N 2.9Å; G815-C839 VanDerWaalsContact CA-O 3.3Å; G815-C839 WeakPolarHBondContact CA-O 3.16Å; G815-C839 WeakPolarHBondContact O-CB 3.49Å
816S85.2Confident83.3Confident5 Ų560.9 Ų60.94%0.03534%0.336CS..BIsolated β-bridgetrans-100.8173.9176.9-58.40000113.6N812 K829 Q838 C839N812-S816 PolarHBondContact N-OG 3.35Å; N812-S816 WeakPolarHBondContact O-CA 3.41Å; N812-S816 WeakPolarHBondContact O-CB 3.41Å; N812-S816 PolarHBondContact O-N 3.26Å; N812-S816 PolarHBondContact O-OG 3.39Å; S816-K829 CarbonylContact C-O 3.5Å; S816-K829 WeakPolarHBondContact CA-O 3.44Å; S816-Q838 PolarHBondContact OG-O 2.9Å; S816-C839 WeakPolarHBondContact OG-CB 3.02Å; S816-C839 PolarHBondContact OG-SG 3.3Å; S816-C839 VanDerWaalsContact OG-SG 3.38Å
817L79.5Confident83.3Confident116 Ų11664.6 Ų64.661%0.60735%0.353SS*.SBendtrans-98.7-37.9173.4-60.1-179.7000114.6K829L817-K829 HydrophobicContact CB-CB 4.16Å; L817-K829 HydrophobicContact CD1-CB 3.98Å; L817-K829 HydrophobicContact CG-CB 4.14Å; L817-K829 PolarHBondContact N-O 2.88Å
818D79.6Confident83.3Confident59 Ų5961.1 Ų61.132%0.31633%0.331SS..  trans-155.6172.6179.257.567000110.4C811 F820 K829C811-D818 VanDerWaalsContact CB-O 3.3Å; C811-D818 WeakPolarHBondContact CB-O 3.07Å; C811-D818 PolarHBondContact SG-O 3.08Å; D818-F820 WeakPolarHBondContact OD1-CB 3.29Å; D818-F820 PolarHBondContact OD1-N 2.62Å; D818-K829 IonicContact OD1-NZ 2.64Å; D818-K829 PolarHBondContact OD1-NZ 2.56Å; D818-K829 IonicContact OD2-NZ 2.74Å; D818-K829 PolarHBondContact OD2-NZ 2.85Å
819N81.7Confident83.3Confident61 Ų6164.7 Ų64.733%0.32634%0.343SS..SBendtrans-86.1-2.2179.3-16347.3000113.9E566 C809 C811 C821E566-N819 PolarHBondContact OE1-ND2 3.48Å; C809-N819 WeakPolarHBondContact CB-O 3.36Å; C811-N819 PolarHBondContact N-OD1 3.23Å; N819-C821 PolarHBondContact O-N 2.9Å
820F82.8Confident83.2Confident95 Ų9567 Ų6742%0.41736%0.358SS..  trans-87.8104-177.9-61.8-67.5000110.7E566 D818E566-F820 HydrophobicContact CG-CE1 4.25Å; D818-F820 WeakPolarHBondContact OD1-CB 3.29Å; D818-F820 PolarHBondContact OD1-N 2.62Å
821C85.1Confident82.9Confident16 Ų1669.7 Ų69.711%0.10836%0.362CS..  trans-90170.3174.172.50000112.6C809 N819 L823 G826 Q827C809-C821 WeakPolarHBondContact CA-SG 3.42Å; C809-C821 HydrophobicContact CB-CB 3.61Å; C809-C821 WeakPolarHBondContact CB-SG 3.37Å; C809-C821 WeakPolarHBondContact SG-CB 3.16Å; C809-C821 PolarHBondContact SG-N 2.83Å; C809-C821 CovalentContact SG-SG 2.03Å; C809-C821 PolarHBondContact SG-SG 2.86Å; N819-C821 PolarHBondContact O-N 2.9Å; C821-L823 PolarHBondContact O-N 3.02Å; C821-G826 WeakPolarHBondContact CB-O 3.48Å; C821-Q827 WeakPolarHBondContact CA-O 3.29Å
822N81.9Confident82.5Confident85 Ų8578.1 Ų78.146%0.45540%0.399SS..  trans-67.4123.7175.3-178.1-68.4000111.2F799 K824 T825 G826 Q827F799-N822 WeakPolarHBondContact CB-O 3.39Å; N822-K824 PolarHBondContact O-N 3.31Å; N822-K824 PolarHBondContact OD1-N 3.37Å; N822-T825 VanDerWaalsContact CB-OG1 3.31Å; N822-T825 WeakPolarHBondContact CB-OG1 3.2Å; N822-T825 PolarHBondContact O-N 2.04Å; N822-T825 PolarHBondContact OD1-N 3.23Å; N822-G826 PolarHBondContact O-N 3.47Å; N822-Q827 PolarHBondContact N-O 2.94Å
823L78.4Confident81.9Confident110 Ų11077.3 Ų77.358%0.57640%0.402SS*.THydrogen-bonded Turntrans-52.7-20-178-65.5173.1000115.4T798 F799 G800 C821T798-L823 WeakPolarHBondContact O-CD2 3.24Å; F799-L823 WeakPolarHBondContact CA-O 3.21Å; G800-L823 PolarHBondContact N-O 3.45Å; C821-L823 PolarHBondContact O-N 3.02Å
824K79.1Confident81.8Confident182 Ų18272.8 Ų72.879%0.79137%0.37SS*.THydrogen-bonded Turntrans-104.8-42.8175.6-65.6-171177.4-172.90113.7N822N822-K824 PolarHBondContact O-N 3.31Å; N822-K824 PolarHBondContact OD1-N 3.37Å
825T81.3Confident81.8Confident90 Ų9075.9 Ų75.955%0.55237%0.373SS*.THydrogen-bonded Turntrans-100.9-12.7-17169.10000115N822 Q827N822-T825 VanDerWaalsContact CB-OG1 3.31Å; N822-T825 WeakPolarHBondContact CB-OG1 3.2Å; N822-T825 PolarHBondContact O-N 2.04Å; N822-T825 PolarHBondContact OD1-N 3.23Å; T825-Q827 PolarHBondContact O-N 2.83Å; T825-Q827 VanDerWaalsContact O-N 3.14Å
826G84.2Confident81.9Confident0 Ų076 Ų760%038%0.375CS..  trans68.85.6-179.200000115.4F799 C821 N822 C828 R837F799-G826 VanDerWaalsContact CD2-N 3.31Å; C821-G826 WeakPolarHBondContact CB-O 3.48Å; N822-G826 PolarHBondContact O-N 3.47Å; G826-C828 PolarHBondContact O-N 3.06Å; G826-R837 VanDerWaalsContact O-CG 3.23Å; G826-R837 WeakPolarHBondContact O-CG 3.46Å; G826-R837 PolarHBondContact O-NH1 2.04Å
827Q86.7Confident82Confident85 Ų8579.3 Ų79.340%0.39739%0.387SS..  trans-72.4126.1-177.2-177.259.953.200111.7C821 N822 T825 G836 R837C821-Q827 WeakPolarHBondContact CA-O 3.29Å; N822-Q827 PolarHBondContact N-O 2.94Å; T825-Q827 PolarHBondContact O-N 2.83Å; T825-Q827 VanDerWaalsContact O-N 3.14Å; Q827-G836 PolarHBondContact NE2-O 2.9Å; Q827-G836 VanDerWaalsContact NE2-O 3.08Å; Q827-R837 PolarHBondContact NE2-O 3.2Å
828C88.2Confident82.5Confident5 Ų576.7 Ų76.73%0.03437%0.372CS..  trans-83.6163.7170-57.70000111.6C811 G826 R837C811-C828 WeakPolarHBondContact CA-SG 3.35Å; C811-C828 HydrophobicContact CB-CB 3.69Å; C811-C828 WeakPolarHBondContact CB-SG 3.23Å; C811-C828 WeakPolarHBondContact SG-CB 3.36Å; C811-C828 CovalentContact SG-SG 2.03Å; C811-C828 PolarHBondContact SG-SG 2.92Å; G826-C828 PolarHBondContact O-N 3.06Å; C828-R837 WeakPolarHBondContact CB-O 3.22Å; C828-R837 PolarHBondContact N-O 3Å; C828-R837 PolarHBondContact SG-O 3.05Å; C828-R837 VanDerWaalsContact SG-O 3.37Å
829K86.1Confident82.9Confident99 Ų9973.9 Ų73.943%0.4336%0.357SS..  trans-92.2107.1-177.9-56.3169.4-167.6118.70110.5S816 L817 D818S816-K829 CarbonylContact C-O 3.5Å; S816-K829 WeakPolarHBondContact CA-O 3.44Å; L817-K829 HydrophobicContact CB-CB 4.16Å; L817-K829 HydrophobicContact CD1-CB 3.98Å; L817-K829 HydrophobicContact CG-CB 4.14Å; L817-K829 PolarHBondContact N-O 2.88Å; D818-K829 IonicContact OD1-NZ 2.64Å; D818-K829 PolarHBondContact OD1-NZ 2.56Å; D818-K829 IonicContact OD2-NZ 2.74Å; D818-K829 PolarHBondContact OD2-NZ 2.85Å
830C84.8Confident83.1Confident49 Ų4973.1 Ų73.133%0.33135%0.352SS..BIsolated β-bridgetrans-91.6161.4-169.4-51.40000116.2G815 G836 C839G815-C830 CarbonylContact O-C 3.58Å; G815-C830 WeakPolarHBondContact O-CA 3.13Å; C830-G836 PolarHBondContact SG-O 3.06Å; C830-C839 WeakPolarHBondContact CA-SG 3.29Å; C830-C839 HydrophobicContact CB-CB 3.54Å; C830-C839 WeakPolarHBondContact CB-SG 3.46Å; C830-C839 PolarHBondContact N-SG 3.5Å; C830-C839 VanDerWaalsContact N-SG 3.37Å; C830-C839 WeakPolarHBondContact SG-CB 3.43Å; C830-C839 CovalentContact SG-SG 2.03Å; C830-C839 PolarHBondContact SG-SG 2.88Å
831R80.7Confident83.2Confident143 Ų14372.4 Ų72.454%0.5435%0.35SS..PPolyproline II helixtrans-87.4167.1169.5-64.9179.5-170.3-110.10.3113.1V814 G815 V834V814-R831 VanDerWaalsContact O-CD 3.3Å; V814-R831 WeakPolarHBondContact O-CD 3.39Å; V814-R831 PolarHBondContact O-NE 3.07Å; G815-R831 WeakPolarHBondContact O-CG 3.34Å; G815-R831 PolarHBondContact O-N 2.9Å; R831-V834 PolarHBondContact O-N 3.29Å
832E77.2Confident83Confident195 Ų19571.7 Ų71.791%0.91135%0.346SS*.THydrogen-bonded Turntrans-68.6144.7-179.6-170.8171.2-164.200112.8V834E832-V834 PolarHBondContact O-N 3.25Å; E832-V834 VanDerWaalsContact O-N 3.1Å
833G72.1Confident82.9Confident30 Ų3072.5 Ų72.531%0.30935%0.347SS..THydrogen-bonded Turntrans73.1-13.8-173.900000115.2Q843G833-Q843 PolarHBondContact O-N 2.97Å
834V81.4Confident82.7Confident18 Ų1872.2 Ų72.211%0.10935%0.351CS..EExtended strand (participates in β ladder)trans-101.5146.5-179176.60000110.7R831 E832 C839 Q841 F849R831-V834 PolarHBondContact O-N 3.29Å; E832-V834 PolarHBondContact O-N 3.25Å; E832-V834 VanDerWaalsContact O-N 3.1Å; V834-C839 HydrophobicContact CG1-CB 4.18Å; V834-C839 WeakPolarHBondContact CG1-O 3.38Å; V834-Q841 CarbonylContact C-O 3.47Å; V834-Q841 VanDerWaalsContact CA-O 3.29Å; V834-Q841 WeakPolarHBondContact CA-O 3.05Å; V834-F849 HydrophobicContact CB-CE2 4.46Å; V834-F849 HydrophobicContact CG1-CD2 4.48Å; V834-F849 HydrophobicContact CG1-CE2 3.8Å; V834-F849 HydrophobicContact CG2-CD2 4.15Å; V834-F849 HydrophobicContact CG2-CE2 3.78Å
835Y82.5Confident82.3Confident149 Ų14964.7 Ų64.758%0.58433%0.325SS*.EExtended strand (participates in β ladder)trans-138.4171.4-179.2178.6-104.7000111.4C839 D840 Q841Y835-C839 CarbonylContact O-C 3.39Å; Y835-C839 WeakPolarHBondContact O-CA 3.28Å; Y835-D840 PolarHBondContact O-N 3.04Å; Y835-Q841 PolarHBondContact N-O 2.8Å; Y835-Q841 PolarHBondContact O-N 2.84Å
836G81.3Confident82.3Confident5 Ų564.6 Ų64.65%0.05232%0.317CS..THydrogen-bonded Turntrans118.9160.9177.500000113.1Q827 C830 Q838 C839Q827-G836 PolarHBondContact NE2-O 2.9Å; Q827-G836 VanDerWaalsContact NE2-O 3.08Å; C830-G836 PolarHBondContact SG-O 3.06Å; G836-Q838 PolarHBondContact O-N 2.88Å; G836-C839 PolarHBondContact O-N 2.01Å
837R87.1Confident82.3Confident74 Ų7468 Ų6828%0.27933%0.33SS..THydrogen-bonded Turntrans-58.6-39.6171.6-173.5-168.872.977.9-6.3110.7C809 G826 Q827 C828C809-R837 PolarHBondContact O-NH1 2.89Å; C809-R837 PolarHBondContact O-NH2 2.69Å; C809-R837 VanDerWaalsContact O-NH2 3.11Å; G826-R837 VanDerWaalsContact O-CG 3.23Å; G826-R837 WeakPolarHBondContact O-CG 3.46Å; G826-R837 PolarHBondContact O-NH1 2.04Å; Q827-R837 PolarHBondContact NE2-O 3.2Å; C828-R837 WeakPolarHBondContact CB-O 3.22Å; C828-R837 PolarHBondContact N-O 3Å; C828-R837 PolarHBondContact SG-O 3.05Å; C828-R837 VanDerWaalsContact SG-O 3.37Å
838Q90.1Very high82Confident61 Ų6165 Ų6529%0.28532%0.322SS..THydrogen-bonded Turntrans-97.9-2.5-178.1-59.3173.7-58.700112.6D810 N812 S816 G836D810-Q838 WeakPolarHBondContact O-CB 3.41Å; D810-Q838 WeakPolarHBondContact O-CG 3.35Å; D810-Q838 PolarHBondContact O-NE2 3.49Å; N812-Q838 WeakPolarHBondContact CB-O 3.41Å; N812-Q838 PolarHBondContact N-O 3.04Å; S816-Q838 PolarHBondContact OG-O 2.9Å; G836-Q838 PolarHBondContact O-N 2.88Å
839C87.9Confident81.5Confident0 Ų068 Ų680%034%0.335CS..THydrogen-bonded Turntrans62.655.1-177.9-42.10000113.3G815 S816 C830 V834 Y835 G836G815-C839 VanDerWaalsContact CA-O 3.3Å; G815-C839 WeakPolarHBondContact CA-O 3.16Å; G815-C839 WeakPolarHBondContact O-CB 3.49Å; S816-C839 WeakPolarHBondContact OG-CB 3.02Å; S816-C839 PolarHBondContact OG-SG 3.3Å; S816-C839 VanDerWaalsContact OG-SG 3.38Å; C830-C839 WeakPolarHBondContact CA-SG 3.29Å; C830-C839 HydrophobicContact CB-CB 3.54Å; C830-C839 WeakPolarHBondContact CB-SG 3.46Å; C830-C839 PolarHBondContact N-SG 3.5Å; C830-C839 VanDerWaalsContact N-SG 3.37Å; C830-C839 WeakPolarHBondContact SG-CB 3.43Å; C830-C839 CovalentContact SG-SG 2.03Å; C830-C839 PolarHBondContact SG-SG 2.88Å; V834-C839 HydrophobicContact CG1-CB 4.18Å; V834-C839 WeakPolarHBondContact CG1-O 3.38Å; Y835-C839 CarbonylContact O-C 3.39Å; Y835-C839 WeakPolarHBondContact O-CA 3.28Å; G836-C839 PolarHBondContact O-N 2.01Å
840D85.8Confident80.9Confident45 Ų4567.6 Ų67.624%0.24134%0.342CS..  trans-122.2-1.1-166.259.8-58.6000114.6N812 Y835N812-D840 HydrophobicContact CB-CB 4.25Å; Y835-D840 PolarHBondContact O-N 3.04Å
841Q84.8Confident80.6Confident80 Ų8071.6 Ų71.637%0.37436%0.355SS..EExtended strand (participates in β ladder)trans-130.7160.3-167.4-68.2167.929.800113.1V834 Y835V834-Q841 CarbonylContact C-O 3.47Å; V834-Q841 VanDerWaalsContact CA-O 3.29Å; V834-Q841 WeakPolarHBondContact CA-O 3.05Å; Y835-Q841 PolarHBondContact N-O 2.8Å; Y835-Q841 PolarHBondContact O-N 2.84Å
842C82Confident80.6Confident1 Ų165.9 Ų65.91%0.00734%0.337CS..EExtended strand (participates in β ladder)trans-81.9159.3170.6-70.90000110.9F846 F849 C852 Q866C842-F846 HydrophobicContact CB-CB 4.41Å; C842-F849 PolarHBondContact SG-N 3.15Å; C842-F849 VanDerWaalsContact SG-N 3.44Å; C842-C852 VanDerWaalsContact CA-SG 3.59Å; C842-C852 HydrophobicContact CB-CB 3.9Å; C842-C852 WeakPolarHBondContact CB-SG 3.41Å; C842-C852 VanDerWaalsContact SG-CA 3.58Å; C842-C852 WeakPolarHBondContact SG-CB 3.26Å; C842-C852 CovalentContact SG-SG 2.05Å; C842-C852 PolarHBondContact SG-SG 2.88Å; C842-Q866 PolarHBondContact O-NE2 3.11Å; C842-Q866 PolarHBondContact O-OE1 2.83Å
843Q79.3Confident80.7Confident102 Ų10263.1 Ų63.148%0.47732%0.319SS..PPolyproline II helixtrans-66.9147.8166.4-72.3-175.6-29.100111.7G833 F846G833-Q843 PolarHBondContact O-N 2.97Å; Q843-F846 PolarHBondContact O-N 2.9Å
844P73.2Confident81.1Confident103 Ų10368.9 Ų68.967%0.66934%0.338SS*.THydrogen-bonded Turntrans-54.4140.3179.1-27.435.5000113.7
845G71.5Confident81Confident24 Ų2469.5 Ų69.525%0.24734%0.342CS..THydrogen-bonded Turntrans88.1-0.4-172.900000114.7C855G845-C855 PolarHBondContact O-SG 3.25Å
846F82Confident81Confident88 Ų8869.4 Ų69.439%0.38635%0.347SS..EExtended strand (participates in β ladder)trans-126.8152.9176.4-63.5-101.2000113.3C842 Q843 C852 R853C842-F846 HydrophobicContact CB-CB 4.41Å; Q843-F846 PolarHBondContact O-N 2.9Å; F846-C852 HydrophobicContact CB-CB 3.96Å; F846-C852 WeakPolarHBondContact CD1-O 3.39Å; F846-R853 CarbonylContact C-O 3.55Å; F846-R853 WeakPolarHBondContact CA-O 3.32Å
847W83.5Confident81.2Confident73 Ų7369.8 Ų69.828%0.27735%0.349SS..EExtended strand (participates in β ladder)trans-138.8151.6-177.671.3-86.8000114C852 R853 Q854 D865 Q866W847-C852 CarbonylContact O-C 3.58Å; W847-C852 VanDerWaalsContact O-CA 3.3Å; W847-C852 WeakPolarHBondContact O-CA 3.38Å; W847-R853 PolarHBondContact N-O 2.8Å; W847-R853 PolarHBondContact O-N 3.42Å; W847-Q854 PolarHBondContact NE1-O 3.14Å; W847-D865 WeakPolarHBondContact CB-O 3.38Å; W847-Q866 CarbonylContact C-O 3.28Å; W847-Q866 WeakPolarHBondContact CA-O 3.4Å
848G81.1Confident80.8Confident21 Ų2169.5 Ų69.522%0.21635%0.353CS..SBendtrans92.157.3176.500000114.1E851 C852 Q866G848-E851 WeakPolarHBondContact O-CA 3.4Å; G848-E851 PolarHBondContact O-N 3.19Å; G848-C852 PolarHBondContact O-N 3.27Å; G848-Q866 PolarHBondContact N-O 2.85Å
849F76.2Confident80.2Confident69 Ų6969.6 Ų69.630%0.30337%0.37SS..THydrogen-bonded Turntrans-55.1134.6170.4176-88.7000110.8V834 C842V834-F849 HydrophobicContact CB-CE2 4.46Å; V834-F849 HydrophobicContact CG1-CD2 4.48Å; V834-F849 HydrophobicContact CG1-CE2 3.8Å; V834-F849 HydrophobicContact CG2-CD2 4.15Å; V834-F849 HydrophobicContact CG2-CE2 3.78Å; C842-F849 PolarHBondContact SG-N 3.15Å; C842-F849 VanDerWaalsContact SG-N 3.44Å
850P75.1Confident79.9Confident89 Ų8971 Ų7158%0.57838%0.377SS*.THydrogen-bonded Turncis-91.98.28.936.8-36.9000115.9
851E77.5Confident79.7Confident133 Ų13369.4 Ų69.462%0.62137%0.369SS*.THydrogen-bonded Turntrans-89.4-37-177.6-72-170.4-179.700115.3G848 R853G848-E851 WeakPolarHBondContact O-CA 3.4Å; G848-E851 PolarHBondContact O-N 3.19Å; E851-R853 IonicContact OE2-CZ 2.71Å; E851-R853 VanDerWaalsContact OE2-CZ 3.28Å; E851-R853 IonicContact OE2-NE 3.46Å; E851-R853 PolarHBondContact OE2-NE 2.89Å; E851-R853 VanDerWaalsContact OE2-NE 3.08Å; E851-R853 IonicContact OE2-NH2 3.29Å; E851-R853 PolarHBondContact OE2-NH2 3.08Å
852C80.6Confident79.3Confident24 Ų2471.5 Ų71.516%0.16238%0.383CS..  trans55.798.5176.9-53.80000116.2C842 F846 W847 G848C842-C852 VanDerWaalsContact CA-SG 3.59Å; C842-C852 HydrophobicContact CB-CB 3.9Å; C842-C852 WeakPolarHBondContact CB-SG 3.41Å; C842-C852 VanDerWaalsContact SG-CA 3.58Å; C842-C852 WeakPolarHBondContact SG-CB 3.26Å; C842-C852 CovalentContact SG-SG 2.05Å; C842-C852 PolarHBondContact SG-SG 2.88Å; F846-C852 HydrophobicContact CB-CB 3.96Å; F846-C852 WeakPolarHBondContact CD1-O 3.39Å; W847-C852 CarbonylContact O-C 3.58Å; W847-C852 VanDerWaalsContact O-CA 3.3Å; W847-C852 WeakPolarHBondContact O-CA 3.38Å; G848-C852 PolarHBondContact O-N 3.27Å
853R79.2Confident79Confident136 Ų13675 Ų7551%0.51340%0.401SS..EExtended strand (participates in β ladder)trans-120.2163.1-174.7-53.1175.6-177.5-179.60.1112.8F846 W847 E851F846-R853 CarbonylContact C-O 3.55Å; F846-R853 WeakPolarHBondContact CA-O 3.32Å; W847-R853 PolarHBondContact N-O 2.8Å; W847-R853 PolarHBondContact O-N 3.42Å; E851-R853 IonicContact OE2-CZ 2.71Å; E851-R853 VanDerWaalsContact OE2-CZ 3.28Å; E851-R853 IonicContact OE2-NE 3.46Å; E851-R853 PolarHBondContact OE2-NE 2.89Å; E851-R853 VanDerWaalsContact OE2-NE 3.08Å; E851-R853 IonicContact OE2-NH2 3.29Å; E851-R853 PolarHBondContact OE2-NH2 3.08Å
854Q80.9Confident79Confident152 Ų15270.3 Ų70.371%0.7138%0.379SS*.EExtended strand (participates in β ladder)trans-85158.4-171.8-160.1173.514.500116.1W847W847-Q854 PolarHBondContact NE1-O 3.14Å
855C79.4Confident79.2Confident30 Ų3068.2 Ų68.220%0.20336%0.363CS..  trans-82.8162.6-174.5-530000117.2G845 C864G845-C855 PolarHBondContact O-SG 3.25Å; C855-C864 VanDerWaalsContact CA-SG 3.52Å; C855-C864 HydrophobicContact CB-CB 3.58Å; C855-C864 WeakPolarHBondContact CB-SG 3.34Å; C855-C864 WeakPolarHBondContact SG-CB 3.21Å; C855-C864 PolarHBondContact SG-N 2.93Å; C855-C864 CovalentContact SG-SG 2.03Å; C855-C864 PolarHBondContact SG-SG 3.1Å
856Q83.1Confident79.4Confident147 Ų14769.8 Ų69.869%0.68736%0.364SS*.  trans-148.1108.8179.1-61.9-177.20.400114.1C871 H882Q856-C871 PolarHBondContact O-SG 3.44Å; Q856-H882 PolarHBondContact O-CD2 3.47Å; Q856-H882 VanDerWaalsContact O-CD2 3.31Å
857C85Confident78.9Confident14 Ų1474.1 Ų74.110%0.09538%0.382CS..  trans-135.931.5-160.8-60.10000119.2G859 H860 A861 C871 H882C857-G859 PolarHBondContact O-N 2.67Å; C857-H860 PolarHBondContact O-N 2.88Å; C857-A861 HydrophobicContact CB-CB 3.88Å; C857-A861 VanDerWaalsContact CB-O 3.26Å; C857-A861 WeakPolarHBondContact CB-O 3.33Å; C857-C871 WeakPolarHBondContact CA-SG 3.35Å; C857-C871 HydrophobicContact CB-CB 3.78Å; C857-C871 WeakPolarHBondContact CB-SG 3.36Å; C857-C871 WeakPolarHBondContact SG-CB 3.02Å; C857-C871 CovalentContact SG-SG 2.02Å; C857-C871 PolarHBondContact SG-SG 2.99Å; C857-H882 CarbonylContact C-O 3.58Å
858N78.4Confident78.6Confident68 Ų6874.4 Ų74.436%0.36439%0.392SS..THydrogen-bonded Turntrans46.322.1179.9-69-47.4000116.5H860 H882 I896N858-H860 VanDerWaalsContact C-N 3.31Å; N858-H860 PolarHBondContact O-CD2 2.73Å; N858-H860 PolarHBondContact O-N 2.74Å; N858-H882 VanDerWaalsContact CB-O 3.26Å; N858-H882 WeakPolarHBondContact CB-O 3.45Å; N858-H882 WeakPolarHBondContact ND2-CB 3.36Å; N858-H882 PolarHBondContact ND2-O 2.68Å; N858-I896 WeakPolarHBondContact O-CD1 3.43Å
859G77.4Confident78.5Confident62 Ų6274 Ų7464%0.63939%0.388SS*.THydrogen-bonded Turntrans84.6-12.3-176.500000115.8C857 R875C857-G859 PolarHBondContact O-N 2.67Å; G859-R875 PolarHBondContact O-NH2 2.75Å; G859-R875 VanDerWaalsContact O-NH2 3.12Å
860H81.7Confident78.6Confident30 Ų3071.5 Ų71.514%0.13938%0.38CS..THydrogen-bonded Turntrans-88.7-10.2-174.8-62.2-74.2000114.3C857 N858 R875 D876 C883C857-H860 PolarHBondContact O-N 2.88Å; N858-H860 VanDerWaalsContact C-N 3.31Å; N858-H860 PolarHBondContact O-CD2 2.73Å; N858-H860 PolarHBondContact O-N 2.74Å; H860-R875 VanDerWaalsContact O-CB 3.3Å; H860-R875 WeakPolarHBondContact O-CB 3.42Å; H860-R875 VanDerWaalsContact O-CG 3.25Å; H860-R875 WeakPolarHBondContact O-CG 3.35Å; H860-R875 PolarHBondContact O-N 3.16Å; H860-R875 PolarHBondContact O-NE 3.34Å; H860-D876 IonicContact CE1-OD2 3.42Å; H860-D876 PolarHBondContact CE1-OD2 3.47Å; H860-D876 IonicContact ND1-OD2 2.65Å; H860-D876 PolarHBondContact ND1-OD2 3Å; H860-C883 HydrophobicContact CB-CB 3.6Å
861A82.1Confident79Confident11 Ų1168.1 Ų68.19%0.09136%0.358CS..  trans-145.6153.4174.500000113.3C857 C871 I872C857-A861 HydrophobicContact CB-CB 3.88Å; C857-A861 VanDerWaalsContact CB-O 3.26Å; C857-A861 WeakPolarHBondContact CB-O 3.33Å; A861-C871 HydrophobicContact CB-CB 4.01Å; A861-I872 VanDerWaalsContact CB-O 3.23Å; A861-I872 WeakPolarHBondContact CB-O 3.32Å
862D75.8Confident79Confident124 Ų12465 Ų6566%0.66335%0.346SS*.SBendtrans-111.2-4.5-176.9-55-43000113R875D862-R875 IonicContact OD1-NH2 3.49Å; D862-R875 PolarHBondContact OD1-NH2 2.88Å; D862-R875 VanDerWaalsContact OD1-NH2 3.17Å; D862-R875 IonicContact OD2-CZ 2.7Å; D862-R875 IonicContact OD2-NH1 3.95Å; D862-R875 PolarHBondContact OD2-NH1 2.69Å; D862-R875 IonicContact OD2-NH2 2.56Å; D862-R875 PolarHBondContact OD2-NH2 2.77Å
863I75.6Confident78.8Confident74 Ų7471.4 Ų71.438%0.37937%0.373SS..EExtended strand (participates in β ladder)trans-133.6153.9-177.6-6.5173.5000110.1I872I863-I872 HydrophobicContact CB-CB 4.49Å; I863-I872 PolarHBondContact O-N 2.92Å
864C80.8Confident78.9Confident4 Ų466.2 Ų66.23%0.02736%0.357CS..EExtended strand (participates in β ladder)trans-139.3159.6175.468.90000112.9C855 Q866 G869 A870 I872C855-C864 VanDerWaalsContact CA-SG 3.52Å; C855-C864 HydrophobicContact CB-CB 3.58Å; C855-C864 WeakPolarHBondContact CB-SG 3.34Å; C855-C864 WeakPolarHBondContact SG-CB 3.21Å; C855-C864 PolarHBondContact SG-N 2.93Å; C855-C864 CovalentContact SG-SG 2.03Å; C855-C864 PolarHBondContact SG-SG 3.1Å; C864-Q866 PolarHBondContact O-N 2.7Å; C864-G869 WeakPolarHBondContact CB-O 3.49Å; C864-A870 CarbonylContact C-O 3.6Å; C864-A870 WeakPolarHBondContact CA-O 3.03Å; C864-A870 VanDerWaalsContact CB-O 3.26Å; C864-A870 WeakPolarHBondContact CB-O 3.32Å; C864-I872 VanDerWaalsContact C-CD1 3.46Å
865D77.4Confident78.9Confident59 Ų5964.4 Ų64.432%0.31634%0.344SS..  trans-59.4127.6177171.2-97.4000111.3W847 K867 T868 G869 A870W847-D865 WeakPolarHBondContact CB-O 3.38Å; D865-K867 PolarHBondContact O-N 2.72Å; D865-K867 WeakPolarHBondContact OD1-CA 3.2Å; D865-K867 PolarHBondContact OD1-N 2.82Å; D865-T868 WeakPolarHBondContact CB-OG1 3.37Å; D865-T868 PolarHBondContact O-N 3.01Å; D865-T868 WeakPolarHBondContact OD1-CB 3.46Å; D865-T868 WeakPolarHBondContact OD1-CG2 3.35Å; D865-T868 PolarHBondContact OD1-N 3.42Å; D865-T868 PolarHBondContact OD1-OG1 3.08Å; D865-G869 PolarHBondContact O-N 3.25Å; D865-A870 HydrophobicContact CB-CB 4.31Å; D865-A870 PolarHBondContact N-O 3.08Å
866Q74.5Confident78.8Confident58 Ų5868.5 Ų68.527%0.27136%0.364SS..THydrogen-bonded Turntrans-69.3-4-172.1-61.7-164.92.800114.6C842 W847 G848 C864C842-Q866 PolarHBondContact O-NE2 3.11Å; C842-Q866 PolarHBondContact O-OE1 2.83Å; W847-Q866 CarbonylContact C-O 3.28Å; W847-Q866 WeakPolarHBondContact CA-O 3.4Å; G848-Q866 PolarHBondContact N-O 2.85Å; C864-Q866 PolarHBondContact O-N 2.7Å
867K71.7Confident78.8Confident179 Ų17964.6 Ų64.678%0.77835%0.347SS*.THydrogen-bonded Turntrans-109.9-37.3175.7-76.8-178.7176.2174.30113.2D865D865-K867 PolarHBondContact O-N 2.72Å; D865-K867 WeakPolarHBondContact OD1-CA 3.2Å; D865-K867 PolarHBondContact OD1-N 2.82Å
868T77.6Confident78.6Confident78 Ų7864.1 Ų64.148%0.47934%0.344SS..THydrogen-bonded Turntrans-112.3-17-166.661.90000113.9D865 A870D865-T868 WeakPolarHBondContact CB-OG1 3.37Å; D865-T868 PolarHBondContact O-N 3.01Å; D865-T868 WeakPolarHBondContact OD1-CB 3.46Å; D865-T868 WeakPolarHBondContact OD1-CG2 3.35Å; D865-T868 PolarHBondContact OD1-N 3.42Å; D865-T868 PolarHBondContact OD1-OG1 3.08Å; T868-A870 PolarHBondContact O-N 3.29Å; T868-A870 VanDerWaalsContact OG1-CB 3.3Å; T868-A870 WeakPolarHBondContact OG1-CB 3.03Å; T868-A870 PolarHBondContact OG1-N 3.29Å
869G78.1Confident78.4Confident12 Ų1262.2 Ų62.212%0.12434%0.338CS..  trans73.74.6-171.500000114.2C864 D865C864-G869 WeakPolarHBondContact CB-O 3.49Å; D865-G869 PolarHBondContact O-N 3.25Å
870A79Confident78.3Confident18 Ų1860.6 Ų60.615%0.14932%0.321CS..PPolyproline II helixtrans-66.3137177.100000111.6C864 D865 T868 H881C864-A870 CarbonylContact C-O 3.6Å; C864-A870 WeakPolarHBondContact CA-O 3.03Å; C864-A870 VanDerWaalsContact CB-O 3.26Å; C864-A870 WeakPolarHBondContact CB-O 3.32Å; D865-A870 HydrophobicContact CB-CB 4.31Å; D865-A870 PolarHBondContact N-O 3.08Å; T868-A870 PolarHBondContact O-N 3.29Å; T868-A870 VanDerWaalsContact OG1-CB 3.3Å; T868-A870 WeakPolarHBondContact OG1-CB 3.03Å; T868-A870 PolarHBondContact OG1-N 3.29Å; A870-H881 WeakPolarHBondContact CA-O 3.29Å; A870-H881 VanDerWaalsContact CB-ND1 3.32Å; A870-H881 WeakPolarHBondContact CB-ND1 3.25Å
871C82.8Confident78.2Confident17 Ų1764.4 Ų64.412%0.11534%0.339CS..EExtended strand (participates in β ladder)trans-70.4134-173.6-62.20000113.2Q856 C857 A861 H881Q856-C871 PolarHBondContact O-SG 3.44Å; C857-C871 WeakPolarHBondContact CA-SG 3.35Å; C857-C871 HydrophobicContact CB-CB 3.78Å; C857-C871 WeakPolarHBondContact CB-SG 3.36Å; C857-C871 WeakPolarHBondContact SG-CB 3.02Å; C857-C871 CovalentContact SG-SG 2.02Å; C857-C871 PolarHBondContact SG-SG 2.99Å; A861-C871 HydrophobicContact CB-CB 4.01Å; C871-H881 PolarHBondContact N-O 3.27Å; C871-H881 PolarHBondContact SG-O 3.5Å; C871-H881 VanDerWaalsContact SG-O 3.38Å
872I77.3Confident78.3Confident69 Ų6967.8 Ų67.835%0.35435%0.352SS..EExtended strand (participates in β ladder)trans-97.1135.5177.8-63.9171.2000108.3A861 I863 C864A861-I872 VanDerWaalsContact CB-O 3.23Å; A861-I872 WeakPolarHBondContact CB-O 3.32Å; I863-I872 HydrophobicContact CB-CB 4.49Å; I863-I872 PolarHBondContact O-N 2.92Å; C864-I872 VanDerWaalsContact C-CD1 3.46Å
873E77.9Confident78.8Confident158 Ų15861.9 Ų61.974%0.73832%0.321SS*.SBendtrans56.558.4178.3-68.4174.5-167.700113.7R875E873-R875 PolarHBondContact O-N 3.1Å; E873-R875 VanDerWaalsContact O-N 3.12Å
874C79.9Confident79.2Confident27 Ų2760.9 Ų60.918%0.18232%0.315CS..  trans-54.3116.2165.3-67.30000110.8A878 C883C874-A878 HydrophobicContact CB-CB 4.31Å; C874-A878 WeakPolarHBondContact CB-O 3.12Å; C874-C883 VanDerWaalsContact CA-SG 3.51Å; C874-C883 HydrophobicContact CB-CB 3.69Å; C874-C883 WeakPolarHBondContact CB-SG 3.13Å; C874-C883 WeakPolarHBondContact SG-CA 3.38Å; C874-C883 WeakPolarHBondContact SG-CB 3.15Å; C874-C883 CovalentContact SG-SG 2.03Å; C874-C883 PolarHBondContact SG-SG 3.27Å
875R82.5Confident79.2Confident113 Ų11365.5 Ų65.543%0.42634%0.339SS..SBendtrans-69.2172.3174.6-66.4179.7-73.6-134.8-3.5111.4G859 H860 D862 E873 L877 A878G859-R875 PolarHBondContact O-NH2 2.75Å; G859-R875 VanDerWaalsContact O-NH2 3.12Å; H860-R875 VanDerWaalsContact O-CB 3.3Å; H860-R875 WeakPolarHBondContact O-CB 3.42Å; H860-R875 VanDerWaalsContact O-CG 3.25Å; H860-R875 WeakPolarHBondContact O-CG 3.35Å; H860-R875 PolarHBondContact O-N 3.16Å; H860-R875 PolarHBondContact O-NE 3.34Å; D862-R875 IonicContact OD1-NH2 3.49Å; D862-R875 PolarHBondContact OD1-NH2 2.88Å; D862-R875 VanDerWaalsContact OD1-NH2 3.17Å; D862-R875 IonicContact OD2-CZ 2.7Å; D862-R875 IonicContact OD2-NH1 3.95Å; D862-R875 PolarHBondContact OD2-NH1 2.69Å; D862-R875 IonicContact OD2-NH2 2.56Å; D862-R875 PolarHBondContact OD2-NH2 2.77Å; E873-R875 PolarHBondContact O-N 3.1Å; E873-R875 VanDerWaalsContact O-N 3.12Å; R875-L877 VanDerWaalsContact C-N 3.33Å; R875-L877 PolarHBondContact O-N 2.75Å; R875-A878 WeakPolarHBondContact O-CB 3.45Å; R875-A878 PolarHBondContact O-N 2.76Å
876D77.2Confident79.4Confident117 Ų11763.6 Ų63.663%0.62633%0.33SS*.THydrogen-bonded Turntrans62.629.1169.4-46.1-57.3000116.1H860 A878H860-D876 IonicContact CE1-OD2 3.42Å; H860-D876 PolarHBondContact CE1-OD2 3.47Å; H860-D876 IonicContact ND1-OD2 2.65Å; H860-D876 PolarHBondContact ND1-OD2 3Å; D876-A878 PolarHBondContact O-N 3.36Å
877L82.5Confident79.7Confident65 Ų6565.4 Ų65.434%0.3434%0.338SS..THydrogen-bonded Turntrans61.121.5-175.8-57.4167.4000113.5R875 Q887 Y890 C902R875-L877 VanDerWaalsContact C-N 3.33Å; R875-L877 PolarHBondContact O-N 2.75Å; L877-Q887 PolarHBondContact O-N 3.08Å; L877-Y890 HydrophobicContact CD1-CD1 3.92Å; L877-Y890 HydrophobicContact CD1-CE1 3.69Å; L877-Y890 HydrophobicContact CD2-CE1 4.11Å; L877-Y890 HydrophobicContact CD2-CE2 4.32Å; L877-Y890 HydrophobicContact CG-CE1 4.48Å; L877-C902 HydrophobicContact CB-CB 3.86Å; L877-C902 PolarHBondContact O-SG 3.36Å
878A80.1Confident79.8Confident4 Ų462.8 Ų62.83%0.03333%0.333CS..EExtended strand (participates in β ladder)trans-83.8159.6172.100000112.1C874 R875 D876 C883 L885 P894C874-A878 HydrophobicContact CB-CB 4.31Å; C874-A878 WeakPolarHBondContact CB-O 3.12Å; R875-A878 WeakPolarHBondContact O-CB 3.45Å; R875-A878 PolarHBondContact O-N 2.76Å; D876-A878 PolarHBondContact O-N 3.36Å; A878-C883 HydrophobicContact CB-CB 4.12Å; A878-L885 CarbonylContact C-O 3.49Å; A878-L885 VanDerWaalsContact CA-O 3.22Å; A878-L885 WeakPolarHBondContact CA-O 3.45Å; A878-P894 HydrophobicContact CB-CB 4Å; A878-P894 HydrophobicContact CB-CG 3.92Å
879A74.1Confident79.5Confident27 Ų2759.2 Ų59.222%0.22331%0.312CS..EExtended strand (participates in β ladder)trans-153.4-174.7179.100000109.4C883 E884 L885 Q887A879-C883 CarbonylContact O-C 3.15Å; A879-C883 VanDerWaalsContact O-C 3.22Å; A879-C883 VanDerWaalsContact O-CA 3.24Å; A879-C883 WeakPolarHBondContact O-CA 3.28Å; A879-E884 PolarHBondContact O-N 2.91Å; A879-L885 PolarHBondContact N-O 2.84Å; A879-L885 PolarHBondContact O-N 2.7Å; A879-Q887 HydrophobicContact CB-CB 4.33Å
880G75.4Confident79.8Confident28 Ų2861.7 Ų61.729%0.28932%0.318SS..SBendtrans90.7167.1-171.200000112.5H882 C883 E884G880-H882 PolarHBondContact O-N 2.66Å; G880-H882 VanDerWaalsContact O-N 3.14Å; G880-C883 PolarHBondContact O-N 2.87Å; G880-C883 VanDerWaalsContact O-N 3.15Å; G880-E884 VanDerWaalsContact C-OE2 3.32Å
881H80.8Confident80Confident110 Ų11063.3 Ų63.351%0.50932%0.32SS..THydrogen-bonded Turntrans-63.1-27.1-167-97-90.9000113.9A870 C871 E884A870-H881 WeakPolarHBondContact CA-O 3.29Å; A870-H881 VanDerWaalsContact CB-ND1 3.32Å; A870-H881 WeakPolarHBondContact CB-ND1 3.25Å; C871-H881 PolarHBondContact N-O 3.27Å; C871-H881 PolarHBondContact SG-O 3.5Å; C871-H881 VanDerWaalsContact SG-O 3.38Å; H881-E884 PolarHBondContact N-OE1 3.47Å; H881-E884 VanDerWaalsContact N-OE1 3.14Å; H881-E884 PolarHBondContact N-OE2 2.83Å
882H84.2Confident79.9Confident82 Ų8264.3 Ų64.338%0.3833%0.333SS..THydrogen-bonded Turntrans-12418.1-179.9-49.178.8000111Q856 C857 N858 G880 E884Q856-H882 PolarHBondContact O-CD2 3.47Å; Q856-H882 VanDerWaalsContact O-CD2 3.31Å; C857-H882 CarbonylContact C-O 3.58Å; N858-H882 VanDerWaalsContact CB-O 3.26Å; N858-H882 WeakPolarHBondContact CB-O 3.45Å; N858-H882 WeakPolarHBondContact ND2-CB 3.36Å; N858-H882 PolarHBondContact ND2-O 2.68Å; G880-H882 PolarHBondContact O-N 2.66Å; G880-H882 VanDerWaalsContact O-N 3.14Å; H882-E884 VanDerWaalsContact CA-OE2 3.26Å; H882-E884 WeakPolarHBondContact CA-OE2 3.36Å; H882-E884 WeakPolarHBondContact CB-OE2 3.05Å; H882-E884 PolarHBondContact N-OE2 2.56Å
883C85.5Confident80.1Confident0 Ų062.4 Ų62.40%032%0.324CS..SBendtrans63.644.3-173-44.60000114.7H860 C874 A878 A879 G880H860-C883 HydrophobicContact CB-CB 3.6Å; C874-C883 VanDerWaalsContact CA-SG 3.51Å; C874-C883 HydrophobicContact CB-CB 3.69Å; C874-C883 WeakPolarHBondContact CB-SG 3.13Å; C874-C883 WeakPolarHBondContact SG-CA 3.38Å; C874-C883 WeakPolarHBondContact SG-CB 3.15Å; C874-C883 CovalentContact SG-SG 2.03Å; C874-C883 PolarHBondContact SG-SG 3.27Å; A878-C883 HydrophobicContact CB-CB 4.12Å; A879-C883 CarbonylContact O-C 3.15Å; A879-C883 VanDerWaalsContact O-C 3.22Å; A879-C883 VanDerWaalsContact O-CA 3.24Å; A879-C883 WeakPolarHBondContact O-CA 3.28Å; G880-C883 PolarHBondContact O-N 2.87Å; G880-C883 VanDerWaalsContact O-N 3.15Å
884E83Confident79.9Confident53 Ų5355.6 Ų55.625%0.24829%0.293CS..  trans-101.8-5.2-175.372.8-77-173.900116.4A879 G880 H881 H882 R895A879-E884 PolarHBondContact O-N 2.91Å; G880-E884 VanDerWaalsContact C-OE2 3.32Å; H881-E884 PolarHBondContact N-OE1 3.47Å; H881-E884 VanDerWaalsContact N-OE1 3.14Å; H881-E884 PolarHBondContact N-OE2 2.83Å; H882-E884 VanDerWaalsContact CA-OE2 3.26Å; H882-E884 WeakPolarHBondContact CA-OE2 3.36Å; H882-E884 WeakPolarHBondContact CB-OE2 3.05Å; H882-E884 PolarHBondContact N-OE2 2.56Å; E884-R895 HydrophobicContact CB-CG 4.17Å; E884-R895 WeakPolarHBondContact O-CG 3.25Å
885L81.8Confident80Confident102 Ų10260.3 Ų60.353%0.53431%0.307SS..EExtended strand (participates in β ladder)trans-119.7165.3-179.1-56.5176.1000110.5A878 A879 P894A878-L885 CarbonylContact C-O 3.49Å; A878-L885 VanDerWaalsContact CA-O 3.22Å; A878-L885 WeakPolarHBondContact CA-O 3.45Å; A879-L885 PolarHBondContact N-O 2.84Å; A879-L885 PolarHBondContact O-N 2.7Å; L885-P894 WeakPolarHBondContact O-CG 3.45Å
886C82.6Confident79.6Confident19 Ų1961.3 Ų61.313%0.12832%0.32CS..EExtended strand (participates in β ladder)trans-78.8153.7163.4-70.60000111.2G892 C902C886-G892 WeakPolarHBondContact SG-CA 3.34Å; C886-G892 PolarHBondContact SG-N 3.17Å; C886-G892 VanDerWaalsContact SG-N 3.37Å; C886-C902 VanDerWaalsContact CA-SG 3.5Å; C886-C902 HydrophobicContact CB-CB 3.79Å; C886-C902 WeakPolarHBondContact CB-SG 3.21Å; C886-C902 VanDerWaalsContact SG-CA 3.57Å; C886-C902 WeakPolarHBondContact SG-CB 3.01Å; C886-C902 CovalentContact SG-SG 2.04Å; C886-C902 PolarHBondContact SG-SG 3.08Å
887Q79.5Confident79.1Confident96 Ų9659.4 Ų59.445%0.44933%0.328SS..PPolyproline II helixtrans-63.7145.9173.4-170.3172.412.300111.9L877 A879 G889 Y890L877-Q887 PolarHBondContact O-N 3.08Å; A879-Q887 HydrophobicContact CB-CB 4.33Å; Q887-G889 PolarHBondContact O-N 3Å; Q887-Y890 HydrophobicContact CB-CD2 4.39Å; Q887-Y890 WeakPolarHBondContact O-CB 3.35Å; Q887-Y890 PolarHBondContact O-N 3.43Å
888D73.8Confident78.6Confident123 Ų12359.6 Ų59.666%0.65833%0.331SS*.THydrogen-bonded Turntrans-52.8138.5176.2-68.3-27.1000111.3T920D888-T920 HydrophobicContact CB-CG2 4.35Å; D888-T920 VanDerWaalsContact OD1-CG2 3.31Å; D888-T920 WeakPolarHBondContact OD1-CG2 3.2Å
889G72.5Confident78Confident4 Ų465.7 Ų65.74%0.04136%0.363CS..THydrogen-bonded Turntrans82.32.3-167.500000115.6Q887 P904 C905 P911 D919Q887-G889 PolarHBondContact O-N 3Å; G889-P904 WeakPolarHBondContact O-CA 3.09Å; G889-C905 WeakPolarHBondContact O-CB 3.46Å; G889-C905 PolarHBondContact O-N 3.43Å; G889-C905 PolarHBondContact O-SG 2.95Å; G889-P911 WeakPolarHBondContact O-CG 3.46Å; G889-D919 PolarHBondContact N-O 2.93Å; G889-D919 VanDerWaalsContact N-O 3.16Å
890Y82.6Confident78.1Confident64 Ų6468.7 Ų68.725%0.25138%0.375SS..EExtended strand (participates in β ladder)trans-130.8151.4175-61.4-107.1000113.4L877 Q887 R903 P904L877-Y890 HydrophobicContact CD1-CD1 3.92Å; L877-Y890 HydrophobicContact CD1-CE1 3.69Å; L877-Y890 HydrophobicContact CD2-CE1 4.11Å; L877-Y890 HydrophobicContact CD2-CE2 4.32Å; L877-Y890 HydrophobicContact CG-CE1 4.48Å; Q887-Y890 HydrophobicContact CB-CD2 4.39Å; Q887-Y890 WeakPolarHBondContact O-CB 3.35Å; Q887-Y890 PolarHBondContact O-N 3.43Å; Y890-R903 CarbonylContact C-O 3.31Å; Y890-R903 WeakPolarHBondContact CA-O 3.37Å; Y890-R903 WeakPolarHBondContact CB-O 3.47Å; Y890-R903 VanDerWaalsContact CD1-C 3.47Å; Y890-P904 HydrophobicContact CD1-CG 4.18Å; Y890-P904 HydrophobicContact CE1-CB 4.39Å; Y890-P904 HydrophobicContact CE1-CG 3.8Å
891Y83.7Confident78.2Confident52 Ų5271.4 Ų71.420%0.20439%0.388CS..EExtended strand (participates in β ladder)trans-120.5139.2176.676-85.7000112.3C902 R903 L923 V930Y891-C902 CarbonylContact O-C 3.12Å; Y891-C902 WeakPolarHBondContact O-CA 3.44Å; Y891-R903 HydrophobicContact CD1-CB 4.08Å; Y891-R903 WeakPolarHBondContact CD1-O 3.42Å; Y891-R903 HydrophobicContact CE1-CB 3.6Å; Y891-R903 PolarHBondContact N-O 2.88Å; Y891-R903 PolarHBondContact O-N 3.22Å; Y891-L923 HydrophobicContact CD2-CB 3.92Å; Y891-L923 HydrophobicContact CD2-CD2 4.44Å; Y891-L923 HydrophobicContact CE2-CB 4.48Å; Y891-L923 HydrophobicContact CE2-CD1 4.33Å; Y891-L923 HydrophobicContact CE2-CD2 4.41Å; Y891-V930 HydrophobicContact CD1-CG1 4.27Å; Y891-V930 HydrophobicContact CD1-CG2 4.2Å; Y891-V930 HydrophobicContact CD2-CG2 4.3Å; Y891-V930 HydrophobicContact CE1-CG2 3.97Å; Y891-V930 HydrophobicContact CE2-CG2 4.05Å; Y891-V930 HydrophobicContact CG-CG2 4.37Å
892G80.8Confident78.4Confident37 Ų3766.9 Ų66.938%0.38137%0.368SS..EExtended strand (participates in β ladder)trans161.7-162.3-176.700000113.2C886C886-G892 WeakPolarHBondContact SG-CA 3.34Å; C886-G892 PolarHBondContact SG-N 3.17Å; C886-G892 VanDerWaalsContact SG-N 3.37Å
893D81.8Confident78.3Confident29 Ų2969.9 Ų69.916%0.15538%0.376CS..EExtended strand (participates in β ladder)trans-151.799.3175.9-172.1-22.4000111R895 V898 N899 I900D893-R895 PolarHBondContact O-N 3.16Å; D893-R895 WeakPolarHBondContact OD1-CG 3.47Å; D893-R895 IonicContact OD1-CZ 2.86Å; D893-R895 PolarHBondContact OD1-N 3.06Å; D893-R895 IonicContact OD1-NE 3.5Å; D893-R895 PolarHBondContact OD1-NE 3.36Å; D893-R895 IonicContact OD1-NH2 2.7Å; D893-R895 IonicContact OD2-CZ 3.67Å; D893-R895 IonicContact OD2-NE 3.46Å; D893-R895 PolarHBondContact OD2-NE 3.36Å; D893-R895 IonicContact OD2-NH2 3.62Å; D893-R895 PolarHBondContact OD2-NH2 2.84Å; D893-V898 HydrophobicContact CB-CB 4.31Å; D893-V898 HydrophobicContact CB-CG1 3.93Å; D893-V898 WeakPolarHBondContact OD2-CG1 3.33Å; D893-N899 PolarHBondContact O-N 3.16Å; D893-I900 CarbonylContact C-O 3.37Å; D893-I900 HydrophobicContact CB-CB 4.16Å; D893-I900 PolarHBondContact N-O 2.87Å; D893-I900 PolarHBondContact O-N 3.17Å
894P74.1Confident78.1Confident16 Ų1673.6 Ų73.610%0.10440%0.4CS..  trans-88.45.7-170.832.6-31.9000114.8A878 L885A878-P894 HydrophobicContact CB-CB 4Å; A878-P894 HydrophobicContact CB-CG 3.92Å; L885-P894 WeakPolarHBondContact O-CG 3.45Å
895R81.9Confident78Confident126 Ų12671.2 Ų71.248%0.47539%0.389SS..SBendtrans-64.9141.1-178-62.2174.5-66.1176.2-1.1110.7E884 D893 G897 V898 N899E884-R895 HydrophobicContact CB-CG 4.17Å; E884-R895 WeakPolarHBondContact O-CG 3.25Å; D893-R895 PolarHBondContact O-N 3.16Å; D893-R895 WeakPolarHBondContact OD1-CG 3.47Å; D893-R895 IonicContact OD1-CZ 2.86Å; D893-R895 PolarHBondContact OD1-N 3.06Å; D893-R895 IonicContact OD1-NE 3.5Å; D893-R895 PolarHBondContact OD1-NE 3.36Å; D893-R895 IonicContact OD1-NH2 2.7Å; D893-R895 IonicContact OD2-CZ 3.67Å; D893-R895 IonicContact OD2-NE 3.46Å; D893-R895 PolarHBondContact OD2-NE 3.36Å; D893-R895 IonicContact OD2-NH2 3.62Å; D893-R895 PolarHBondContact OD2-NH2 2.84Å; R895-G897 PolarHBondContact O-N 3.03Å; R895-V898 PolarHBondContact O-N 2.76Å; R895-N899 PolarHBondContact O-N 3.49Å
896I73.2Confident77.9Confident133 Ų13368.5 Ų68.568%0.68238%0.378SS*.THydrogen-bonded Turntrans-47.6-24.5-178.5-64.8176.5000114N858N858-I896 WeakPolarHBondContact O-CD1 3.43Å
897G68.2Low77.6Confident78 Ų7867.6 Ų67.680%0.80437%0.371SS*.THydrogen-bonded Turntrans-97.1-9.2178.600000117.7R895R895-G897 PolarHBondContact O-N 3.03Å
898V71.1Confident77.1Confident68 Ų6864.2 Ų64.241%0.41236%0.358SS..THydrogen-bonded Turntrans-119.2-45-174.7-174.10000112.5D893 R895 I900D893-V898 HydrophobicContact CB-CB 4.31Å; D893-V898 HydrophobicContact CB-CG1 3.93Å; D893-V898 WeakPolarHBondContact OD2-CG1 3.33Å; R895-V898 PolarHBondContact O-N 2.76Å; V898-I900 HydrophobicContact CG1-CD1 4.01Å; V898-I900 HydrophobicContact CG1-CG1 4.14Å; V898-I900 PolarHBondContact O-N 3.36Å
899N66.9Low76.7Confident132 Ų13260.9 Ų60.971%0.70635%0.353SS*.  trans55.549167.7-159.615.1000115.4D893 R895D893-N899 PolarHBondContact O-N 3.16Å; R895-N899 PolarHBondContact O-N 3.49Å
900I76Confident76.6Confident90 Ų9061 Ų6146%0.46235%0.354SS..EExtended strand (participates in β ladder)trans-96.6113.2169.4-63.3170.7000108.2D893 V898D893-I900 CarbonylContact C-O 3.37Å; D893-I900 HydrophobicContact CB-CB 4.16Å; D893-I900 PolarHBondContact N-O 2.87Å; D893-I900 PolarHBondContact O-N 3.17Å; V898-I900 HydrophobicContact CG1-CD1 4.01Å; V898-I900 HydrophobicContact CG1-CG1 4.14Å; V898-I900 PolarHBondContact O-N 3.36Å
901P79.3Confident75.8Confident86 Ų8660.8 Ų60.856%0.55836%0.36SS*.EExtended strand (participates in β ladder)trans-62.7137.9-174.9-23.433.4000113.4
902C83.6Confident74.9Confident14 Ų1462.4 Ų62.410%0.09539%0.393CS..EExtended strand (participates in β ladder)trans-66.2129.7176.8-56.60000111.8L877 C886 Y891L877-C902 HydrophobicContact CB-CB 3.86Å; L877-C902 PolarHBondContact O-SG 3.36Å; C886-C902 VanDerWaalsContact CA-SG 3.5Å; C886-C902 HydrophobicContact CB-CB 3.79Å; C886-C902 WeakPolarHBondContact CB-SG 3.21Å; C886-C902 VanDerWaalsContact SG-CA 3.57Å; C886-C902 WeakPolarHBondContact SG-CB 3.01Å; C886-C902 CovalentContact SG-SG 2.04Å; C886-C902 PolarHBondContact SG-SG 3.08Å; Y891-C902 CarbonylContact O-C 3.12Å; Y891-C902 WeakPolarHBondContact O-CA 3.44Å
903R82.2Confident74.3Confident146 Ų14662 Ų6255%0.55139%0.385SS*.EExtended strand (participates in β ladder)trans-128.7149.2-177-66.5180-175.8-174.92.7112.4Y890 Y891Y890-R903 CarbonylContact C-O 3.31Å; Y890-R903 WeakPolarHBondContact CA-O 3.37Å; Y890-R903 WeakPolarHBondContact CB-O 3.47Å; Y890-R903 VanDerWaalsContact CD1-C 3.47Å; Y891-R903 HydrophobicContact CD1-CB 4.08Å; Y891-R903 WeakPolarHBondContact CD1-O 3.42Å; Y891-R903 HydrophobicContact CE1-CB 3.6Å; Y891-R903 PolarHBondContact N-O 2.88Å; Y891-R903 PolarHBondContact O-N 3.22Å
904P81.9Confident73.5Confident77 Ų7763.4 Ų63.450%0.541%0.406SS..EExtended strand (participates in β ladder)trans-62.6146.4-174.6-21.632000114.9G889 Y890G889-P904 WeakPolarHBondContact O-CA 3.09Å; Y890-P904 HydrophobicContact CD1-CG 4.18Å; Y890-P904 HydrophobicContact CE1-CB 4.39Å; Y890-P904 HydrophobicContact CE1-CG 3.8Å
905C81.6Confident73.5Confident3 Ų365 Ų652%0.0241%0.411CS..  trans-70.8134.5176.1-700000113.3G889 C907 C921G889-C905 WeakPolarHBondContact O-CB 3.46Å; G889-C905 PolarHBondContact O-N 3.43Å; G889-C905 PolarHBondContact O-SG 2.95Å; C905-C907 PolarHBondContact O-N 2.98Å; C905-C921 WeakPolarHBondContact CA-SG 3.48Å; C905-C921 HydrophobicContact CB-CB 3.75Å; C905-C921 WeakPolarHBondContact CB-SG 3.46Å; C905-C921 WeakPolarHBondContact SG-CB 3.17Å; C905-C921 PolarHBondContact SG-N 2.79Å; C905-C921 VanDerWaalsContact SG-N 3.43Å; C905-C921 CovalentContact SG-SG 2.02Å; C905-C921 PolarHBondContact SG-SG 2.84Å
906P78.3Confident73.3Confident45 Ų4560.3 Ų60.329%0.29240%0.395SS..  trans-86.824.8-179.736.6-36.2000114.3V930 R942P906-V930 VanDerWaalsContact CD-CG1 3.46Å; P906-V930 HydrophobicContact CG-CB 3.85Å; P906-V930 HydrophobicContact CG-CG1 3.89Å; P906-R942 WeakPolarHBondContact O-CD 3.47Å; P906-R942 PolarHBondContact O-NH1 2.81Å
907C77Confident73.8Confident0 Ų054.5 Ų54.50%037%0.365CS..SBendtrans-70.9135.1166.7-34.80000106.9C905 G909 G910 Q916 A918 C932C905-C907 PolarHBondContact O-N 2.98Å; C907-G909 PolarHBondContact O-N 2.8Å; C907-G910 WeakPolarHBondContact O-CA 3.15Å; C907-G910 PolarHBondContact O-N 3.18Å; C907-Q916 HydrophobicContact CB-CG 4.38Å; C907-A918 HydrophobicContact CB-CB 3.95Å; C907-C932 WeakPolarHBondContact CA-SG 3.36Å; C907-C932 HydrophobicContact CB-CB 3.98Å; C907-C932 WeakPolarHBondContact CB-SG 3.35Å; C907-C932 PolarHBondContact N-SG 2.81Å; C907-C932 WeakPolarHBondContact SG-CB 3.24Å; C907-C932 CovalentContact SG-SG 2.03Å; C907-C932 PolarHBondContact SG-SG 3.06Å
908P69.5Low74.3Confident25 Ų2550.8 Ų50.816%0.16233%0.326CS..THydrogen-bonded Turntrans-52129.7-14923.4-34.9000112.4G910 F915 Q916 R942P908-G910 PolarHBondContact O-N 2.85Å; P908-F915 VanDerWaalsContact C-CE2 3.48Å; P908-F915 HydrophobicContact CB-CD2 3.98Å; P908-F915 HydrophobicContact CB-CE2 4.12Å; P908-F915 CarbonylContact O-C 3.32Å; P908-F915 WeakPolarHBondContact O-CD2 3.45Å; P908-F915 VanDerWaalsContact O-O 3.13Å; P908-Q916 PolarHBondContact O-N 3.45Å; P908-R942 WeakPolarHBondContact CD-O 3.11Å
909G64.5Low74.6Confident53 Ų5351.3 Ų51.355%0.54633%0.327SS..THydrogen-bonded Turntrans83.3-34.4-175.300000115C907 S913 F915C907-G909 PolarHBondContact O-N 2.8Å; G909-S913 VanDerWaalsContact C-OG 3.3Å; G909-S913 VanDerWaalsContact CA-CB 3.4Å; G909-S913 WeakPolarHBondContact CA-OG 3.27Å; G909-S913 WeakPolarHBondContact O-CB 3.26Å; G909-F915 VanDerWaalsContact CA-CE2 3.41Å; G909-F915 VanDerWaalsContact N-CE2 3.32Å
910G69.6Low75.1Confident8 Ų847.1 Ų47.18%0.08231%0.306CS..  trans74-176.7-176.900000113.9C907 P908 G912 S913 Q916C907-G910 WeakPolarHBondContact O-CA 3.15Å; C907-G910 PolarHBondContact O-N 3.18Å; P908-G910 PolarHBondContact O-N 2.85Å; G910-G912 PolarHBondContact O-N 3.48Å; G910-S913 VanDerWaalsContact O-CB 3.22Å; G910-S913 WeakPolarHBondContact O-CB 3.39Å; G910-S913 PolarHBondContact O-N 3.14Å; G910-S913 VanDerWaalsContact O-N 3.11Å; G910-S913 PolarHBondContact O-OG 3.36Å; G910-Q916 PolarHBondContact O-OE1 2.93Å
911P65.7Low75.4Confident58 Ų5843.4 Ų43.438%0.37729%0.288SS..THydrogen-bonded Turntrans-62.5125.3-168.7-26.735.5000112.2G889 Q916G889-P911 WeakPolarHBondContact O-CG 3.46Å; P911-Q916 VanDerWaalsContact CA-OE1 3.24Å; P911-Q916 VanDerWaalsContact CD-OE1 3.3Å
912G65.4Low75.4Confident86 Ų8644.7 Ų44.789%0.88728%0.283SS*.THydrogen-bonded Turntrans87.62.2-178.200000116G910G910-G912 PolarHBondContact O-N 3.48Å
913S68Low75Confident30 Ų3047 Ų4721%0.2129%0.293CS..SBendtrans-74.7-18.5-179.258.80000116.4G909 G910 F915G909-S913 VanDerWaalsContact C-OG 3.3Å; G909-S913 VanDerWaalsContact CA-CB 3.4Å; G909-S913 WeakPolarHBondContact CA-OG 3.27Å; G909-S913 WeakPolarHBondContact O-CB 3.26Å; G910-S913 VanDerWaalsContact O-CB 3.22Å; G910-S913 WeakPolarHBondContact O-CB 3.39Å; G910-S913 PolarHBondContact O-N 3.14Å; G910-S913 VanDerWaalsContact O-N 3.11Å; G910-S913 PolarHBondContact O-OG 3.36Å; S913-F915 VanDerWaalsContact C-N 3.33Å; S913-F915 WeakPolarHBondContact O-CD1 3.46Å; S913-F915 WeakPolarHBondContact O-CE1 3.29Å; S913-F915 PolarHBondContact OG-N 2.58Å
914G66.1Low74.7Confident58 Ų5841.5 Ų41.560%0.59828%0.275SS*.SBendtrans81.32.4-174.500000115.5
915F74.5Confident74Confident48 Ų4846.4 Ų46.421%0.21129%0.291CS..  trans-142.725.9176.456.7-84.6000113.5P908 G909 S913 H917 V957P908-F915 VanDerWaalsContact C-CE2 3.48Å; P908-F915 HydrophobicContact CB-CD2 3.98Å; P908-F915 HydrophobicContact CB-CE2 4.12Å; P908-F915 CarbonylContact O-C 3.32Å; P908-F915 WeakPolarHBondContact O-CD2 3.45Å; P908-F915 VanDerWaalsContact O-O 3.13Å; G909-F915 VanDerWaalsContact CA-CE2 3.41Å; G909-F915 VanDerWaalsContact N-CE2 3.32Å; S913-F915 VanDerWaalsContact C-N 3.33Å; S913-F915 WeakPolarHBondContact O-CD1 3.46Å; S913-F915 WeakPolarHBondContact O-CE1 3.29Å; S913-F915 PolarHBondContact OG-N 2.58Å; F915-H917 PolarHBondContact O-CD2 2.75Å; F915-H917 PolarHBondContact O-NE2 3.01Å; F915-V957 HydrophobicContact CD1-CG2 3.97Å; F915-V957 HydrophobicContact CE1-CG2 4Å
916Q76Confident73.5Confident29 Ų2952.4 Ų52.414%0.13633%0.328CS..  trans-80.7114.6169.4171.1172.7-34.800110.7C907 P908 G910 P911 A918C907-Q916 HydrophobicContact CB-CG 4.38Å; P908-Q916 PolarHBondContact O-N 3.45Å; G910-Q916 PolarHBondContact O-OE1 2.93Å; P911-Q916 VanDerWaalsContact CA-OE1 3.24Å; P911-Q916 VanDerWaalsContact CD-OE1 3.3Å; Q916-A918 VanDerWaalsContact CG-O 3.23Å; Q916-A918 WeakPolarHBondContact CG-O 3.11Å; Q916-A918 PolarHBondContact NE2-O 3.09Å
917H83.8Confident73.1Confident10 Ų1054.1 Ų54.15%0.04634%0.338CS..  trans-104.923.9-176.6-53.2-58.2000114.6F915 R935 Y938 C943 P954 G959F915-H917 PolarHBondContact O-CD2 2.75Å; F915-H917 PolarHBondContact O-NE2 3.01Å; H917-R935 PolarHBondContact O-N 2.93Å; H917-Y938 HydrophobicContact CB-CD1 3.58Å; H917-Y938 HydrophobicContact CB-CD2 4.17Å; H917-Y938 HydrophobicContact CB-CE1 4Å; H917-Y938 HydrophobicContact CB-CG 3.69Å; H917-Y938 AromaticContact CD2-CD1 3.88Å; H917-Y938 AromaticContact CD2-CE1 3.93Å; H917-Y938 AromaticContact CE1-CE1 3.67Å; H917-Y938 AromaticContact CG-CD1 3.46Å; H917-Y938 VanDerWaalsContact CG-CD1 3.46Å; H917-Y938 AromaticContact CG-CE1 3.47Å; H917-Y938 VanDerWaalsContact CG-CE1 3.47Å; H917-Y938 AromaticContact ND1-CD1 3.84Å; H917-Y938 AromaticContact ND1-CE1 3.31Å; H917-Y938 VanDerWaalsContact ND1-CE1 3.31Å; H917-Y938 WeakPolarHBondContact ND1-CE1 3.49Å; H917-Y938 AromaticContact ND1-CZ 3.62Å; H917-C943 HydrophobicContact CB-CB 3.94Å; H917-P954 PolarHBondContact CD2-O 3.05Å; H917-P954 WeakPolarHBondContact NE2-CB 3.28Å; H917-P954 PolarHBondContact NE2-O 2.04Å; H917-G959 PolarHBondContact CE1-O 3.2Å
918A80.5Confident72.8Confident0 Ų062.1 Ų62.10%038%0.375CS..EExtended strand (participates in β ladder)trans-140.5136.9175.100000109.6C907 Q916 C932 N933C907-A918 HydrophobicContact CB-CB 3.95Å; Q916-A918 VanDerWaalsContact CG-O 3.23Å; Q916-A918 WeakPolarHBondContact CG-O 3.11Å; Q916-A918 PolarHBondContact NE2-O 3.09Å; A918-C932 HydrophobicContact CB-CB 3.92Å; A918-N933 VanDerWaalsContact CA-O 3.31Å; A918-N933 WeakPolarHBondContact CA-O 3.26Å; A918-N933 WeakPolarHBondContact CB-O 3.46Å
919D76.1Confident73Confident79 Ų7964.5 Ų64.542%0.42239%0.389SS..EExtended strand (participates in β ladder)trans-86.6-28.2-179.6-61.3-59.1000112.3G889 R935G889-D919 PolarHBondContact N-O 2.93Å; G889-D919 VanDerWaalsContact N-O 3.16Å; D919-R935 IonicContact OD1-CZ 3.64Å; D919-R935 VanDerWaalsContact OD1-CZ 3.23Å; D919-R935 IonicContact OD1-NE 2.73Å; D919-R935 PolarHBondContact OD1-NE 3.2Å; D919-R935 IonicContact OD1-NH2 2.81Å; D919-R935 PolarHBondContact OD1-NH2 3.37Å; D919-R935 VanDerWaalsContact OD2-CG 3.3Å; D919-R935 WeakPolarHBondContact OD2-CG 3.34Å; D919-R935 IonicContact OD2-NE 2.72Å; D919-R935 PolarHBondContact OD2-NE 3.48Å; D919-R935 VanDerWaalsContact OD2-NE 3.11Å
920T77.8Confident73.6Confident44 Ų4463.1 Ų63.127%0.2737%0.37SS..EExtended strand (participates in β ladder)trans-135156.618054.70000111.9D888 N933D888-T920 HydrophobicContact CB-CG2 4.35Å; D888-T920 VanDerWaalsContact OD1-CG2 3.31Å; D888-T920 WeakPolarHBondContact OD1-CG2 3.2Å; T920-N933 PolarHBondContact O-N 3.04Å; T920-N933 WeakPolarHBondContact OG1-CB 3.3Å; T920-N933 PolarHBondContact OG1-ND2 3.46Å
921C82.8Confident74.1Confident13 Ų1364.6 Ų64.69%0.08838%0.375CS..EExtended strand (participates in β ladder)trans-139.4157.4166.171.70000109.9C905 V930 I931C905-C921 WeakPolarHBondContact CA-SG 3.48Å; C905-C921 HydrophobicContact CB-CB 3.75Å; C905-C921 WeakPolarHBondContact CB-SG 3.46Å; C905-C921 WeakPolarHBondContact SG-CB 3.17Å; C905-C921 PolarHBondContact SG-N 2.79Å; C905-C921 VanDerWaalsContact SG-N 3.43Å; C905-C921 CovalentContact SG-SG 2.02Å; C905-C921 PolarHBondContact SG-SG 2.84Å; C921-V930 HydrophobicContact CB-CG1 3.72Å; C921-V930 WeakPolarHBondContact SG-CG1 3.5Å; C921-I931 CarbonylContact C-O 3.39Å; C921-I931 WeakPolarHBondContact CA-O 3.31Å; C921-I931 WeakPolarHBondContact CB-O 3.42Å
922Y78.2Confident75.1Confident113 Ų11362.2 Ų62.244%0.44336%0.36SS..EExtended strand (participates in β ladder)trans-131.8151.7174.863.4-86.7000110.7D924 V930 I931Y922-D924 HydrophobicContact CE2-CB 4.48Å; Y922-V930 WeakPolarHBondContact O-CA 3.33Å; Y922-I931 HydrophobicContact CE1-CB 3.98Å; Y922-I931 HydrophobicContact CE1-CG2 3.97Å; Y922-I931 HydrophobicContact CE2-CB 4.16Å; Y922-I931 HydrophobicContact CE2-CD1 3.95Å; Y922-I931 HydrophobicContact CE2-CG1 4.47Å; Y922-I931 PolarHBondContact N-O 2.82Å; Y922-I931 PolarHBondContact O-N 2.72Å
923L76.6Confident75.9Confident61 Ų6161.7 Ų61.732%0.31934%0.337SS..EExtended strand (participates in β ladder)trans-84.9115.2171.3-178.468.2000108.2Y891 H925 E928 V930Y891-L923 HydrophobicContact CD2-CB 3.92Å; Y891-L923 HydrophobicContact CD2-CD2 4.44Å; Y891-L923 HydrophobicContact CE2-CB 4.48Å; Y891-L923 HydrophobicContact CE2-CD1 4.33Å; Y891-L923 HydrophobicContact CE2-CD2 4.41Å; L923-H925 PolarHBondContact O-N 3.36Å; L923-E928 WeakPolarHBondContact CD1-O 3.32Å; L923-V930 HydrophobicContact CD1-CG2 3.92Å
924D74.7Confident76.6Confident32 Ų3262.5 Ų62.517%0.17134%0.342CS..  trans-69.2115.4170.5170.826.1000109.5Y922 T926 T927 E928 V929 I931Y922-D924 HydrophobicContact CE2-CB 4.48Å; D924-T926 PolarHBondContact O-N 3.48Å; D924-T926 VanDerWaalsContact O-N 3.07Å; D924-T926 VanDerWaalsContact OD1-CB 3.26Å; D924-T926 WeakPolarHBondContact OD1-CB 3.1Å; D924-T926 PolarHBondContact OD1-N 2.91Å; D924-T926 PolarHBondContact OD1-OG1 3.17Å; D924-T927 PolarHBondContact O-N 3.26Å; D924-T927 VanDerWaalsContact OD2-CB 3.3Å; D924-T927 WeakPolarHBondContact OD2-CB 3.35Å; D924-T927 VanDerWaalsContact OD2-CG2 3.24Å; D924-T927 WeakPolarHBondContact OD2-CG2 3.48Å; D924-T927 PolarHBondContact OD2-N 2.8Å; D924-T927 PolarHBondContact OD2-OG1 2.9Å; D924-E928 WeakPolarHBondContact O-CA 3.43Å; D924-E928 PolarHBondContact O-N 3.1Å; D924-V929 PolarHBondContact N-O 2.88Å; D924-I931 HydrophobicContact CB-CD1 4.12Å
925H68Low77.4Confident180 Ų18065 Ų6583%0.83333%0.333SS*.THydrogen-bonded Turntrans-61.6-12.8176.9-57.1-55000113.8L923L923-H925 PolarHBondContact O-N 3.36Å
926T69.5Low77.7Confident128 Ų12870 Ų7079%0.78536%0.357SS*.THydrogen-bonded Turntrans-93.5-40.8-177.5-28.80000112.8D924D924-T926 PolarHBondContact O-N 3.48Å; D924-T926 VanDerWaalsContact O-N 3.07Å; D924-T926 VanDerWaalsContact OD1-CB 3.26Å; D924-T926 WeakPolarHBondContact OD1-CB 3.1Å; D924-T926 PolarHBondContact OD1-N 2.91Å; D924-T926 PolarHBondContact OD1-OG1 3.17Å
927T70.4Confident77.7Confident82 Ų8268.6 Ų68.650%0.50335%0.351SS..THydrogen-bonded Turntrans-108.9-9.8-175.459.60000114.3D924 V929D924-T927 PolarHBondContact O-N 3.26Å; D924-T927 VanDerWaalsContact OD2-CB 3.3Å; D924-T927 WeakPolarHBondContact OD2-CB 3.35Å; D924-T927 VanDerWaalsContact OD2-CG2 3.24Å; D924-T927 WeakPolarHBondContact OD2-CG2 3.48Å; D924-T927 PolarHBondContact OD2-N 2.8Å; D924-T927 PolarHBondContact OD2-OG1 2.9Å; T927-V929 PolarHBondContact O-N 3.43Å; T927-V929 VanDerWaalsContact O-N 3.15Å; T927-V929 PolarHBondContact OG1-N 2.8Å
928E71.1Confident77.8Confident168 Ų16869.7 Ų69.779%0.78535%0.354SS*.  trans5814.1-169.1-56.3-171.6161.400114.1L923 D924L923-E928 WeakPolarHBondContact CD1-O 3.32Å; D924-E928 WeakPolarHBondContact O-CA 3.43Å; D924-E928 PolarHBondContact O-N 3.1Å
929V73.9Confident77.8Confident75 Ų7572.7 Ų72.746%0.45537%0.369SS..PPolyproline II helixtrans-88.1142175.3-1780000109.9D924 T927D924-V929 PolarHBondContact N-O 2.88Å; T927-V929 PolarHBondContact O-N 3.43Å; T927-V929 VanDerWaalsContact O-N 3.15Å; T927-V929 PolarHBondContact OG1-N 2.8Å
930V76.9Confident77.8Confident23 Ų2370.2 Ų70.214%0.13936%0.361CS..EExtended strand (participates in β ladder)trans-91.8118.6173.8-176.80000109.2Y891 P906 C921 Y922 L923Y891-V930 HydrophobicContact CD1-CG1 4.27Å; Y891-V930 HydrophobicContact CD1-CG2 4.2Å; Y891-V930 HydrophobicContact CD2-CG2 4.3Å; Y891-V930 HydrophobicContact CE1-CG2 3.97Å; Y891-V930 HydrophobicContact CE2-CG2 4.05Å; Y891-V930 HydrophobicContact CG-CG2 4.37Å; P906-V930 VanDerWaalsContact CD-CG1 3.46Å; P906-V930 HydrophobicContact CG-CB 3.85Å; P906-V930 HydrophobicContact CG-CG1 3.89Å; C921-V930 HydrophobicContact CB-CG1 3.72Å; C921-V930 WeakPolarHBondContact SG-CG1 3.5Å; Y922-V930 WeakPolarHBondContact O-CA 3.33Å; L923-V930 HydrophobicContact CD1-CG2 3.92Å
931I81.1Confident77.8Confident39 Ų3974.2 Ų74.220%0.238%0.377CS..EExtended strand (participates in β ladder)trans-103.3132.2-175.7-60.3174000109.2C921 Y922 D924C921-I931 CarbonylContact C-O 3.39Å; C921-I931 WeakPolarHBondContact CA-O 3.31Å; C921-I931 WeakPolarHBondContact CB-O 3.42Å; Y922-I931 HydrophobicContact CE1-CB 3.98Å; Y922-I931 HydrophobicContact CE1-CG2 3.97Å; Y922-I931 HydrophobicContact CE2-CB 4.16Å; Y922-I931 HydrophobicContact CE2-CD1 3.95Å; Y922-I931 HydrophobicContact CE2-CG1 4.47Å; Y922-I931 PolarHBondContact N-O 2.82Å; Y922-I931 PolarHBondContact O-N 2.72Å; D924-I931 HydrophobicContact CB-CD1 4.12Å
932C85.1Confident77.7Confident8 Ų880.3 Ų80.35%0.05440%0.398CS..EExtended strand (participates in β ladder)trans-94.4132.2-179-67.10000112.4C907 A918 C934 E941C907-C932 WeakPolarHBondContact CA-SG 3.36Å; C907-C932 HydrophobicContact CB-CB 3.98Å; C907-C932 WeakPolarHBondContact CB-SG 3.35Å; C907-C932 PolarHBondContact N-SG 2.81Å; C907-C932 WeakPolarHBondContact SG-CB 3.24Å; C907-C932 CovalentContact SG-SG 2.03Å; C907-C932 PolarHBondContact SG-SG 3.06Å; A918-C932 HydrophobicContact CB-CB 3.92Å; C932-C934 PolarHBondContact O-N 2.81Å; C932-E941 WeakPolarHBondContact CB-O 3.36Å; C932-E941 PolarHBondContact N-O 2.95Å
933N82.9Confident78Confident76 Ų7675 Ų7541%0.40638%0.377SS..EExtended strand (participates in β ladder)trans-87.297.8173.7-68.1-35.7000110.1A918 T920A918-N933 VanDerWaalsContact CA-O 3.31Å; A918-N933 WeakPolarHBondContact CA-O 3.26Å; A918-N933 WeakPolarHBondContact CB-O 3.46Å; T920-N933 PolarHBondContact O-N 3.04Å; T920-N933 WeakPolarHBondContact OG1-CB 3.3Å; T920-N933 PolarHBondContact OG1-ND2 3.46Å
934C83.4Confident78.3Confident47 Ų4774 Ų7432%0.31837%0.372SS..EExtended strand (participates in β ladder)trans-67.7142.3-173.1-54.80000114.4C932 Y938 G940 C943C932-C934 PolarHBondContact O-N 2.81Å; C934-Y938 WeakPolarHBondContact CB-O 2.95Å; C934-G940 PolarHBondContact SG-O 3.37Å; C934-C943 WeakPolarHBondContact CA-SG 3.47Å; C934-C943 HydrophobicContact CB-CB 3.7Å; C934-C943 WeakPolarHBondContact CB-SG 3Å; C934-C943 WeakPolarHBondContact SG-CA 3.34Å; C934-C943 WeakPolarHBondContact SG-CB 3.32Å; C934-C943 CovalentContact SG-SG 2.03Å; C934-C943 PolarHBondContact SG-SG 3.25Å
935R82Confident78.7Confident109 Ų10978.6 Ų78.641%0.41139%0.387SS..PPolyproline II helixtrans-65.1150.1167.8-69.8178.2-180164.70.4110.4H917 D919 G937 Y938H917-R935 PolarHBondContact O-N 2.93Å; D919-R935 IonicContact OD1-CZ 3.64Å; D919-R935 VanDerWaalsContact OD1-CZ 3.23Å; D919-R935 IonicContact OD1-NE 2.73Å; D919-R935 PolarHBondContact OD1-NE 3.2Å; D919-R935 IonicContact OD1-NH2 2.81Å; D919-R935 PolarHBondContact OD1-NH2 3.37Å; D919-R935 VanDerWaalsContact OD2-CG 3.3Å; D919-R935 WeakPolarHBondContact OD2-CG 3.34Å; D919-R935 IonicContact OD2-NE 2.72Å; D919-R935 PolarHBondContact OD2-NE 3.48Å; D919-R935 VanDerWaalsContact OD2-NE 3.11Å; R935-G937 PolarHBondContact O-N 3.42Å; R935-Y938 HydrophobicContact CB-CD2 3.86Å; R935-Y938 HydrophobicContact CB-CE2 4.28Å; R935-Y938 WeakPolarHBondContact O-CD2 3.13Å; R935-Y938 PolarHBondContact O-N 3.21Å
936H80.6Confident79.5Confident154 Ų15470.6 Ų70.671%0.71335%0.351SS*.THydrogen-bonded Turntrans-60.6124.3174.1-168.874000110.1Y950H936-Y950 PolarHBondContact NE2-OH 3.32Å
937G77.2Confident80Confident0 Ų066.4 Ų66.40%032%0.324CS..THydrogen-bonded Turntrans115.5-20.4-168.600000113.5R935 C946 M947 C961R935-G937 PolarHBondContact O-N 3.42Å; G937-C946 WeakPolarHBondContact O-CA 3.17Å; G937-M947 PolarHBondContact N-SD 2.77Å; G937-M947 PolarHBondContact O-N 2.99Å; G937-C961 VanDerWaalsContact O-CB 3.28Å; G937-C961 WeakPolarHBondContact O-CB 3.4Å
938Y85.9Confident80.3Confident32 Ų3267.7 Ų67.713%0.12533%0.325CS..EExtended strand (participates in β ladder)trans-124.8146.7-171.5-52-96.7000112.4H917 C934 R935 R945 P954 S960 C961H917-Y938 HydrophobicContact CB-CD1 3.58Å; H917-Y938 HydrophobicContact CB-CD2 4.17Å; H917-Y938 HydrophobicContact CB-CE1 4Å; H917-Y938 HydrophobicContact CB-CG 3.69Å; H917-Y938 AromaticContact CD2-CD1 3.88Å; H917-Y938 AromaticContact CD2-CE1 3.93Å; H917-Y938 AromaticContact CE1-CE1 3.67Å; H917-Y938 AromaticContact CG-CD1 3.46Å; H917-Y938 VanDerWaalsContact CG-CD1 3.46Å; H917-Y938 AromaticContact CG-CE1 3.47Å; H917-Y938 VanDerWaalsContact CG-CE1 3.47Å; H917-Y938 AromaticContact ND1-CD1 3.84Å; H917-Y938 AromaticContact ND1-CE1 3.31Å; H917-Y938 VanDerWaalsContact ND1-CE1 3.31Å; H917-Y938 WeakPolarHBondContact ND1-CE1 3.49Å; H917-Y938 AromaticContact ND1-CZ 3.62Å; C934-Y938 WeakPolarHBondContact CB-O 2.95Å; R935-Y938 HydrophobicContact CB-CD2 3.86Å; R935-Y938 HydrophobicContact CB-CE2 4.28Å; R935-Y938 WeakPolarHBondContact O-CD2 3.13Å; R935-Y938 PolarHBondContact O-N 3.21Å; Y938-R945 CarbonylContact C-O 3.57Å; Y938-R945 VanDerWaalsContact CA-O 3.31Å; Y938-R945 WeakPolarHBondContact CA-O 3.33Å; Y938-P954 HydrophobicContact CD1-CB 3.87Å; Y938-P954 HydrophobicContact CE1-CB 3.95Å; Y938-S960 WeakPolarHBondContact OH-CA 3.47Å; Y938-C961 HydrophobicContact CD1-CB 3.98Å; Y938-C961 VanDerWaalsContact CD1-SG 3.52Å; Y938-C961 HydrophobicContact CE1-CB 3.66Å; Y938-C961 WeakPolarHBondContact CE1-SG 3.42Å; Y938-C961 HydrophobicContact CE2-CB 4.43Å; Y938-C961 HydrophobicContact CG-CB 4.5Å; Y938-C961 PolarHBondContact OH-N 3.4Å; Y938-C961 VanDerWaalsContact OH-N 3.08Å
939E80.7Confident80.5Confident64 Ų6460.2 Ų60.230%0.29929%0.291SS..EExtended strand (participates in β ladder)trans-138.7165.1-177.768.8164.4-130.700114.1C943 D944 R945 M947E939-C943 CarbonylContact O-C 3.42Å; E939-C943 VanDerWaalsContact O-CA 3.28Å; E939-C943 WeakPolarHBondContact O-CA 3.39Å; E939-D944 PolarHBondContact O-N 2.82Å; E939-D944 VanDerWaalsContact O-N 3.16Å; E939-R945 HydrophobicContact CG-CB 3.74Å; E939-R945 PolarHBondContact N-O 3.5Å; E939-R945 PolarHBondContact O-N 2.85Å; E939-R945 IonicContact OE1-CZ 3.69Å; E939-R945 IonicContact OE1-NH1 2.71Å; E939-R945 PolarHBondContact OE1-NH1 3.22Å; E939-R945 VanDerWaalsContact OE1-NH1 3.09Å; E939-M947 HydrophobicContact CB-CG 4.2Å
940G75.5Confident81Confident26 Ų2658.5 Ų58.527%0.26828%0.276SS..THydrogen-bonded Turntrans99.4162.317900000113.7C934 R942 C943C934-G940 PolarHBondContact SG-O 3.37Å; G940-R942 PolarHBondContact O-N 3.33Å; G940-C943 PolarHBondContact O-N 2.63Å
941E76.6Confident81.4Confident129 Ų12961.6 Ų61.660%0.60329%0.286SS*.THydrogen-bonded Turntrans-49.3-25.3-178.5-65.5-63.2143.500115C932C932-E941 WeakPolarHBondContact CB-O 3.36Å; C932-E941 PolarHBondContact N-O 2.95Å
942R81Confident81.4Confident141 Ų14160.8 Ų60.853%0.53229%0.286SS..THydrogen-bonded Turntrans-122.86.6177.4-61.7-174177.6-157.23.4113.3P906 P908 G940 D944P906-R942 WeakPolarHBondContact O-CD 3.47Å; P906-R942 PolarHBondContact O-NH1 2.81Å; P908-R942 WeakPolarHBondContact CD-O 3.11Å; G940-R942 PolarHBondContact O-N 3.33Å; R942-D944 VanDerWaalsContact C-N 3.35Å
943C85.6Confident81.1Confident0 Ų063.3 Ų63.30%030%0.299CS..THydrogen-bonded Turntrans63.541.6-178.4-37.70000112.3H917 C934 E939 G940H917-C943 HydrophobicContact CB-CB 3.94Å; C934-C943 WeakPolarHBondContact CA-SG 3.47Å; C934-C943 HydrophobicContact CB-CB 3.7Å; C934-C943 WeakPolarHBondContact CB-SG 3Å; C934-C943 WeakPolarHBondContact SG-CA 3.34Å; C934-C943 WeakPolarHBondContact SG-CB 3.32Å; C934-C943 CovalentContact SG-SG 2.03Å; C934-C943 PolarHBondContact SG-SG 3.25Å; E939-C943 CarbonylContact O-C 3.42Å; E939-C943 VanDerWaalsContact O-CA 3.28Å; E939-C943 WeakPolarHBondContact O-CA 3.39Å; G940-C943 PolarHBondContact O-N 2.63Å
944D81.6Confident80.9Confident40 Ų4059.9 Ų59.921%0.21428%0.281CS..  trans-99.810.5-170.182.9-49.9000113.4E939 R942 K955E939-D944 PolarHBondContact O-N 2.82Å; E939-D944 VanDerWaalsContact O-N 3.16Å; R942-D944 VanDerWaalsContact C-N 3.35Å; D944-K955 WeakPolarHBondContact O-CE 3.35Å; D944-K955 WeakPolarHBondContact OD2-CE 3.49Å; D944-K955 IonicContact OD2-NZ 2.96Å; D944-K955 PolarHBondContact OD2-NZ 3.06Å
945R82.7Confident80.5Confident129 Ų12963.5 Ų63.549%0.48729%0.292SS..EExtended strand (participates in β ladder)trans-143155.8-178.5-77.1175-82.2153.9-13.7110.3Y938 E939Y938-R945 CarbonylContact C-O 3.57Å; Y938-R945 VanDerWaalsContact CA-O 3.31Å; Y938-R945 WeakPolarHBondContact CA-O 3.33Å; E939-R945 HydrophobicContact CG-CB 3.74Å; E939-R945 PolarHBondContact N-O 3.5Å; E939-R945 PolarHBondContact O-N 2.85Å; E939-R945 IonicContact OE1-CZ 3.69Å; E939-R945 IonicContact OE1-NH1 2.71Å; E939-R945 PolarHBondContact OE1-NH1 3.22Å; E939-R945 VanDerWaalsContact OE1-NH1 3.09Å
946C84.8Confident80Confident12 Ų1264 Ų648%0.08130%0.298CS..EExtended strand (participates in β ladder)trans-79.4143.7170.4-570000111G937 C961G937-C946 WeakPolarHBondContact O-CA 3.17Å; C946-C961 WeakPolarHBondContact CA-SG 3.33Å; C946-C961 HydrophobicContact CB-CB 3.68Å; C946-C961 WeakPolarHBondContact CB-SG 3.37Å; C946-C961 WeakPolarHBondContact SG-CB 3.42Å; C946-C961 CovalentContact SG-SG 2.04Å; C946-C961 PolarHBondContact SG-SG 3.43Å
947M81.9Confident79.3Confident41 Ų4162.5 Ų62.520%0.20230%0.3CS..PPolyproline II helixtrans-60160.3171.4-74.4-179.4-11.600111.5G937 E939 N949 Y950G937-M947 PolarHBondContact N-SD 2.77Å; G937-M947 PolarHBondContact O-N 2.99Å; E939-M947 HydrophobicContact CB-CG 4.2Å; M947-N949 PolarHBondContact O-N 3.18Å; M947-Y950 HydrophobicContact CB-CD2 4.13Å; M947-Y950 HydrophobicContact CE-CD2 3.97Å; M947-Y950 HydrophobicContact CE-CE2 3.64Å; M947-Y950 WeakPolarHBondContact O-CB 3.49Å; M947-Y950 PolarHBondContact O-N 3.26Å
948M75.5Confident78.7Confident109 Ų10965.8 Ų65.854%0.53733%0.334SS..THydrogen-bonded Turntrans-52.8133.1173.7-60.2178.263.200111.9Y950 P975M948-Y950 PolarHBondContact O-N 2.89Å; M948-P975 HydrophobicContact CE-CB 3.41Å; M948-P975 VanDerWaalsContact CE-CB 3.41Å; M948-P975 HydrophobicContact CE-CG 3.69Å
949N74.8Confident77.9Confident11 Ų1165 Ų656%0.05934%0.336CS..THydrogen-bonded Turntrans63.917.3-175.1-57.9-33.2000115.6M947 C964 F972 V974 S977M947-N949 PolarHBondContact O-N 3.18Å; N949-C964 PolarHBondContact O-N 2.92Å; N949-C964 PolarHBondContact O-SG 3.35Å; N949-F972 HydrophobicContact CB-CD1 4.29Å; N949-F972 PolarHBondContact ND2-O 2.73Å; N949-V974 PolarHBondContact ND2-O 3.25Å; N949-S977 PolarHBondContact OD1-N 2.7Å
950Y85.9Confident77.6Confident39 Ų3964.4 Ų64.415%0.15334%0.338CS..EExtended strand (participates in β ladder)trans-110.9152.3161.7-72.3-114.9000109.8H936 M947 M948 E962 R963 H980H936-Y950 PolarHBondContact NE2-OH 3.32Å; M947-Y950 HydrophobicContact CB-CD2 4.13Å; M947-Y950 HydrophobicContact CE-CD2 3.97Å; M947-Y950 HydrophobicContact CE-CE2 3.64Å; M947-Y950 WeakPolarHBondContact O-CB 3.49Å; M947-Y950 PolarHBondContact O-N 3.26Å; M948-Y950 PolarHBondContact O-N 2.89Å; Y950-E962 CarbonylContact C-O 3.53Å; Y950-E962 WeakPolarHBondContact CA-O 3.19Å; Y950-E962 WeakPolarHBondContact CB-O 3.37Å; Y950-E962 VanDerWaalsContact CD1-C 3.47Å; Y950-R963 HydrophobicContact CD1-CB 4.16Å; Y950-R963 HydrophobicContact CE1-CB 3.8Å; Y950-R963 HydrophobicContact CE2-CB 4.5Å; Y950-H980 WeakPolarHBondContact O-CA 3.44Å
951W84.6Confident78.1Confident88 Ų8863.7 Ų63.733%0.33333%0.329SS..EExtended strand (participates in β ladder)trans-130.5151.8-178.578.8-73.8000112.9C961 E962 D979 H980 G983W951-C961 CarbonylContact O-C 3.48Å; W951-C961 WeakPolarHBondContact O-CA 3.49Å; W951-E962 VanDerWaalsContact CD1-O 3.3Å; W951-E962 PolarHBondContact N-O 3.45Å; W951-E962 PolarHBondContact O-N 2.83Å; W951-D979 WeakPolarHBondContact CB-O 3.21Å; W951-H980 VanDerWaalsContact CA-O 3.3Å; W951-H980 WeakPolarHBondContact CA-O 3.42Å; W951-G983 VanDerWaalsContact CD2-CA 3.42Å
952G81.4Confident78.4Confident21 Ų2162.7 Ų62.722%0.21633%0.325CS..EExtended strand (participates in β ladder)trans143.8-165.517600000113.3S960 H980G952-S960 WeakPolarHBondContact CA-O 3.45Å; G952-H980 PolarHBondContact N-O 2.8Å; G952-H980 VanDerWaalsContact N-O 3.13Å
953N79.5Confident78.5Confident61 Ų6162.6 Ų62.633%0.32632%0.324SS..  trans-134.586-178.7-169.53.4000112.6K955 E956 G959 S960N953-K955 PolarHBondContact O-N 3.07Å; N953-K955 PolarHBondContact OD1-N 3.19Å; N953-E956 PolarHBondContact ND2-OE1 2.89Å; N953-E956 PolarHBondContact ND2-OE2 3.33Å; N953-E956 PolarHBondContact O-N 3.24Å; N953-G959 WeakPolarHBondContact O-CA 3.45Å; N953-S960 PolarHBondContact N-O 3.3Å
954P77.3Confident78.2Confident5 Ų562.7 Ų62.73%0.03233%0.325CS..THydrogen-bonded Turntrans-69.42-175.828.1-35.3000114.8H917 Y938H917-P954 PolarHBondContact CD2-O 3.05Å; H917-P954 WeakPolarHBondContact NE2-CB 3.28Å; H917-P954 PolarHBondContact NE2-O 2.04Å; Y938-P954 HydrophobicContact CD1-CB 3.87Å; Y938-P954 HydrophobicContact CE1-CB 3.95Å
955K75.2Confident78.2Confident122 Ų12265.5 Ų65.553%0.5334%0.34SS..THydrogen-bonded Turntrans-98.2-8.2179.6-58-168.4-178.5-160.40113.9D944 N953D944-K955 WeakPolarHBondContact O-CE 3.35Å; D944-K955 WeakPolarHBondContact OD2-CE 3.49Å; D944-K955 IonicContact OD2-NZ 2.96Å; D944-K955 PolarHBondContact OD2-NZ 3.06Å; N953-K955 PolarHBondContact O-N 3.07Å; N953-K955 PolarHBondContact OD1-N 3.19Å
956E71.8Confident78.2Confident119 Ų11959.4 Ų59.456%0.55632%0.317SS*.SBendtrans-98.4150.4177.7-79166.7-178.600111.1N953 G958 G959N953-E956 PolarHBondContact ND2-OE1 2.89Å; N953-E956 PolarHBondContact ND2-OE2 3.33Å; N953-E956 PolarHBondContact O-N 3.24Å; E956-G958 PolarHBondContact O-N 3.39Å; E956-G958 VanDerWaalsContact O-N 3.16Å; E956-G959 PolarHBondContact O-N 2.83Å
957V66.6Low78Confident124 Ų12460.8 Ų60.875%0.75232%0.324SS*.THydrogen-bonded Turntrans-65.8115.1179.3-1790000108.8F915F915-V957 HydrophobicContact CD1-CG2 3.97Å; F915-V957 HydrophobicContact CE1-CG2 4Å
958G64.7Low77.8Confident68 Ų6861 Ų6170%0.70134%0.336SS*.THydrogen-bonded Turntrans87.61.1-173.400000115.3E956E956-G958 PolarHBondContact O-N 3.39Å; E956-G958 VanDerWaalsContact O-N 3.16Å
959G67.8Low78.2Confident17 Ų1755.8 Ų55.818%0.17531%0.311CS..  trans-75.9123.3177.200000113.1H917 N953 E956H917-G959 PolarHBondContact CE1-O 3.2Å; N953-G959 WeakPolarHBondContact O-CA 3.45Å; E956-G959 PolarHBondContact O-N 2.83Å
960S75.8Confident78.5Confident50 Ų5055.7 Ų55.735%0.3531%0.31SS..  trans-102.9170.8175.856.40000112.1Y938 G952 N953Y938-S960 WeakPolarHBondContact OH-CA 3.47Å; G952-S960 WeakPolarHBondContact CA-O 3.45Å; N953-S960 PolarHBondContact N-O 3.3Å
961C84.9Confident78Confident11 Ų1157.1 Ų57.17%0.07432%0.321CS..EExtended strand (participates in β ladder)trans-115.4112.2164.6-69.60000109.5G937 Y938 C946 W951G937-C961 VanDerWaalsContact O-CB 3.28Å; G937-C961 WeakPolarHBondContact O-CB 3.4Å; Y938-C961 HydrophobicContact CD1-CB 3.98Å; Y938-C961 VanDerWaalsContact CD1-SG 3.52Å; Y938-C961 HydrophobicContact CE1-CB 3.66Å; Y938-C961 WeakPolarHBondContact CE1-SG 3.42Å; Y938-C961 HydrophobicContact CE2-CB 4.43Å; Y938-C961 HydrophobicContact CG-CB 4.5Å; Y938-C961 PolarHBondContact OH-N 3.4Å; Y938-C961 VanDerWaalsContact OH-N 3.08Å; C946-C961 WeakPolarHBondContact CA-SG 3.33Å; C946-C961 HydrophobicContact CB-CB 3.68Å; C946-C961 WeakPolarHBondContact CB-SG 3.37Å; C946-C961 WeakPolarHBondContact SG-CB 3.42Å; C946-C961 CovalentContact SG-SG 2.04Å; C946-C961 PolarHBondContact SG-SG 3.43Å; W951-C961 CarbonylContact O-C 3.48Å; W951-C961 WeakPolarHBondContact O-CA 3.49Å
962E82.1Confident77.4Confident108 Ų10856.2 Ų56.251%0.50532%0.319SS..EExtended strand (participates in β ladder)trans-103.5148.7-177.3-62.3-168.5170.600111.6Y950 W951Y950-E962 CarbonylContact C-O 3.53Å; Y950-E962 WeakPolarHBondContact CA-O 3.19Å; Y950-E962 WeakPolarHBondContact CB-O 3.37Å; Y950-E962 VanDerWaalsContact CD1-C 3.47Å; W951-E962 VanDerWaalsContact CD1-O 3.3Å; W951-E962 PolarHBondContact N-O 3.45Å; W951-E962 PolarHBondContact O-N 2.83Å
963R83.5Confident77Confident139 Ų13963.8 Ų63.853%0.52535%0.349SS..EExtended strand (participates in β ladder)trans-70.1134.7174.6-177.1177.4178.1174.11.2108.8Y950 D965 F972Y950-R963 HydrophobicContact CD1-CB 4.16Å; Y950-R963 HydrophobicContact CE1-CB 3.8Å; Y950-R963 HydrophobicContact CE2-CB 4.5Å; R963-D965 PolarHBondContact O-N 3.5Å; R963-F972 HydrophobicContact CG-CD1 4.45Å; R963-F972 HydrophobicContact CG-CE1 3.74Å; R963-F972 HydrophobicContact CG-CZ 4.37Å; R963-F972 VanDerWaalsContact NH2-CE2 3.28Å; R963-F972 VanDerWaalsContact NH2-CG 3.31Å
964C79.1Confident76.5Confident3 Ų363.1 Ų63.12%0.0235%0.347CS..PPolyproline II helixtrans-65.9132.5179.1-58.30000112.3N949 F972 C978N949-C964 PolarHBondContact O-N 2.92Å; N949-C964 PolarHBondContact O-SG 3.35Å; C964-F972 WeakPolarHBondContact O-CE1 3.43Å; C964-F972 WeakPolarHBondContact O-CZ 3.33Å; C964-C978 HydrophobicContact CB-CB 3.44Å; C964-C978 VanDerWaalsContact CB-CB 3.44Å; C964-C978 WeakPolarHBondContact CB-SG 3.16Å; C964-C978 WeakPolarHBondContact SG-CB 3.4Å; C964-C978 CovalentContact SG-SG 2.01Å; C964-C978 PolarHBondContact SG-SG 3.47Å
965D82.2Confident76.1Confident98 Ų9866.2 Ų66.252%0.52437%0.367SS..  trans-101.6113.4174.4-177.614.4000110.7R963 N967 Q996R963-D965 PolarHBondContact O-N 3.5Å; D965-N967 PolarHBondContact OD1-N 2.63Å; D965-Q996 WeakPolarHBondContact O-CG 3.26Å; D965-Q996 PolarHBondContact O-NE2 2.79Å
966C83.5Confident76Confident1 Ų165.2 Ų65.21%0.00737%0.367CS..  trans-127.534.5-176.2-52.80000111.8G968 N969 I970 C985 Q996C966-G968 PolarHBondContact O-N 3.49Å; C966-N969 WeakPolarHBondContact O-CB 3.08Å; C966-N969 PolarHBondContact O-N 2.92Å; C966-I970 HydrophobicContact CB-CB 4.26Å; C966-I970 HydrophobicContact CB-CD1 4.23Å; C966-I970 HydrophobicContact CB-CG1 3.85Å; C966-I970 HydrophobicContact CB-CG2 3.59Å; C966-I970 VanDerWaalsContact SG-CD1 3.54Å; C966-C985 WeakPolarHBondContact CA-SG 3.43Å; C966-C985 HydrophobicContact CB-CB 3.84Å; C966-C985 WeakPolarHBondContact CB-SG 3.48Å; C966-C985 WeakPolarHBondContact SG-CB 3.42Å; C966-C985 CovalentContact SG-SG 2.01Å; C966-C985 PolarHBondContact SG-SG 3.37Å; C966-Q996 CarbonylContact C-O 3.58Å; C966-Q996 VanDerWaalsContact CA-O 3.24Å; C966-Q996 WeakPolarHBondContact CA-O 3.19Å
967N80.2Confident76.4Confident42 Ų4259.6 Ų59.623%0.22534%0.341CS..THydrogen-bonded Turntrans53.925.7179.5-64.5-82.7000114.8D965 N969 Q996D965-N967 PolarHBondContact OD1-N 2.63Å; N967-N969 PolarHBondContact O-N 2.96Å; N967-Q996 WeakPolarHBondContact ND2-CB 3.07Å; N967-Q996 PolarHBondContact ND2-O 3.34Å
968G77Confident77Confident45 Ų4553.9 Ų53.946%0.46431%0.307SS..THydrogen-bonded Turntrans73.57.9-174.800000115.3C966C966-G968 PolarHBondContact O-N 3.49Å
969N83.9Confident77.7Confident0 Ų052.9 Ų52.90%029%0.285CS..  trans-101.628.7-175.3-65.6-29.2000113.3C966 N967 C988 I989 Y990 C997 A1008 Q1011C966-N969 WeakPolarHBondContact O-CB 3.08Å; C966-N969 PolarHBondContact O-N 2.92Å; N967-N969 PolarHBondContact O-N 2.96Å; N969-C988 CarbonylContact O-C 3Å; N969-C988 WeakPolarHBondContact O-CA 3.32Å; N969-I989 VanDerWaalsContact C-CG1 3.44Å; N969-I989 WeakPolarHBondContact O-CG1 3.33Å; N969-I989 PolarHBondContact O-N 3.45Å; N969-Y990 WeakPolarHBondContact OD1-CD2 3.13Å; N969-C997 HydrophobicContact CB-CB 3.54Å; N969-C997 PolarHBondContact ND2-O 2.99Å; N969-A1008 PolarHBondContact ND2-O 3.47Å; N969-Q1011 WeakPolarHBondContact OD1-CG 3.39Å
970I81.3Confident78.2Confident9 Ų957 Ų575%0.04630%0.299CS..SBendtrans-130.7156.7165.166.1162.7000110.8C966 F972 C985C966-I970 HydrophobicContact CB-CB 4.26Å; C966-I970 HydrophobicContact CB-CD1 4.23Å; C966-I970 HydrophobicContact CB-CG1 3.85Å; C966-I970 HydrophobicContact CB-CG2 3.59Å; C966-I970 VanDerWaalsContact SG-CD1 3.54Å; I970-F972 HydrophobicContact CD1-CD1 4.13Å; I970-F972 HydrophobicContact CD1-CE1 3.88Å; I970-F972 HydrophobicContact CD1-CE2 4.43Å; I970-F972 HydrophobicContact CD1-CG 4.5Å; I970-F972 HydrophobicContact CD1-CZ 4.06Å; I970-F972 HydrophobicContact CG1-CD2 4.32Å; I970-F972 HydrophobicContact CG1-CE1 4.43Å; I970-F972 HydrophobicContact CG1-CE2 4.09Å; I970-F972 HydrophobicContact CG1-CZ 4.14Å; I970-C985 HydrophobicContact CG2-CB 4.12Å
971D75.9Confident78.1Confident69 Ų6961.7 Ų61.737%0.36931%0.314SS..  trans-88.2117.6165.5-171.5-17.3000110E973 V974 S977D971-E973 WeakPolarHBondContact OD1-CB 3.42Å; D971-E973 PolarHBondContact OD1-N 3.04Å; D971-V974 HydrophobicContact CB-CB 4.19Å; D971-V974 HydrophobicContact CB-CG2 3.86Å; D971-V974 PolarHBondContact O-N 2.03Å; D971-V974 WeakPolarHBondContact OD2-CG2 3.49Å; D971-S977 VanDerWaalsContact O-CB 3.26Å; D971-S977 WeakPolarHBondContact O-CB 3.42Å; D971-S977 PolarHBondContact O-OG 3.35Å
972F72Confident77.8Confident69 Ų6962.9 Ų62.930%0.30332%0.322SS..SBendtrans-77.2-16.2178.5-74.9-83.2000113.8N949 R963 C964 I970N949-F972 HydrophobicContact CB-CD1 4.29Å; N949-F972 PolarHBondContact ND2-O 2.73Å; R963-F972 HydrophobicContact CG-CD1 4.45Å; R963-F972 HydrophobicContact CG-CE1 3.74Å; R963-F972 HydrophobicContact CG-CZ 4.37Å; R963-F972 VanDerWaalsContact NH2-CE2 3.28Å; R963-F972 VanDerWaalsContact NH2-CG 3.31Å; C964-F972 WeakPolarHBondContact O-CE1 3.43Å; C964-F972 WeakPolarHBondContact O-CZ 3.33Å; I970-F972 HydrophobicContact CD1-CD1 4.13Å; I970-F972 HydrophobicContact CD1-CE1 3.88Å; I970-F972 HydrophobicContact CD1-CE2 4.43Å; I970-F972 HydrophobicContact CD1-CG 4.5Å; I970-F972 HydrophobicContact CD1-CZ 4.06Å; I970-F972 HydrophobicContact CG1-CD2 4.32Å; I970-F972 HydrophobicContact CG1-CE1 4.43Å; I970-F972 HydrophobicContact CG1-CE2 4.09Å; I970-F972 HydrophobicContact CG1-CZ 4.14Å
973E72.1Confident77.6Confident179 Ų17958.1 Ų58.184%0.83630%0.302SS*.SBendtrans-80.5-20.6173.7-58.9-164.5164.100111.8D971 P975D971-E973 WeakPolarHBondContact OD1-CB 3.42Å; D971-E973 PolarHBondContact OD1-N 3.04Å; E973-P975 WeakPolarHBondContact O-CD 3.15Å
974V69Low77.5Confident48 Ų4857.5 Ų57.529%0.29130%0.3SS..SBendtrans-78.1126.9179170.50000111.2N949 D971 S977 K987N949-V974 PolarHBondContact ND2-O 3.25Å; D971-V974 HydrophobicContact CB-CB 4.19Å; D971-V974 HydrophobicContact CB-CG2 3.86Å; D971-V974 PolarHBondContact O-N 2.03Å; D971-V974 WeakPolarHBondContact OD2-CG2 3.49Å; V974-S977 WeakPolarHBondContact CB-OG 3.43Å; V974-S977 PolarHBondContact O-OG 3.34Å; V974-S977 VanDerWaalsContact O-OG 3.06Å; V974-K987 HydrophobicContact CG1-CD 3.76Å
975P69.5Low77.7Confident69 Ų6957.6 Ų57.645%0.44830%0.3SS..THydrogen-bonded Turntrans-57.5135.6173.3-30.938.7000113.7M948 E973 S977 K987M948-P975 HydrophobicContact CE-CB 3.41Å; M948-P975 VanDerWaalsContact CE-CB 3.41Å; M948-P975 HydrophobicContact CE-CG 3.69Å; E973-P975 WeakPolarHBondContact O-CD 3.15Å; P975-S977 VanDerWaalsContact C-N 3.34Å; P975-S977 PolarHBondContact O-N 3.5Å; P975-K987 PolarHBondContact O-NZ 3.02Å
976N73Confident77.7Confident102 Ų10257.3 Ų57.355%0.54530%0.298SS..THydrogen-bonded Turntrans56.343.5177.9-50.6-36.1000112.8K987N976-K987 WeakPolarHBondContact O-CE 3.04Å
977S79.4Confident77.5Confident1 Ų161.8 Ų61.81%0.00732%0.317CS..SBendtrans-74.4-18.2167.6-69.20000112.3N949 D971 V974 P975 L986 K987N949-S977 PolarHBondContact OD1-N 2.7Å; D971-S977 VanDerWaalsContact O-CB 3.26Å; D971-S977 WeakPolarHBondContact O-CB 3.42Å; D971-S977 PolarHBondContact O-OG 3.35Å; V974-S977 WeakPolarHBondContact CB-OG 3.43Å; V974-S977 PolarHBondContact O-OG 3.34Å; V974-S977 VanDerWaalsContact O-OG 3.06Å; P975-S977 VanDerWaalsContact C-N 3.34Å; P975-S977 PolarHBondContact O-N 3.5Å; S977-L986 PolarHBondContact O-N 3.49Å; S977-K987 PolarHBondContact O-N 3.06Å
978C81.1Confident77.8Confident4 Ų461.3 Ų61.33%0.02732%0.317CS..BIsolated β-bridgetrans-137.5152.4173.41730000110.8C964 H980 G983 R984C964-C978 HydrophobicContact CB-CB 3.44Å; C964-C978 VanDerWaalsContact CB-CB 3.44Å; C964-C978 WeakPolarHBondContact CB-SG 3.16Å; C964-C978 WeakPolarHBondContact SG-CB 3.4Å; C964-C978 CovalentContact SG-SG 2.01Å; C964-C978 PolarHBondContact SG-SG 3.47Å; C978-H980 PolarHBondContact O-N 2.85Å; C978-G983 PolarHBondContact SG-O 2.77Å; C978-G983 VanDerWaalsContact SG-O 3.37Å; C978-R984 CarbonylContact C-O 3.5Å; C978-R984 VanDerWaalsContact CA-O 3.32Å; C978-R984 WeakPolarHBondContact CA-O 3.02Å
979D79.2Confident78.1Confident46 Ų4662.2 Ų62.225%0.24631%0.311CS..  trans-77.7114.9173-179.51.1000112.3W951 K981 S982 G983 R984 L986W951-D979 WeakPolarHBondContact CB-O 3.21Å; D979-K981 PolarHBondContact O-N 3.38Å; D979-K981 PolarHBondContact OD1-N 2.81Å; D979-S982 VanDerWaalsContact CB-OG 3.3Å; D979-S982 WeakPolarHBondContact CB-OG 3.44Å; D979-S982 PolarHBondContact O-N 3.42Å; D979-S982 WeakPolarHBondContact OD2-CB 3.32Å; D979-S982 PolarHBondContact OD2-OG 3.2Å; D979-G983 PolarHBondContact O-N 3.48Å; D979-R984 HydrophobicContact CB-CB 4.43Å; D979-R984 PolarHBondContact N-O 3.33Å; D979-L986 HydrophobicContact CB-CD1 4.13Å; D979-L986 HydrophobicContact CB-CD2 4.4Å; D979-L986 HydrophobicContact CB-CG 4.36Å
980H77.3Confident78.2Confident103 Ų10367.4 Ų67.448%0.47733%0.331SS..THydrogen-bonded Turntrans-54.3-10.9175.871.9-57.3000117.2Y950 W951 G952 C978Y950-H980 WeakPolarHBondContact O-CA 3.44Å; W951-H980 VanDerWaalsContact CA-O 3.3Å; W951-H980 WeakPolarHBondContact CA-O 3.42Å; G952-H980 PolarHBondContact N-O 2.8Å; G952-H980 VanDerWaalsContact N-O 3.13Å; C978-H980 PolarHBondContact O-N 2.85Å
981K73.9Confident78.5Confident150 Ų15070 Ų7065%0.65235%0.345SS*.THydrogen-bonded Turntrans-110.1-31175.2-67.6-169.5177.3-166.20115D979D979-K981 PolarHBondContact O-N 3.38Å; D979-K981 PolarHBondContact OD1-N 2.81Å
982S78.6Confident79Confident35 Ų3566.9 Ų66.925%0.24533%0.328CS..THydrogen-bonded Turntrans-116.2-6.7-167.768.90000114.2D979 R984 Y995D979-S982 VanDerWaalsContact CB-OG 3.3Å; D979-S982 WeakPolarHBondContact CB-OG 3.44Å; D979-S982 PolarHBondContact O-N 3.42Å; D979-S982 WeakPolarHBondContact OD2-CB 3.32Å; D979-S982 PolarHBondContact OD2-OG 3.2Å; S982-R984 PolarHBondContact O-N 3.49Å; S982-R984 VanDerWaalsContact O-N 3.08Å; S982-R984 WeakPolarHBondContact OG-CB 3.46Å; S982-Y995 PolarHBondContact O-OH 3.37Å
983G78Confident79.5Confident8 Ų867.1 Ų67.18%0.08233%0.333CS..  trans70.2-1.1-176.900000114.2W951 C978 D979 C985W951-G983 VanDerWaalsContact CD2-CA 3.42Å; C978-G983 PolarHBondContact SG-O 2.77Å; C978-G983 VanDerWaalsContact SG-O 3.37Å; D979-G983 PolarHBondContact O-N 3.48Å; G983-C985 PolarHBondContact O-N 3.45Å
984R81.1Confident79.6Confident126 Ų12659.3 Ų59.348%0.47530%0.3SS..  trans-66.3130.2-178.4-173.9177.8172.8174.80.9111C978 D979 S982 L986 Y995C978-R984 CarbonylContact C-O 3.5Å; C978-R984 VanDerWaalsContact CA-O 3.32Å; C978-R984 WeakPolarHBondContact CA-O 3.02Å; D979-R984 HydrophobicContact CB-CB 4.43Å; D979-R984 PolarHBondContact N-O 3.33Å; S982-R984 PolarHBondContact O-N 3.49Å; S982-R984 VanDerWaalsContact O-N 3.08Å; S982-R984 WeakPolarHBondContact OG-CB 3.46Å; R984-L986 HydrophobicContact CG-CD2 4.4Å; R984-L986 PolarHBondContact O-N 2.7Å; R984-Y995 HydrophobicContact CB-CD1 4.33Å; R984-Y995 HydrophobicContact CB-CD2 4.41Å; R984-Y995 HydrophobicContact CB-CE1 3.82Å; R984-Y995 HydrophobicContact CB-CE2 3.91Å; R984-Y995 HydrophobicContact CG-CD1 4.38Å; R984-Y995 HydrophobicContact CG-CD2 3.97Å; R984-Y995 HydrophobicContact CG-CE1 4.31Å; R984-Y995 HydrophobicContact CG-CE2 3.9Å; R984-Y995 HydrophobicContact CG-CG 4.22Å
985C84.7Confident80.2Confident5 Ų562.6 Ų62.63%0.03431%0.308CS..BIsolated β-bridgetrans-74.1125.2174.1-50.50000109.6C966 I970 G983 Y995 C997C966-C985 WeakPolarHBondContact CA-SG 3.43Å; C966-C985 HydrophobicContact CB-CB 3.84Å; C966-C985 WeakPolarHBondContact CB-SG 3.48Å; C966-C985 WeakPolarHBondContact SG-CB 3.42Å; C966-C985 CovalentContact SG-SG 2.01Å; C966-C985 PolarHBondContact SG-SG 3.37Å; I970-C985 HydrophobicContact CG2-CB 4.12Å; G983-C985 PolarHBondContact O-N 3.45Å; C985-Y995 WeakPolarHBondContact CB-O 3.4Å; C985-Y995 PolarHBondContact N-O 3.41Å; C985-Y995 PolarHBondContact SG-O 3.24Å; C985-Y995 VanDerWaalsContact SG-O 3.34Å; C985-C997 VanDerWaalsContact CB-SG 3.51Å
986L80.7Confident80.9Confident92 Ų9263 Ų6348%0.48230%0.304SS..SBendtrans-105.8-16.4-171.7-60.2-179.2000113.4S977 D979 R984S977-L986 PolarHBondContact O-N 3.49Å; D979-L986 HydrophobicContact CB-CD1 4.13Å; D979-L986 HydrophobicContact CB-CD2 4.4Å; D979-L986 HydrophobicContact CB-CG 4.36Å; R984-L986 HydrophobicContact CG-CD2 4.4Å; R984-L986 PolarHBondContact O-N 2.7Å
987K80.8Confident81.5Confident95 Ų9558.1 Ų58.141%0.41328%0.278SS..SBendtrans-138.966.6-173.8-63.9-178.5-178.3173.20111.5V974 P975 N976 S977V974-K987 HydrophobicContact CG1-CD 3.76Å; P975-K987 PolarHBondContact O-NZ 3.02Å; N976-K987 WeakPolarHBondContact O-CE 3.04Å; S977-K987 PolarHBondContact O-N 3.06Å
988C84.7Confident81.8Confident32 Ų3261.1 Ų61.122%0.21629%0.292CS..  trans-64139.1176-58.80000111.7N969 T992 C997N969-C988 CarbonylContact O-C 3Å; N969-C988 WeakPolarHBondContact O-CA 3.32Å; C988-T992 WeakPolarHBondContact CB-O 3.35Å; C988-C997 WeakPolarHBondContact CA-SG 3.37Å; C988-C997 HydrophobicContact CB-CB 3.71Å; C988-C997 WeakPolarHBondContact CB-SG 3.34Å; C988-C997 VanDerWaalsContact SG-CA 3.5Å; C988-C997 WeakPolarHBondContact SG-CB 3.31Å; C988-C997 CovalentContact SG-SG 2.03Å; C988-C997 PolarHBondContact SG-SG 3.11Å
989I84.2Confident81.9Confident64 Ų6464 Ų6433%0.32831%0.308SS..  trans-112.3-175.2175.149.6169.2000110.8N969 N991 T992N969-I989 VanDerWaalsContact C-CG1 3.44Å; N969-I989 WeakPolarHBondContact O-CG1 3.33Å; N969-I989 PolarHBondContact O-N 3.45Å; I989-N991 VanDerWaalsContact C-N 3.3Å; I989-N991 PolarHBondContact O-N 2.61Å; I989-T992 PolarHBondContact O-N 2.87Å; I989-T992 VanDerWaalsContact O-N 3.14Å; I989-T992 PolarHBondContact O-OG1 3.49Å
990Y86.5Confident82.2Confident109 Ų10962 Ų6243%0.42730%0.297SS..THydrogen-bonded Turntrans55.833.1178.8-48.9-66.1000116.3N969 T992 Q1011N969-Y990 WeakPolarHBondContact OD1-CD2 3.13Å; Y990-T992 VanDerWaalsContact C-N 3.29Å; Y990-T992 PolarHBondContact O-N 2.89Å; Y990-Q1011 HydrophobicContact CD1-CB 4.27Å; Y990-Q1011 HydrophobicContact CD1-CG 4.3Å; Y990-Q1011 HydrophobicContact CD2-CB 4.31Å; Y990-Q1011 VanDerWaalsContact CD2-CD 3.43Å; Y990-Q1011 HydrophobicContact CD2-CG 3.55Å; Y990-Q1011 HydrophobicContact CE2-CG 4.04Å; Y990-Q1011 HydrophobicContact CG-CB 3.93Å; Y990-Q1011 HydrophobicContact CG-CG 3.7Å
991N86.2Confident82.5Confident65 Ų6560.5 Ų60.535%0.34829%0.291SS..THydrogen-bonded Turntrans60.531.8-176.7-49.1-46000114.6I989 M1001 F1004 C1013I989-N991 VanDerWaalsContact C-N 3.3Å; I989-N991 PolarHBondContact O-N 2.61Å; N991-M1001 HydrophobicContact CB-CE 4.36Å; N991-M1001 PolarHBondContact O-N 2.9Å; N991-F1004 HydrophobicContact CB-CD1 3.58Å; N991-F1004 HydrophobicContact CB-CD2 4.47Å; N991-F1004 HydrophobicContact CB-CE1 3.8Å; N991-F1004 HydrophobicContact CB-CG 3.96Å; N991-F1004 HydrophobicContact CB-CZ 4.34Å; N991-F1004 WeakPolarHBondContact ND2-CE1 3.41Å; N991-C1013 HydrophobicContact CB-CB 3.92Å; N991-C1013 PolarHBondContact ND2-O 3.28Å; N991-C1013 VanDerWaalsContact ND2-O 3.17Å
992T86.6Confident82.7Confident2 Ų257 Ų571%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-106.8160.3179.865.50000113.3C988 I989 Y990 N999 A1008C988-T992 WeakPolarHBondContact CB-O 3.35Å; I989-T992 PolarHBondContact O-N 2.87Å; I989-T992 VanDerWaalsContact O-N 3.14Å; I989-T992 PolarHBondContact O-OG1 3.49Å; Y990-T992 VanDerWaalsContact C-N 3.29Å; Y990-T992 PolarHBondContact O-N 2.89Å; T992-N999 CarbonylContact C-O 3.57Å; T992-N999 WeakPolarHBondContact CA-O 3.48Å; T992-N999 WeakPolarHBondContact CB-O 3.22Å; T992-A1008 HydrophobicContact CG2-CB 3.62Å
993D83.3Confident82.8Confident74 Ų7456.3 Ų56.340%0.39628%0.282SS..EExtended strand (participates in β ladder)trans-154169.8175.3-175.824.4000109.4C997 E998 N999 M1001D993-C997 CarbonylContact O-C 3.51Å; D993-E998 PolarHBondContact O-N 3.44Å; D993-N999 PolarHBondContact N-O 3.2Å; D993-N999 WeakPolarHBondContact O-CA 2.92Å; D993-N999 WeakPolarHBondContact O-CB 3.05Å; D993-N999 PolarHBondContact O-N 3.1Å; D993-N999 PolarHBondContact O-ND2 2.93Å; D993-N999 VanDerWaalsContact O-O 3.08Å; D993-M1001 HydrophobicContact CB-CG 3.8Å
994G74.5Confident83.2Confident15 Ų1558.2 Ų58.216%0.15529%0.288CS..SBendtrans124.9178.2-172.900000112.3Q996 E998G994-Q996 VanDerWaalsContact C-N 3.29Å; G994-Q996 PolarHBondContact O-N 3.34Å; G994-E998 VanDerWaalsContact C-OE2 3.3Å; G994-E998 WeakPolarHBondContact CA-OE1 3.46Å; G994-E998 WeakPolarHBondContact CA-OE2 3.46Å
995Y80.9Confident83.5Confident117 Ų11755 Ų5546%0.45928%0.276SS..THydrogen-bonded Turntrans-69.9-31.9-177.9-159.4-82.7000112S982 R984 C985 E998S982-Y995 PolarHBondContact O-OH 3.37Å; R984-Y995 HydrophobicContact CB-CD1 4.33Å; R984-Y995 HydrophobicContact CB-CD2 4.41Å; R984-Y995 HydrophobicContact CB-CE1 3.82Å; R984-Y995 HydrophobicContact CB-CE2 3.91Å; R984-Y995 HydrophobicContact CG-CD1 4.38Å; R984-Y995 HydrophobicContact CG-CD2 3.97Å; R984-Y995 HydrophobicContact CG-CE1 4.31Å; R984-Y995 HydrophobicContact CG-CE2 3.9Å; R984-Y995 HydrophobicContact CG-CG 4.22Å; C985-Y995 WeakPolarHBondContact CB-O 3.4Å; C985-Y995 PolarHBondContact N-O 3.41Å; C985-Y995 PolarHBondContact SG-O 3.24Å; C985-Y995 VanDerWaalsContact SG-O 3.34Å; Y995-E998 PolarHBondContact N-OE1 3.33Å; Y995-E998 PolarHBondContact N-OE2 3.44Å
996Q84.9Confident83.5Confident78 Ų7855.6 Ų55.636%0.36428%0.283SS..THydrogen-bonded Turntrans-118.821.3176.7-58.1-168.7-74.300112.2D965 C966 N967 G994 E998D965-Q996 WeakPolarHBondContact O-CG 3.26Å; D965-Q996 PolarHBondContact O-NE2 2.79Å; C966-Q996 CarbonylContact C-O 3.58Å; C966-Q996 VanDerWaalsContact CA-O 3.24Å; C966-Q996 WeakPolarHBondContact CA-O 3.19Å; N967-Q996 WeakPolarHBondContact ND2-CB 3.07Å; N967-Q996 PolarHBondContact ND2-O 3.34Å; G994-Q996 VanDerWaalsContact C-N 3.29Å; G994-Q996 PolarHBondContact O-N 3.34Å; Q996-E998 VanDerWaalsContact C-N 3.26Å; Q996-E998 VanDerWaalsContact CA-OE2 3.27Å; Q996-E998 WeakPolarHBondContact CA-OE2 3.48Å; Q996-E998 PolarHBondContact N-OE2 3.33Å; Q996-E998 PolarHBondContact O-N 3.28Å
997C86Confident83.5Confident0 Ų054.4 Ų54.40%028%0.278CS..SBendtrans56.437.9-174.9-50.70000113.5N969 C985 C988 D993N969-C997 HydrophobicContact CB-CB 3.54Å; N969-C997 PolarHBondContact ND2-O 2.99Å; C985-C997 VanDerWaalsContact CB-SG 3.51Å; C988-C997 WeakPolarHBondContact CA-SG 3.37Å; C988-C997 HydrophobicContact CB-CB 3.71Å; C988-C997 WeakPolarHBondContact CB-SG 3.34Å; C988-C997 VanDerWaalsContact SG-CA 3.5Å; C988-C997 WeakPolarHBondContact SG-CB 3.31Å; C988-C997 CovalentContact SG-SG 2.03Å; C988-C997 PolarHBondContact SG-SG 3.11Å; D993-C997 CarbonylContact O-C 3.51Å
998E84Confident83.4Confident63 Ų6350 Ų5029%0.29426%0.259SS..  trans-90.7-6.7-169.772.5-72.1170.800115.3D993 G994 Y995 Q996 A1008D993-E998 PolarHBondContact O-N 3.44Å; G994-E998 VanDerWaalsContact C-OE2 3.3Å; G994-E998 WeakPolarHBondContact CA-OE1 3.46Å; G994-E998 WeakPolarHBondContact CA-OE2 3.46Å; Y995-E998 PolarHBondContact N-OE1 3.33Å; Y995-E998 PolarHBondContact N-OE2 3.44Å; Q996-E998 VanDerWaalsContact C-N 3.26Å; Q996-E998 VanDerWaalsContact CA-OE2 3.27Å; Q996-E998 WeakPolarHBondContact CA-OE2 3.48Å; Q996-E998 PolarHBondContact N-OE2 3.33Å; Q996-E998 PolarHBondContact O-N 3.28Å; E998-A1008 WeakPolarHBondContact O-CB 3.48Å
999N83.1Confident83Confident66 Ų6656.9 Ų56.935%0.35328%0.281SS..EExtended strand (participates in β ladder)trans-121.2153.7-179.6-50.3-81.8000110.7T992 D993T992-N999 CarbonylContact C-O 3.57Å; T992-N999 WeakPolarHBondContact CA-O 3.48Å; T992-N999 WeakPolarHBondContact CB-O 3.22Å; D993-N999 PolarHBondContact N-O 3.2Å; D993-N999 WeakPolarHBondContact O-CA 2.92Å; D993-N999 WeakPolarHBondContact O-CB 3.05Å; D993-N999 PolarHBondContact O-N 3.1Å; D993-N999 PolarHBondContact O-ND2 2.93Å; D993-N999 VanDerWaalsContact O-O 3.08Å
1000C86.1Confident82.8Confident3 Ų358.3 Ų58.32%0.0229%0.292CS..EExtended strand (participates in β ladder)trans-68.4148.5163.4-61.60000110.7F1004 C1013 R1032C1000-F1004 HydrophobicContact CB-CB 4.12Å; C1000-F1004 WeakPolarHBondContact CB-O 3.27Å; C1000-C1013 WeakPolarHBondContact CA-SG 3.39Å; C1000-C1013 HydrophobicContact CB-CB 3.81Å; C1000-C1013 WeakPolarHBondContact CB-SG 3.4Å; C1000-C1013 VanDerWaalsContact SG-CA 3.57Å; C1000-C1013 WeakPolarHBondContact SG-CB 3.48Å; C1000-C1013 CovalentContact SG-SG 2.04Å; C1000-C1013 PolarHBondContact SG-SG 3.13Å; C1000-R1032 WeakPolarHBondContact O-CD 3.48Å; C1000-R1032 PolarHBondContact O-NH1 3.32Å
1001M83Confident82.5Confident71 Ų7157.3 Ų57.335%0.3529%0.292SS..PPolyproline II helixtrans-62.5152.5174-85.4-162.6-87.500111.5N991 D993 G1003 F1004N991-M1001 HydrophobicContact CB-CE 4.36Å; N991-M1001 PolarHBondContact O-N 2.9Å; D993-M1001 HydrophobicContact CB-CG 3.8Å; M1001-G1003 PolarHBondContact O-N 3.21Å; M1001-F1004 HydrophobicContact CB-CD2 4.17Å; M1001-F1004 WeakPolarHBondContact O-CB 3.13Å; M1001-F1004 PolarHBondContact O-N 3.45Å
1002P79.2Confident82.3Confident77 Ų7756.4 Ų56.450%0.529%0.29SS..THydrogen-bonded Turntrans-51.3126.8174.5-25.934.3000112.4P1029P1002-P1029 HydrophobicContact CB-CG 4.37Å
1003G79.8Confident82.3Confident21 Ų2156.7 Ų56.722%0.21629%0.292CS..THydrogen-bonded Turntrans86.74.7-174.300000115.2M1001 C1016M1001-G1003 PolarHBondContact O-N 3.21Å; G1003-C1016 PolarHBondContact O-N 2.86Å
1004F87.5Confident82.3Confident47 Ų4759.7 Ų59.721%0.20630%0.302CS..EExtended strand (participates in β ladder)trans-121.6150.2169.6-67-106.5000110.9N991 C1000 M1001 C1013 K1014 K1015N991-F1004 HydrophobicContact CB-CD1 3.58Å; N991-F1004 HydrophobicContact CB-CD2 4.47Å; N991-F1004 HydrophobicContact CB-CE1 3.8Å; N991-F1004 HydrophobicContact CB-CG 3.96Å; N991-F1004 HydrophobicContact CB-CZ 4.34Å; N991-F1004 WeakPolarHBondContact ND2-CE1 3.41Å; C1000-F1004 HydrophobicContact CB-CB 4.12Å; C1000-F1004 WeakPolarHBondContact CB-O 3.27Å; M1001-F1004 HydrophobicContact CB-CD2 4.17Å; M1001-F1004 WeakPolarHBondContact O-CB 3.13Å; M1001-F1004 PolarHBondContact O-N 3.45Å; F1004-C1013 HydrophobicContact CB-CB 4.35Å; F1004-K1014 CarbonylContact C-O 3.46Å; F1004-K1014 WeakPolarHBondContact CA-O 3.39Å; F1004-K1014 WeakPolarHBondContact CB-O 3.36Å; F1004-K1014 VanDerWaalsContact CD1-C 3.44Å; F1004-K1015 HydrophobicContact CD1-CB 4.07Å; F1004-K1015 VanDerWaalsContact CD1-N 3.35Å; F1004-K1015 HydrophobicContact CE1-CB 3.8Å; F1004-K1015 HydrophobicContact CE1-CG 4.49Å; F1004-K1015 HydrophobicContact CZ-CB 4.24Å; F1004-K1015 HydrophobicContact CZ-CG 4.47Å
1005Y86.9Confident82.7Confident58 Ų5866.3 Ų66.323%0.22733%0.326CS..EExtended strand (participates in β ladder)trans-136153-179.882.4-77.6000113.5C1013 K1014 C1016 D1031 R1032 S1034 G1035Y1005-C1013 CarbonylContact O-C 3.54Å; Y1005-C1013 VanDerWaalsContact O-CA 3.32Å; Y1005-C1013 WeakPolarHBondContact O-CA 3.39Å; Y1005-K1014 HydrophobicContact CD1-CB 4.25Å; Y1005-K1014 WeakPolarHBondContact CD1-O 3.34Å; Y1005-K1014 HydrophobicContact CE1-CB 3.9Å; Y1005-K1014 PolarHBondContact N-O 3.46Å; Y1005-K1014 PolarHBondContact O-N 2.89Å; Y1005-C1016 VanDerWaalsContact CD1-SG 3.59Å; Y1005-D1031 WeakPolarHBondContact CB-O 3.16Å; Y1005-R1032 VanDerWaalsContact CA-O 3.25Å; Y1005-R1032 WeakPolarHBondContact CA-O 3.39Å; Y1005-S1034 VanDerWaalsContact CD2-C 3.44Å; Y1005-S1034 WeakPolarHBondContact CD2-O 3.49Å; Y1005-S1034 WeakPolarHBondContact CE2-O 3.49Å; Y1005-G1035 VanDerWaalsContact CD2-N 3.29Å
1006G84.3Confident82.8Confident18 Ų1861.6 Ų61.619%0.18631%0.31CS..SBendtrans139.5-159.2176.400000111.2R1032G1006-R1032 PolarHBondContact N-O 2.87Å
1007D81.9Confident82.8Confident67 Ų6762 Ų6236%0.35832%0.318SS..  trans-101.9114.2171.5168.429.1000110.3R1009 T1010 Q1011 S1012D1007-R1009 VanDerWaalsContact C-N 3.27Å; D1007-R1009 PolarHBondContact O-N 3.39Å; D1007-R1009 WeakPolarHBondContact OD1-CB 3.5Å; D1007-R1009 PolarHBondContact OD1-N 3.15Å; D1007-T1010 WeakPolarHBondContact CB-OG1 3.12Å; D1007-T1010 VanDerWaalsContact CG-OG1 3.23Å; D1007-T1010 PolarHBondContact O-N 3.48Å; D1007-T1010 PolarHBondContact O-OG1 2.87Å; D1007-T1010 WeakPolarHBondContact OD2-CB 3.19Å; D1007-T1010 WeakPolarHBondContact OD2-CG2 3.48Å; D1007-T1010 PolarHBondContact OD2-N 2.76Å; D1007-T1010 PolarHBondContact OD2-OG1 3.49Å; D1007-Q1011 PolarHBondContact O-N 2.93Å; D1007-S1012 WeakPolarHBondContact CA-OG 3.33Å; D1007-S1012 PolarHBondContact N-OG 2.69Å; D1007-S1012 PolarHBondContact O-N 2.81Å; D1007-S1012 PolarHBondContact O-OG 3.2Å
1008A78.2Confident82.7Confident3 Ų364.4 Ų64.43%0.02533%0.334CS..G310 helixtrans-62.9-30.7177.900000112.8N969 T992 E998 T1010 Q1011N969-A1008 PolarHBondContact ND2-O 3.47Å; T992-A1008 HydrophobicContact CG2-CB 3.62Å; E998-A1008 WeakPolarHBondContact O-CB 3.48Å; A1008-T1010 VanDerWaalsContact C-N 3.26Å; A1008-T1010 PolarHBondContact O-N 3.37Å; A1008-Q1011 PolarHBondContact O-N 3.41Å
1009R75.2Confident82.6Confident177 Ų17763.6 Ų63.667%0.66833%0.332SS*.G310 helixtrans-71.2-23.4-179.8-60.5176.3173.4171.3-0.2112.7D1007D1007-R1009 VanDerWaalsContact C-N 3.27Å; D1007-R1009 PolarHBondContact O-N 3.39Å; D1007-R1009 WeakPolarHBondContact OD1-CB 3.5Å; D1007-R1009 PolarHBondContact OD1-N 3.15Å
1010T80.4Confident82.5Confident93 Ų9367 Ų6757%0.57135%0.348SS*.G310 helixtrans-104.913.2175.251.70000113.1D1007 A1008 S1012D1007-T1010 WeakPolarHBondContact CB-OG1 3.12Å; D1007-T1010 VanDerWaalsContact CG-OG1 3.23Å; D1007-T1010 PolarHBondContact O-N 3.48Å; D1007-T1010 PolarHBondContact O-OG1 2.87Å; D1007-T1010 WeakPolarHBondContact OD2-CB 3.19Å; D1007-T1010 WeakPolarHBondContact OD2-CG2 3.48Å; D1007-T1010 PolarHBondContact OD2-N 2.76Å; D1007-T1010 PolarHBondContact OD2-OG1 3.49Å; A1008-T1010 VanDerWaalsContact C-N 3.26Å; A1008-T1010 PolarHBondContact O-N 3.37Å; T1010-S1012 PolarHBondContact O-N 2.95Å; T1010-S1012 PolarHBondContact OG1-OG 3.31Å
1011Q79.6Confident82.3Confident89 Ų8969.9 Ų69.942%0.41636%0.363SS..THydrogen-bonded Turntrans58.128177.8-58.2171.7-1.900113.3N969 Y990 D1007 A1008N969-Q1011 WeakPolarHBondContact OD1-CG 3.39Å; Y990-Q1011 HydrophobicContact CD1-CB 4.27Å; Y990-Q1011 HydrophobicContact CD1-CG 4.3Å; Y990-Q1011 HydrophobicContact CD2-CB 4.31Å; Y990-Q1011 VanDerWaalsContact CD2-CD 3.43Å; Y990-Q1011 HydrophobicContact CD2-CG 3.55Å; Y990-Q1011 HydrophobicContact CE2-CG 4.04Å; Y990-Q1011 HydrophobicContact CG-CB 3.93Å; Y990-Q1011 HydrophobicContact CG-CG 3.7Å; D1007-Q1011 PolarHBondContact O-N 2.93Å; A1008-Q1011 PolarHBondContact O-N 3.41Å
1012S82.6Confident82.4Confident46 Ų4666.5 Ų66.532%0.32235%0.347SS..  trans-95.19.5-170.264.40000114.8D1007 T1010 K1014D1007-S1012 WeakPolarHBondContact CA-OG 3.33Å; D1007-S1012 PolarHBondContact N-OG 2.69Å; D1007-S1012 PolarHBondContact O-N 2.81Å; D1007-S1012 PolarHBondContact O-OG 3.2Å; T1010-S1012 PolarHBondContact O-N 2.95Å; T1010-S1012 PolarHBondContact OG1-OG 3.31Å; S1012-K1014 PolarHBondContact O-N 3.39Å
1013C86.6Confident82.6Confident8 Ų863.3 Ų63.35%0.05433%0.326CS..  trans-62.7100.9-177.8-63.90000113.2N991 C1000 F1004 Y1005N991-C1013 HydrophobicContact CB-CB 3.92Å; N991-C1013 PolarHBondContact ND2-O 3.28Å; N991-C1013 VanDerWaalsContact ND2-O 3.17Å; C1000-C1013 WeakPolarHBondContact CA-SG 3.39Å; C1000-C1013 HydrophobicContact CB-CB 3.81Å; C1000-C1013 WeakPolarHBondContact CB-SG 3.4Å; C1000-C1013 VanDerWaalsContact SG-CA 3.57Å; C1000-C1013 WeakPolarHBondContact SG-CB 3.48Å; C1000-C1013 CovalentContact SG-SG 2.04Å; C1000-C1013 PolarHBondContact SG-SG 3.13Å; F1004-C1013 HydrophobicContact CB-CB 4.35Å; Y1005-C1013 CarbonylContact O-C 3.54Å; Y1005-C1013 VanDerWaalsContact O-CA 3.32Å; Y1005-C1013 WeakPolarHBondContact O-CA 3.39Å
1014K83.6Confident82.8Confident136 Ų13664.9 Ų64.959%0.59133%0.329SS*.EExtended strand (participates in β ladder)trans-97.2148.2177.4-70.2170.8-173.3173.40111.1F1004 Y1005 S1012F1004-K1014 CarbonylContact C-O 3.46Å; F1004-K1014 WeakPolarHBondContact CA-O 3.39Å; F1004-K1014 WeakPolarHBondContact CB-O 3.36Å; F1004-K1014 VanDerWaalsContact CD1-C 3.44Å; Y1005-K1014 HydrophobicContact CD1-CB 4.25Å; Y1005-K1014 WeakPolarHBondContact CD1-O 3.34Å; Y1005-K1014 HydrophobicContact CE1-CB 3.9Å; Y1005-K1014 PolarHBondContact N-O 3.46Å; Y1005-K1014 PolarHBondContact O-N 2.89Å; S1012-K1014 PolarHBondContact O-N 3.39Å
1015K82.9Confident82.1Confident154 Ų15469.5 Ų69.567%0.6736%0.355SS*.EExtended strand (participates in β ladder)trans-67.5134.9174.8-172.5-177.4176.3-176.90110.1F1004F1004-K1015 HydrophobicContact CD1-CB 4.07Å; F1004-K1015 VanDerWaalsContact CD1-N 3.35Å; F1004-K1015 HydrophobicContact CE1-CB 3.8Å; F1004-K1015 HydrophobicContact CE1-CG 4.49Å; F1004-K1015 HydrophobicContact CZ-CB 4.24Å; F1004-K1015 HydrophobicContact CZ-CG 4.47Å
1016C83.4Confident81.5Confident18 Ų1872.8 Ų72.812%0.12238%0.381CS..PPolyproline II helixtrans-72.2149.1174.4-62.30000112.4G1003 Y1005 C1030G1003-C1016 PolarHBondContact O-N 2.86Å; Y1005-C1016 VanDerWaalsContact CD1-SG 3.59Å; C1016-C1030 HydrophobicContact CB-CB 3.57Å; C1016-C1030 WeakPolarHBondContact CB-SG 3.45Å; C1016-C1030 WeakPolarHBondContact SG-CB 3.26Å; C1016-C1030 CovalentContact SG-SG 2.01Å; C1016-C1030 PolarHBondContact SG-SG 3.16Å
1017V83.9Confident80.9Confident87 Ų8775 Ų7553%0.52740%0.397SS..  trans-123.5116.5175.4-176.10000106.3C1037 E1047V1017-C1037 PolarHBondContact O-SG 3.23Å; V1017-E1047 HydrophobicContact CB-CG 4.39Å; V1017-E1047 HydrophobicContact CG1-CG 4.48Å; V1017-E1047 WeakPolarHBondContact CG1-OE2 3.46Å; V1017-E1047 WeakPolarHBondContact O-CA 3.33Å; V1017-E1047 VanDerWaalsContact O-CB 3.3Å; V1017-E1047 WeakPolarHBondContact O-CB 3.37Å; V1017-E1047 VanDerWaalsContact O-CG 3.28Å; V1017-E1047 WeakPolarHBondContact O-CG 3.4Å
1018C84Confident80.2Confident50 Ų5073.5 Ų73.534%0.33840%0.398SS..  trans-125.2130.3-178-54.50000109.1I1020 T1023 C1037C1018-I1020 PolarHBondContact O-N 3.31Å; C1018-T1023 HydrophobicContact CB-CG2 4.01Å; C1018-T1023 WeakPolarHBondContact CB-OG1 3.25Å; C1018-C1037 WeakPolarHBondContact CA-SG 3.3Å; C1018-C1037 HydrophobicContact CB-CB 3.71Å; C1018-C1037 WeakPolarHBondContact CB-SG 3.27Å; C1018-C1037 WeakPolarHBondContact SG-CB 3.5Å; C1018-C1037 CovalentContact SG-SG 2.03Å; C1018-C1037 PolarHBondContact SG-SG 2.95Å
1019N83.2Confident80Confident47 Ų4777.3 Ų77.325%0.25142%0.422SS..  trans-75.6115.8176.3-176.4-19000109.4L1021 G1022 T1023 E1047 D1049N1019-L1021 PolarHBondContact O-N 2.85Å; N1019-L1021 PolarHBondContact OD1-N 3.2Å; N1019-L1021 VanDerWaalsContact OD1-N 3.08Å; N1019-G1022 PolarHBondContact O-N 3.29Å; N1019-G1022 VanDerWaalsContact O-N 3.09Å; N1019-T1023 WeakPolarHBondContact O-CB 3.46Å; N1019-T1023 PolarHBondContact O-N 2.96Å; N1019-T1023 PolarHBondContact O-OG1 3.25Å; N1019-E1047 VanDerWaalsContact CB-O 3.24Å; N1019-E1047 WeakPolarHBondContact CB-O 3.45Å; N1019-E1047 PolarHBondContact N-O 3.41Å; N1019-D1049 HydrophobicContact CB-CB 4.12Å
1020I80.6Confident80.4Confident136 Ų13669.2 Ų69.270%0.69739%0.393SS*.THydrogen-bonded Turntrans-60.2-18.1-176.162.7171.9000114.6C1018C1018-I1020 PolarHBondContact O-N 3.31Å
1021L82.7Confident80.5Confident64 Ų6468.4 Ų68.434%0.33539%0.385SS..THydrogen-bonded Turntrans-83.9-26.9179.3-60.5179.2000112.5N1019 I1058N1019-L1021 PolarHBondContact O-N 2.85Å; N1019-L1021 PolarHBondContact OD1-N 3.2Å; N1019-L1021 VanDerWaalsContact OD1-N 3.08Å; L1021-I1058 HydrophobicContact CB-CG1 4.41Å; L1021-I1058 VanDerWaalsContact O-O 3.13Å
1022G83.6Confident80.5Confident0 Ų068.9 Ų68.90%038%0.383CS..THydrogen-bonded Turntrans-115.7-2.8-174.500000115.1N1019 C1039 L1040 C1048N1019-G1022 PolarHBondContact O-N 3.29Å; N1019-G1022 VanDerWaalsContact O-N 3.09Å; G1022-C1039 CarbonylContact O-C 3.27Å; G1022-C1039 WeakPolarHBondContact O-CA 3.48Å; G1022-L1040 PolarHBondContact O-N 2.72Å; G1022-C1048 WeakPolarHBondContact CA-O 3.42Å; G1022-C1048 WeakPolarHBondContact O-CB 3.32Å
1023T84.9Confident80.2Confident11 Ų1172 Ų727%0.06740%0.4CS..BIsolated β-bridgetrans-103.3132.3-178.7-51.40000111.3C1018 N1019 I1025 C1037 P1038C1018-T1023 HydrophobicContact CB-CG2 4.01Å; C1018-T1023 WeakPolarHBondContact CB-OG1 3.25Å; N1019-T1023 WeakPolarHBondContact O-CB 3.46Å; N1019-T1023 PolarHBondContact O-N 2.96Å; N1019-T1023 PolarHBondContact O-OG1 3.25Å; T1023-I1025 PolarHBondContact O-N 3.2Å; T1023-I1025 VanDerWaalsContact O-N 3.09Å; T1023-C1037 HydrophobicContact CG2-CB 4.11Å; T1023-P1038 CarbonylContact C-O 3.51Å; T1023-P1038 WeakPolarHBondContact CA-O 3.34Å; T1023-P1038 HydrophobicContact CG2-CG 3.89Å; T1023-P1038 WeakPolarHBondContact CG2-O 3.43Å
1024D82.4Confident80Confident53 Ų5374.6 Ų74.628%0.28342%0.418SS..  trans-73.197.6167.5-176-8.8000110.1T1026 A1027 P1038 L1040D1024-T1026 PolarHBondContact O-N 3.18Å; D1024-T1026 VanDerWaalsContact O-N 3.15Å; D1024-T1026 WeakPolarHBondContact OD1-CA 3.34Å; D1024-T1026 WeakPolarHBondContact OD1-CB 3.43Å; D1024-T1026 PolarHBondContact OD1-N 3.35Å; D1024-T1026 PolarHBondContact OD1-OG1 3.28Å; D1024-A1027 HydrophobicContact CB-CB 4.1Å; D1024-A1027 PolarHBondContact O-N 3Å; D1024-A1027 PolarHBondContact OD1-N 3.2Å; D1024-P1038 PolarHBondContact N-O 2.72Å; D1024-L1040 HydrophobicContact CB-CD2 3.95Å
1025I72.7Confident79.9Confident145 Ų14568.2 Ų68.274%0.74439%0.391SS*.THydrogen-bonded Turntrans-63.3-15.8178.8-0.5174.2000113.5T1023T1023-I1025 PolarHBondContact O-N 3.2Å; T1023-I1025 VanDerWaalsContact O-N 3.09Å
1026T74.3Confident80.1Confident127 Ų12764.4 Ų64.478%0.77938%0.375SS*.THydrogen-bonded Turntrans-89.2-23.2179.971.80000113D1024 G1028D1024-T1026 PolarHBondContact O-N 3.18Å; D1024-T1026 VanDerWaalsContact O-N 3.15Å; D1024-T1026 WeakPolarHBondContact OD1-CA 3.34Å; D1024-T1026 WeakPolarHBondContact OD1-CB 3.43Å; D1024-T1026 PolarHBondContact OD1-N 3.35Å; D1024-T1026 PolarHBondContact OD1-OG1 3.28Å; T1026-G1028 PolarHBondContact O-N 3.17Å
1027A71.6Confident80.2Confident64 Ų6463.7 Ų63.753%0.52937%0.37SS..SBendtrans-72.1-10.8178.800000114.3D1024 P1038D1024-A1027 HydrophobicContact CB-CB 4.1Å; D1024-A1027 PolarHBondContact O-N 3Å; D1024-A1027 PolarHBondContact OD1-N 3.2Å; A1027-P1038 HydrophobicContact CB-CB 3.74Å; A1027-P1038 HydrophobicContact CB-CG 4.02Å
1028G67.7Low80.4Confident35 Ų3561.2 Ų61.236%0.36136%0.356SS..  trans106.8-169.8175.800000114.2T1026T1026-G1028 PolarHBondContact O-N 3.17Å
1029P74.4Confident80.5Confident84 Ų8460.9 Ų60.955%0.54535%0.354SS..SBendtrans-69.6163.7175.930.9-34.8000111.6P1002P1002-P1029 HydrophobicContact CB-CG 4.37Å
1030C83.7Confident80.6Confident6 Ų659.9 Ų59.94%0.04135%0.348CS..  trans-45.9156.6168.859.50000114.3C1016 R1032 Q1036C1016-C1030 HydrophobicContact CB-CB 3.57Å; C1016-C1030 WeakPolarHBondContact CB-SG 3.45Å; C1016-C1030 WeakPolarHBondContact SG-CB 3.26Å; C1016-C1030 CovalentContact SG-SG 2.01Å; C1016-C1030 PolarHBondContact SG-SG 3.16Å; C1030-R1032 PolarHBondContact O-N 3.42Å; C1030-Q1036 WeakPolarHBondContact CA-O 3.01Å
1031D81.4Confident80.8Confident77 Ų7757.6 Ų57.641%0.41234%0.342SS..  trans-62134.1171.4173.4-110.2000112.2Y1005 V1033 S1034 G1035 Q1036Y1005-D1031 WeakPolarHBondContact CB-O 3.16Å; D1031-V1033 VanDerWaalsContact C-N 3.27Å; D1031-V1033 PolarHBondContact O-N 2.92Å; D1031-V1033 PolarHBondContact OD1-N 2.79Å; D1031-S1034 WeakPolarHBondContact CB-OG 3.29Å; D1031-S1034 WeakPolarHBondContact OD1-CB 3.45Å; D1031-S1034 PolarHBondContact OD1-N 2.94Å; D1031-S1034 PolarHBondContact OD1-OG 3.17Å; D1031-G1035 WeakPolarHBondContact O-CA 3.26Å; D1031-G1035 PolarHBondContact O-N 3.05Å; D1031-Q1036 PolarHBondContact N-O 2.74Å
1032R81Confident81Confident99 Ų9957.8 Ų57.837%0.37434%0.344SS..THydrogen-bonded Turntrans-73.5-12-170.9-62.3-177.3-172.6-155.914.7114.3C1000 Y1005 G1006 C1030C1000-R1032 WeakPolarHBondContact O-CD 3.48Å; C1000-R1032 PolarHBondContact O-NH1 3.32Å; Y1005-R1032 VanDerWaalsContact CA-O 3.25Å; Y1005-R1032 WeakPolarHBondContact CA-O 3.39Å; G1006-R1032 PolarHBondContact N-O 2.87Å; C1030-R1032 PolarHBondContact O-N 3.42Å
1033V76.2Confident81.2Confident112 Ų11258.2 Ų58.268%0.67935%0.346SS*.THydrogen-bonded Turntrans-108.2-50.5-178.1-177.50000110.7D1031D1031-V1033 VanDerWaalsContact C-N 3.27Å; D1031-V1033 PolarHBondContact O-N 2.92Å; D1031-V1033 PolarHBondContact OD1-N 2.79Å
1034S81.9Confident81.3Confident61 Ų6160.9 Ų60.943%0.42736%0.362SS..THydrogen-bonded Turntrans-86.5-28.2-176.364.10000114.1Y1005 D1031 Q1036Y1005-S1034 VanDerWaalsContact CD2-C 3.44Å; Y1005-S1034 WeakPolarHBondContact CD2-O 3.49Å; Y1005-S1034 WeakPolarHBondContact CE2-O 3.49Å; D1031-S1034 WeakPolarHBondContact CB-OG 3.29Å; D1031-S1034 WeakPolarHBondContact OD1-CB 3.45Å; D1031-S1034 PolarHBondContact OD1-N 2.94Å; D1031-S1034 PolarHBondContact OD1-OG 3.17Å; S1034-Q1036 VanDerWaalsContact C-N 3.27Å; S1034-Q1036 PolarHBondContact OG-N 3.22Å
1035G82.6Confident81.2Confident2 Ų259.6 Ų59.62%0.02136%0.362CS..  trans80.92.5-172.800000114.8Y1005 D1031 C1037Y1005-G1035 VanDerWaalsContact CD2-N 3.29Å; D1031-G1035 WeakPolarHBondContact O-CA 3.26Å; D1031-G1035 PolarHBondContact O-N 3.05Å; G1035-C1037 PolarHBondContact O-N 3.19Å
1036Q85.6Confident81.6Confident75 Ų7556.4 Ų56.435%0.3535%0.346SS..  trans-61.5121.7178.9-176.257.157.400110.4C1030 D1031 S1034 C1039 G1045 L1046C1030-Q1036 WeakPolarHBondContact CA-O 3.01Å; D1031-Q1036 PolarHBondContact N-O 2.74Å; S1034-Q1036 VanDerWaalsContact C-N 3.27Å; S1034-Q1036 PolarHBondContact OG-N 3.22Å; Q1036-C1039 PolarHBondContact NE2-SG 2.96Å; Q1036-G1045 PolarHBondContact NE2-O 2.99Å; Q1036-L1046 HydrophobicContact CB-CD1 4.43Å
1037C86.5Confident82.1Confident2 Ų254.2 Ų54.21%0.01433%0.326CS..  trans-73.1148170.1-61.50000110.3V1017 C1018 T1023 G1035 C1039 L1046 C1048V1017-C1037 PolarHBondContact O-SG 3.23Å; C1018-C1037 WeakPolarHBondContact CA-SG 3.3Å; C1018-C1037 HydrophobicContact CB-CB 3.71Å; C1018-C1037 WeakPolarHBondContact CB-SG 3.27Å; C1018-C1037 WeakPolarHBondContact SG-CB 3.5Å; C1018-C1037 CovalentContact SG-SG 2.03Å; C1018-C1037 PolarHBondContact SG-SG 2.95Å; T1023-C1037 HydrophobicContact CG2-CB 4.11Å; G1035-C1037 PolarHBondContact O-N 3.19Å; C1037-C1039 PolarHBondContact O-N 3.37Å; C1037-C1039 PolarHBondContact O-SG 2.92Å; C1037-L1046 WeakPolarHBondContact CB-O 3.4Å; C1037-L1046 PolarHBondContact N-O 2.64Å; C1037-L1046 PolarHBondContact SG-O 2.96Å; C1037-L1046 VanDerWaalsContact SG-O 3.4Å; C1037-C1048 VanDerWaalsContact CB-SG 3.53Å; C1037-C1048 PolarHBondContact O-SG 3.4Å
1038P87Confident82.9Confident35 Ų3551.1 Ų51.123%0.22730%0.301CS..  trans-71.899.7177.227.7-33.2000110.3T1023 D1024 A1027T1023-P1038 CarbonylContact C-O 3.51Å; T1023-P1038 WeakPolarHBondContact CA-O 3.34Å; T1023-P1038 HydrophobicContact CG2-CG 3.89Å; T1023-P1038 WeakPolarHBondContact CG2-O 3.43Å; D1024-P1038 PolarHBondContact N-O 2.72Å; A1027-P1038 HydrophobicContact CB-CB 3.74Å; A1027-P1038 HydrophobicContact CB-CG 4.02Å
1039C86.4Confident83.8Confident44 Ų4452.9 Ų52.930%0.29730%0.302SS..BIsolated β-bridgetrans-79.4144.3-174.9-53.90000113.1G1022 Q1036 C1037 V1043 C1048G1022-C1039 CarbonylContact O-C 3.27Å; G1022-C1039 WeakPolarHBondContact O-CA 3.48Å; Q1036-C1039 PolarHBondContact NE2-SG 2.96Å; C1037-C1039 PolarHBondContact O-N 3.37Å; C1037-C1039 PolarHBondContact O-SG 2.92Å; C1039-V1043 HydrophobicContact CB-CB 4.2Å; C1039-V1043 HydrophobicContact CB-CG1 4.47Å; C1039-C1048 WeakPolarHBondContact CA-SG 3.15Å; C1039-C1048 HydrophobicContact CB-CB 3.74Å; C1039-C1048 WeakPolarHBondContact CB-SG 3.15Å; C1039-C1048 PolarHBondContact N-SG 2.8Å; C1039-C1048 VanDerWaalsContact N-SG 3.37Å; C1039-C1048 VanDerWaalsContact SG-CA 3.54Å; C1039-C1048 WeakPolarHBondContact SG-CB 3.28Å; C1039-C1048 CovalentContact SG-SG 2.04Å; C1039-C1048 PolarHBondContact SG-SG 2.98Å
1040L85.6Confident84.4Confident26 Ų2651.3 Ų51.314%0.13629%0.291CS..PPolyproline II helixtrans-65.4159.4168.4-68.7168.5000110.9G1022 D1024 N1042 V1043 G1061G1022-L1040 PolarHBondContact O-N 2.72Å; D1024-L1040 HydrophobicContact CB-CD2 3.95Å; L1040-N1042 PolarHBondContact O-N 3.43Å; L1040-V1043 HydrophobicContact CB-CG2 4.16Å; L1040-V1043 WeakPolarHBondContact O-CB 3.3Å; L1040-V1043 PolarHBondContact O-N 3.26Å; L1040-V1043 VanDerWaalsContact O-N 3.08Å; L1040-G1061 WeakPolarHBondContact CD1-O 3.24Å
1041P85.4Confident84.5Confident87 Ų8751.4 Ų51.457%0.56529%0.292SS*.THydrogen-bonded Turntrans-51.7134.6-178.2-28.836.3000113.5V1043 G1063 C1064P1041-V1043 PolarHBondContact O-N 2.03Å; P1041-G1063 CarbonylContact O-C 3.53Å; P1041-G1063 WeakPolarHBondContact O-CA 3.33Å; P1041-C1064 PolarHBondContact O-N 3.23Å
1042N86.9Confident84.7Confident68 Ų6850.4 Ų50.436%0.36429%0.286SS..THydrogen-bonded Turntrans62.114.9-178.4-50-43.7000116L1040 I1052 C1064L1040-N1042 PolarHBondContact O-N 3.43Å; N1042-I1052 HydrophobicContact CB-CD1 3.86Å; N1042-I1052 HydrophobicContact CB-CG1 4.01Å; N1042-I1052 PolarHBondContact O-N 3.2Å; N1042-C1064 HydrophobicContact CB-CB 3.96Å; N1042-C1064 WeakPolarHBondContact CB-O 3.37Å; N1042-C1064 PolarHBondContact ND2-O 3.02Å
1043V87.9Confident84.8Confident10 Ų1049 Ų496%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-100.1142.3169-174.60000109.8C1039 L1040 P1041 C1048 T1050 I1058C1039-V1043 HydrophobicContact CB-CB 4.2Å; C1039-V1043 HydrophobicContact CB-CG1 4.47Å; L1040-V1043 HydrophobicContact CB-CG2 4.16Å; L1040-V1043 WeakPolarHBondContact O-CB 3.3Å; L1040-V1043 PolarHBondContact O-N 3.26Å; L1040-V1043 VanDerWaalsContact O-N 3.08Å; P1041-V1043 PolarHBondContact O-N 2.03Å; V1043-C1048 VanDerWaalsContact CG1-C 3.48Å; V1043-C1048 HydrophobicContact CG1-CB 3.87Å; V1043-C1048 VanDerWaalsContact CG1-O 3.31Å; V1043-C1048 WeakPolarHBondContact CG1-O 3.35Å; V1043-T1050 WeakPolarHBondContact CA-O 3.4Å; V1043-T1050 WeakPolarHBondContact CG1-O 3.27Å; V1043-I1058 HydrophobicContact CG1-CD1 4.16Å; V1043-I1058 HydrophobicContact CG2-CG1 4.5Å
1044V85.9Confident85.1Confident66 Ų6647.1 Ų47.140%0.428%0.282SS..EExtended strand (participates in β ladder)trans-135.4177.1177.5-76.40000111.4C1048 D1049 T1050 I1052V1044-C1048 CarbonylContact O-C 3.25Å; V1044-C1048 WeakPolarHBondContact O-CA 3.17Å; V1044-D1049 PolarHBondContact O-N 2.6Å; V1044-T1050 PolarHBondContact N-O 2.67Å; V1044-T1050 PolarHBondContact O-N 2.97Å; V1044-T1050 VanDerWaalsContact O-N 3.17Å; V1044-T1050 PolarHBondContact O-OG1 3.4Å; V1044-I1052 HydrophobicContact CB-CG2 4.15Å; V1044-I1052 HydrophobicContact CG1-CG2 3.4Å; V1044-I1052 VanDerWaalsContact CG1-CG2 3.4Å; V1044-I1052 HydrophobicContact CG2-CB 4.49Å; V1044-I1052 HydrophobicContact CG2-CG2 3.7Å
1045G80.5Confident85.5Confident26 Ų2645.7 Ų45.727%0.26827%0.269SS..SBendtrans102.3152.7-171.300000111.1Q1036 E1047 C1048Q1036-G1045 PolarHBondContact NE2-O 2.99Å; G1045-E1047 PolarHBondContact O-N 3.18Å; G1045-C1048 PolarHBondContact O-N 2.72Å
1046L80.6Confident85.8Confident78 Ų7847.3 Ų47.341%0.40827%0.274SS..THydrogen-bonded Turntrans-60.3-36.8177.3-166.577.1000110.8Q1036 C1037Q1036-L1046 HydrophobicContact CB-CD1 4.43Å; C1037-L1046 WeakPolarHBondContact CB-O 3.4Å; C1037-L1046 PolarHBondContact N-O 2.64Å; C1037-L1046 PolarHBondContact SG-O 2.96Å; C1037-L1046 VanDerWaalsContact SG-O 3.4Å
1047E86Confident85.8Confident81 Ų8146.9 Ų46.938%0.37927%0.271SS..THydrogen-bonded Turntrans-90.51.9177.3-45.3-163.7169.900113V1017 N1019 G1045 D1049V1017-E1047 HydrophobicContact CB-CG 4.39Å; V1017-E1047 HydrophobicContact CG1-CG 4.48Å; V1017-E1047 WeakPolarHBondContact CG1-OE2 3.46Å; V1017-E1047 WeakPolarHBondContact O-CA 3.33Å; V1017-E1047 VanDerWaalsContact O-CB 3.3Å; V1017-E1047 WeakPolarHBondContact O-CB 3.37Å; V1017-E1047 VanDerWaalsContact O-CG 3.28Å; V1017-E1047 WeakPolarHBondContact O-CG 3.4Å; N1019-E1047 VanDerWaalsContact CB-O 3.24Å; N1019-E1047 WeakPolarHBondContact CB-O 3.45Å; N1019-E1047 PolarHBondContact N-O 3.41Å; G1045-E1047 PolarHBondContact O-N 3.18Å; E1047-D1049 HydrophobicContact CB-CB 4.34Å
1048C87.9Confident85.6Confident0 Ų047 Ų470%027%0.271CS..SBendtrans54.849.3-171.6-50.10000113.5G1022 C1037 C1039 V1043 V1044 G1045G1022-C1048 WeakPolarHBondContact CA-O 3.42Å; G1022-C1048 WeakPolarHBondContact O-CB 3.32Å; C1037-C1048 VanDerWaalsContact CB-SG 3.53Å; C1037-C1048 PolarHBondContact O-SG 3.4Å; C1039-C1048 WeakPolarHBondContact CA-SG 3.15Å; C1039-C1048 HydrophobicContact CB-CB 3.74Å; C1039-C1048 WeakPolarHBondContact CB-SG 3.15Å; C1039-C1048 PolarHBondContact N-SG 2.8Å; C1039-C1048 VanDerWaalsContact N-SG 3.37Å; C1039-C1048 VanDerWaalsContact SG-CA 3.54Å; C1039-C1048 WeakPolarHBondContact SG-CB 3.28Å; C1039-C1048 CovalentContact SG-SG 2.04Å; C1039-C1048 PolarHBondContact SG-SG 2.98Å; V1043-C1048 VanDerWaalsContact CG1-C 3.48Å; V1043-C1048 HydrophobicContact CG1-CB 3.87Å; V1043-C1048 VanDerWaalsContact CG1-O 3.31Å; V1043-C1048 WeakPolarHBondContact CG1-O 3.35Å; V1044-C1048 CarbonylContact O-C 3.25Å; V1044-C1048 WeakPolarHBondContact O-CA 3.17Å; G1045-C1048 PolarHBondContact O-N 2.72Å
1049D86.1Confident85.3Confident71 Ų7148.1 Ų48.138%0.3828%0.284SS..  trans-106.9-8.7-168.165.9-41.1000115.1N1019 V1044 E1047 I1058N1019-D1049 HydrophobicContact CB-CB 4.12Å; V1044-D1049 PolarHBondContact O-N 2.6Å; E1047-D1049 HydrophobicContact CB-CB 4.34Å; D1049-I1058 WeakPolarHBondContact O-CD1 3.24Å
1050T86.9Confident84.8Confident51 Ų5148.7 Ų48.731%0.31329%0.288SS..EExtended strand (participates in β ladder)trans-130.6144.3-176.343.90000112V1043 V1044V1043-T1050 WeakPolarHBondContact CA-O 3.4Å; V1043-T1050 WeakPolarHBondContact CG1-O 3.27Å; V1044-T1050 PolarHBondContact N-O 2.67Å; V1044-T1050 PolarHBondContact O-N 2.97Å; V1044-T1050 VanDerWaalsContact O-N 3.17Å; V1044-T1050 PolarHBondContact O-OG1 3.4Å
1051C85.4Confident84.2Confident9 Ų949.5 Ų49.56%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-71.7151167.4-67.40000110.4H1055 C1064 E1090C1051-H1055 HydrophobicContact CB-CB 4.08Å; C1051-C1064 WeakPolarHBondContact CA-SG 3.45Å; C1051-C1064 HydrophobicContact CB-CB 3.74Å; C1051-C1064 WeakPolarHBondContact CB-SG 3.44Å; C1051-C1064 WeakPolarHBondContact SG-CB 3.28Å; C1051-C1064 CovalentContact SG-SG 2.04Å; C1051-C1064 PolarHBondContact SG-SG 2.89Å; C1051-E1090 HydrophobicContact CB-CG 4.46Å
1052I85.9Confident83.9Confident55 Ų5548.8 Ų48.828%0.28230%0.304SS..PPolyproline II helixtrans-61.2157.5164.964.8179.9000110.6N1042 V1044 N1054 H1055N1042-I1052 HydrophobicContact CB-CD1 3.86Å; N1042-I1052 HydrophobicContact CB-CG1 4.01Å; N1042-I1052 PolarHBondContact O-N 3.2Å; V1044-I1052 HydrophobicContact CB-CG2 4.15Å; V1044-I1052 HydrophobicContact CG1-CG2 3.4Å; V1044-I1052 VanDerWaalsContact CG1-CG2 3.4Å; V1044-I1052 HydrophobicContact CG2-CB 4.49Å; V1044-I1052 HydrophobicContact CG2-CG2 3.7Å; I1052-N1054 PolarHBondContact O-N 3.35Å; I1052-H1055 HydrophobicContact CG1-CB 4.16Å; I1052-H1055 WeakPolarHBondContact CG1-ND1 3.07Å; I1052-H1055 WeakPolarHBondContact O-CB 2.95Å; I1052-H1055 PolarHBondContact O-N 2.67Å; I1052-H1055 VanDerWaalsContact O-N 3.12Å
1053A82.7Confident83.6Confident71 Ų7145.8 Ų45.859%0.58729%0.29SS*.THydrogen-bonded Turntrans-51.7141-17900000112.5H1055A1053-H1055 VanDerWaalsContact C-N 3.29Å; A1053-H1055 PolarHBondContact O-N 3.36Å; A1053-H1055 PolarHBondContact O-ND1 2.83Å
1054N84.1Confident83.6Confident72 Ų7245.5 Ų45.539%0.38529%0.288SS..THydrogen-bonded Turntrans5930.3-174.7-46.6-65.4000114.7I1052 C1067 M1086 Q1087I1052-N1054 PolarHBondContact O-N 3.35Å; N1054-C1067 VanDerWaalsContact O-CB 3.31Å; N1054-C1067 WeakPolarHBondContact O-CB 3.45Å; N1054-C1067 PolarHBondContact O-N 3.43Å; N1054-C1067 PolarHBondContact O-SG 2.01Å; N1054-C1067 VanDerWaalsContact O-SG 3.39Å; N1054-M1086 VanDerWaalsContact OD1-CB 3.23Å; N1054-M1086 WeakPolarHBondContact OD1-CB 2.96Å; N1054-M1086 PolarHBondContact OD1-O 3.44Å; N1054-Q1087 PolarHBondContact OD1-N 3.19Å
1055H88.8Confident83.6Confident31 Ų3146.4 Ų46.414%0.14429%0.288CS..EExtended strand (participates in β ladder)trans-127.2162171.2-6662.9000112.4C1051 I1052 A1053 C1064 E1065C1051-H1055 HydrophobicContact CB-CB 4.08Å; I1052-H1055 HydrophobicContact CG1-CB 4.16Å; I1052-H1055 WeakPolarHBondContact CG1-ND1 3.07Å; I1052-H1055 WeakPolarHBondContact O-CB 2.95Å; I1052-H1055 PolarHBondContact O-N 2.67Å; I1052-H1055 VanDerWaalsContact O-N 3.12Å; A1053-H1055 VanDerWaalsContact C-N 3.29Å; A1053-H1055 PolarHBondContact O-N 3.36Å; A1053-H1055 PolarHBondContact O-ND1 2.83Å; H1055-C1064 HydrophobicContact CB-CB 3.86Å; H1055-E1065 CarbonylContact C-O 3.41Å; H1055-E1065 WeakPolarHBondContact CA-O 3.24Å; H1055-E1065 WeakPolarHBondContact CB-O 3.5Å; H1055-E1065 VanDerWaalsContact CD2-C 3.49Å
1056W89.8Confident83.8Confident35 Ų3548 Ų4813%0.13329%0.294CS..EExtended strand (participates in β ladder)trans-146.1-173.5-178.670.2-68.5000111.3C1064 E1065 P1066 N1089 E1090 G1093W1056-C1064 CarbonylContact O-C 3.33Å; W1056-C1064 WeakPolarHBondContact O-CA 3.48Å; W1056-C1064 WeakPolarHBondContact O-CB 3.3Å; W1056-E1065 PolarHBondContact N-O 3.24Å; W1056-E1065 PolarHBondContact O-N 3.49Å; W1056-P1066 PolarHBondContact NE1-O 2.86Å; W1056-N1089 WeakPolarHBondContact CB-O 3.45Å; W1056-E1090 CarbonylContact C-O 3.54Å; W1056-E1090 WeakPolarHBondContact CA-O 3.32Å; W1056-G1093 VanDerWaalsContact CG-CA 3.42Å
1057K84.6Confident84.1Confident67 Ų6744.3 Ų44.329%0.29127%0.274SS..  trans78.924.6172.1-146.8-171.9-178.5175.90115.2A1059 S1060 E1065 E1090K1057-A1059 PolarHBondContact O-N 3.34Å; K1057-A1059 VanDerWaalsContact O-N 3.1Å; K1057-S1060 VanDerWaalsContact O-CB 3.25Å; K1057-S1060 WeakPolarHBondContact O-CB 3.3Å; K1057-S1060 PolarHBondContact O-N 3Å; K1057-S1060 PolarHBondContact O-OG 2.72Å; K1057-E1065 HydrophobicContact CD-CB 4.39Å; K1057-E1065 HydrophobicContact CD-CG 4.06Å; K1057-E1065 WeakPolarHBondContact CD-OE2 3.41Å; K1057-E1065 IonicContact NZ-OE1 3.86Å; K1057-E1065 PolarHBondContact NZ-OE1 3.04Å; K1057-E1065 IonicContact NZ-OE2 2.72Å; K1057-E1065 PolarHBondContact NZ-OE2 3Å; K1057-E1090 PolarHBondContact N-O 2.99Å
1058I83.8Confident84.1Confident4 Ų447.2 Ų47.22%0.02129%0.288CS..G310 helixtrans-53.9-32.9176.8-165.3167.1000113L1021 V1043 D1049 S1060 G1061 F1091L1021-I1058 HydrophobicContact CB-CG1 4.41Å; L1021-I1058 VanDerWaalsContact O-O 3.13Å; V1043-I1058 HydrophobicContact CG1-CD1 4.16Å; V1043-I1058 HydrophobicContact CG2-CG1 4.5Å; D1049-I1058 WeakPolarHBondContact O-CD1 3.24Å; I1058-S1060 PolarHBondContact O-N 3.47Å; I1058-G1061 PolarHBondContact O-N 3.46Å; I1058-F1091 HydrophobicContact CG2-CD1 4.15Å; I1058-F1091 HydrophobicContact CG2-CE1 3.91Å
1059A80.4Confident84Confident59 Ų5947.6 Ų47.649%0.48829%0.29SS..G310 helixtrans-68.40.317700000115.1K1057 F1091K1057-A1059 PolarHBondContact O-N 3.34Å; K1057-A1059 VanDerWaalsContact O-N 3.1Å; A1059-F1091 HydrophobicContact CB-CD1 4.36Å
1060S76.1Confident83.8Confident55 Ų5545 Ų4539%0.38528%0.276SS..G310 helixtrans-72.4-25.8175.364.20000114.1K1057 I1058 A1062 G1063K1057-S1060 VanDerWaalsContact O-CB 3.25Å; K1057-S1060 WeakPolarHBondContact O-CB 3.3Å; K1057-S1060 PolarHBondContact O-N 3Å; K1057-S1060 PolarHBondContact O-OG 2.72Å; I1058-S1060 PolarHBondContact O-N 3.47Å; S1060-A1062 PolarHBondContact O-N 2.81Å; S1060-A1062 PolarHBondContact OG-N 2.76Å; S1060-A1062 VanDerWaalsContact OG-N 3.08Å; S1060-G1063 PolarHBondContact OG-O 2.72Å
1061G71.9Confident83.6Confident43 Ų4346 Ų4644%0.44328%0.284SS..SBendtrans68.813.5-167.400000114.3L1040 I1058L1040-G1061 WeakPolarHBondContact CD1-O 3.24Å; I1058-G1061 PolarHBondContact O-N 3.46Å
1062A79.2Confident83.4Confident72 Ų7248.9 Ų48.960%0.59530%0.301SS*.SBendtrans-121.8-1.2-179.900000113.9S1060S1060-A1062 PolarHBondContact O-N 2.81Å; S1060-A1062 PolarHBondContact OG-N 2.76Å; S1060-A1062 VanDerWaalsContact OG-N 3.08Å
1063G81Confident83.1Confident6 Ų646.3 Ų46.36%0.06229%0.288CS..  trans110.7-176.1-173.200000113P1041 S1060P1041-G1063 CarbonylContact O-C 3.53Å; P1041-G1063 WeakPolarHBondContact O-CA 3.33Å; S1060-G1063 PolarHBondContact OG-O 2.72Å
1064C88.8Confident83.3Confident4 Ų442.9 Ų42.93%0.02726%0.26CS..  trans-101.3144178.5-610000112.8P1041 N1042 C1051 H1055 W1056P1041-C1064 PolarHBondContact O-N 3.23Å; N1042-C1064 HydrophobicContact CB-CB 3.96Å; N1042-C1064 WeakPolarHBondContact CB-O 3.37Å; N1042-C1064 PolarHBondContact ND2-O 3.02Å; C1051-C1064 WeakPolarHBondContact CA-SG 3.45Å; C1051-C1064 HydrophobicContact CB-CB 3.74Å; C1051-C1064 WeakPolarHBondContact CB-SG 3.44Å; C1051-C1064 WeakPolarHBondContact SG-CB 3.28Å; C1051-C1064 CovalentContact SG-SG 2.04Å; C1051-C1064 PolarHBondContact SG-SG 2.89Å; H1055-C1064 HydrophobicContact CB-CB 3.86Å; W1056-C1064 CarbonylContact O-C 3.33Å; W1056-C1064 WeakPolarHBondContact O-CA 3.48Å; W1056-C1064 WeakPolarHBondContact O-CB 3.3Å
1065E84.9Confident83.4Confident84 Ų8443.8 Ų43.839%0.39326%0.262SS..EExtended strand (participates in β ladder)trans-105.9151.4177.2-74.4174.3-168.100111.1H1055 W1056 K1057H1055-E1065 CarbonylContact C-O 3.41Å; H1055-E1065 WeakPolarHBondContact CA-O 3.24Å; H1055-E1065 WeakPolarHBondContact CB-O 3.5Å; H1055-E1065 VanDerWaalsContact CD2-C 3.49Å; W1056-E1065 PolarHBondContact N-O 3.24Å; W1056-E1065 PolarHBondContact O-N 3.49Å; K1057-E1065 HydrophobicContact CD-CB 4.39Å; K1057-E1065 HydrophobicContact CD-CG 4.06Å; K1057-E1065 WeakPolarHBondContact CD-OE2 3.41Å; K1057-E1065 IonicContact NZ-OE1 3.86Å; K1057-E1065 PolarHBondContact NZ-OE1 3.04Å; K1057-E1065 IonicContact NZ-OE2 2.72Å; K1057-E1065 PolarHBondContact NZ-OE2 3Å
1066P85.9Confident83.1Confident60 Ų6045.5 Ų45.539%0.3928%0.275SS..EExtended strand (participates in β ladder)trans-61.4142.9179-22.731.7000114.3W1056 Q1068 R1104W1056-P1066 PolarHBondContact NE1-O 2.86Å; P1066-Q1068 HydrophobicContact CB-CG 4.18Å; P1066-Q1068 PolarHBondContact O-N 3.37Å; P1066-R1104 PolarHBondContact O-NH2 3.36Å
1067C85.8Confident82.3Confident1 Ų146.2 Ų46.21%0.00728%0.281CS..  trans-63.2-40.5179.5-77.90000113.2N1054 C1069 C1088 R1104N1054-C1067 VanDerWaalsContact O-CB 3.31Å; N1054-C1067 WeakPolarHBondContact O-CB 3.45Å; N1054-C1067 PolarHBondContact O-N 3.43Å; N1054-C1067 PolarHBondContact O-SG 2.01Å; N1054-C1067 VanDerWaalsContact O-SG 3.39Å; C1067-C1069 VanDerWaalsContact C-N 3.31Å; C1067-C1069 PolarHBondContact O-N 3.45Å; C1067-C1088 VanDerWaalsContact CA-SG 3.51Å; C1067-C1088 HydrophobicContact CB-CB 3.74Å; C1067-C1088 WeakPolarHBondContact CB-SG 3.46Å; C1067-C1088 WeakPolarHBondContact SG-CB 3.38Å; C1067-C1088 PolarHBondContact SG-N 3.15Å; C1067-C1088 CovalentContact SG-SG 2.03Å; C1067-C1088 PolarHBondContact SG-SG 3.48Å; C1067-R1104 PolarHBondContact O-NH1 2.93Å; C1067-R1104 PolarHBondContact O-NH2 3.11Å; C1067-R1104 VanDerWaalsContact O-NH2 3.17Å
1068Q85.1Confident81.8Confident142 Ų14247.7 Ų47.766%0.66430%0.297SS*.  trans58.130.5179.2-58.7176.4-19.600115.6P1066 T1105P1066-Q1068 HydrophobicContact CB-CG 4.18Å; P1066-Q1068 PolarHBondContact O-N 3.37Å; Q1068-T1105 HydrophobicContact CB-CG2 4.01Å; Q1068-T1105 VanDerWaalsContact O-CB 3.3Å; Q1068-T1105 WeakPolarHBondContact O-CB 3.46Å; Q1068-T1105 WeakPolarHBondContact O-CG2 3.39Å
1069C86.4Confident81.4Confident7 Ų755 Ų555%0.04734%0.336CS..  trans-60.2138.3176.8-51.80000112.8C1067 P1071 V1074 M1086 C1095 T1105C1067-C1069 VanDerWaalsContact C-N 3.31Å; C1067-C1069 PolarHBondContact O-N 3.45Å; C1069-P1071 WeakPolarHBondContact O-CD 3.4Å; C1069-V1074 HydrophobicContact CB-CG1 3.69Å; C1069-M1086 HydrophobicContact CB-CE 4.26Å; C1069-M1086 HydrophobicContact CB-SD 4.28Å; C1069-M1086 WeakPolarHBondContact O-CE 3.04Å; C1069-M1086 PolarHBondContact SG-O 3.26Å; C1069-C1095 WeakPolarHBondContact CA-SG 3.36Å; C1069-C1095 HydrophobicContact CB-CB 3.8Å; C1069-C1095 WeakPolarHBondContact CB-SG 3.38Å; C1069-C1095 WeakPolarHBondContact SG-CB 3.49Å; C1069-C1095 CovalentContact SG-SG 2.03Å; C1069-C1095 PolarHBondContact SG-SG 3.46Å; C1069-T1105 CarbonylContact C-O 3.49Å; C1069-T1105 WeakPolarHBondContact CA-O 3.39Å
1070D82.6Confident81.1Confident17 Ų1755.5 Ų55.59%0.09133%0.331CS..  trans-73.3114.8169.4-178.2-26.4000109T1072 G1073 V1074 T1105 R1118D1070-T1072 VanDerWaalsContact CG-OG1 3.25Å; D1070-T1072 PolarHBondContact O-N 2.88Å; D1070-T1072 VanDerWaalsContact O-N 3.09Å; D1070-T1072 WeakPolarHBondContact OD1-CA 3.43Å; D1070-T1072 WeakPolarHBondContact OD1-CB 3.34Å; D1070-T1072 PolarHBondContact OD1-N 3.08Å; D1070-T1072 PolarHBondContact OD1-OG1 2.63Å; D1070-T1072 PolarHBondContact OD2-OG1 3.46Å; D1070-G1073 PolarHBondContact O-N 3.13Å; D1070-V1074 PolarHBondContact O-N 3.33Å; D1070-V1074 VanDerWaalsContact O-N 3.1Å; D1070-T1105 PolarHBondContact N-O 3.11Å; D1070-R1118 IonicContact OD1-NH2 2.78Å; D1070-R1118 IonicContact OD2-CZ 3.73Å; D1070-R1118 IonicContact OD2-NE 3.81Å; D1070-R1118 IonicContact OD2-NH2 3.7Å; D1070-R1118 PolarHBondContact OD2-NH2 3.4Å
1071P81.6Confident80.7Confident72 Ų7260.1 Ų60.147%0.46835%0.347SS..THydrogen-bonded Turntrans-62.7-19.4-177.225.8-34.4000113.3C1069 P1084 M1086C1069-P1071 WeakPolarHBondContact O-CD 3.4Å; P1071-P1084 HydrophobicContact CB-CB 4.1Å; P1071-P1084 HydrophobicContact CB-CG 3.8Å; P1071-M1086 HydrophobicContact CB-CE 4.29Å; P1071-M1086 HydrophobicContact CB-SD 3.98Å
1072T81.8Confident80.7Confident70 Ų7065.8 Ų65.843%0.42936%0.361SS..THydrogen-bonded Turntrans-81.7-30.7173.170.90000112.4D1070 K1098 R1101D1070-T1072 VanDerWaalsContact CG-OG1 3.25Å; D1070-T1072 PolarHBondContact O-N 2.88Å; D1070-T1072 VanDerWaalsContact O-N 3.09Å; D1070-T1072 WeakPolarHBondContact OD1-CA 3.43Å; D1070-T1072 WeakPolarHBondContact OD1-CB 3.34Å; D1070-T1072 PolarHBondContact OD1-N 3.08Å; D1070-T1072 PolarHBondContact OD1-OG1 2.63Å; D1070-T1072 PolarHBondContact OD2-OG1 3.46Å; T1072-K1098 PolarHBondContact O-NZ 2.8Å; T1072-R1101 PolarHBondContact OG1-NH2 3.46Å
1073G80.7Confident80.3Confident0 Ų064.7 Ų64.70%035%0.349CS..THydrogen-bonded Turntrans-89-26-173.700000115.4D1070 K1098D1070-G1073 PolarHBondContact O-N 3.13Å; G1073-K1098 WeakPolarHBondContact O-CB 3.34Å; G1073-K1098 PolarHBondContact O-N 3.3Å
1074V86.9Confident80.2Confident0 Ų066.6 Ų66.60%036%0.36CS..BIsolated β-bridgetrans-76.3157.6175.7-65.20000113.4C1069 D1070 P1084 M1086 C1095 P1096 K1098 C1106C1069-V1074 HydrophobicContact CB-CG1 3.69Å; D1070-V1074 PolarHBondContact O-N 3.33Å; D1070-V1074 VanDerWaalsContact O-N 3.1Å; V1074-P1084 HydrophobicContact CG2-CB 3.45Å; V1074-P1084 VanDerWaalsContact CG2-CB 3.45Å; V1074-M1086 HydrophobicContact CG2-SD 4.34Å; V1074-C1095 HydrophobicContact CG1-CB 3.82Å; V1074-P1096 CarbonylContact C-O 3.42Å; V1074-P1096 VanDerWaalsContact CA-O 3.31Å; V1074-P1096 WeakPolarHBondContact CA-O 3.34Å; V1074-K1098 WeakPolarHBondContact O-CD 3.39Å; V1074-K1098 WeakPolarHBondContact O-CE 3.27Å; V1074-K1098 WeakPolarHBondContact O-CG 3.12Å; V1074-K1098 PolarHBondContact O-NZ 3.5Å; V1074-C1106 HydrophobicContact CG1-CB 4.11Å
1075Q85.4Confident80Confident91 Ų9171.5 Ų71.543%0.42538%0.379SS..PPolyproline II helixtrans-63150.5168.8-65.5172.725.300110.7R1085 P1096 C1097 K1098Q1075-R1085 PolarHBondContact O-N 3.45Å; Q1075-P1096 WeakPolarHBondContact CG-O 3.14Å; Q1075-P1096 PolarHBondContact N-O 2.79Å; Q1075-C1097 PolarHBondContact NE2-O 2.71Å; Q1075-K1098 HydrophobicContact CG-CG 4.43Å
1076T83.3Confident80Confident67 Ų6770.6 Ų70.641%0.41138%0.375SS..EExtended strand (participates in β ladder)trans-73.4155.6172.1470000110.6E1081 S1083T1076-E1081 WeakPolarHBondContact CG2-O 3.42Å; T1076-S1083 CarbonylContact C-O 3.53Å; T1076-S1083 WeakPolarHBondContact CA-O 2.93Å
1077D72.1Confident80Confident50 Ų5071.2 Ų71.227%0.26737%0.373SS..EExtended strand (participates in β ladder)trans-67130.4176.9-158.9-63.5000110.1D1079 N1080 S1083 R1085D1077-D1079 PolarHBondContact O-N 2.77Å; D1077-D1079 PolarHBondContact OD1-N 3.15Å; D1077-N1080 HydrophobicContact CB-CB 4.46Å; D1077-N1080 CarbonylContact O-C 3.5Å; D1077-N1080 PolarHBondContact O-N 3.38Å; D1077-N1080 VanDerWaalsContact O-N 3.11Å; D1077-S1083 PolarHBondContact N-O 2.65Å; D1077-R1085 HydrophobicContact CB-CG 4.07Å
1078P75Confident80Confident97 Ų9771.5 Ų71.563%0.6337%0.374SS*.THydrogen-bonded Turntrans-60.5-25.7177.225.4-35.8000113.4
1079D74.8Confident80Confident157 Ų15768 Ų6884%0.8436%0.361SS*.THydrogen-bonded Turntrans-91.8-12177.4-65.5-38.5000112.6D1077D1077-D1079 PolarHBondContact O-N 2.77Å; D1077-D1079 PolarHBondContact OD1-N 3.15Å
1080N73.6Confident79.7Confident70 Ų7070.6 Ų70.637%0.37437%0.372SS..EExtended strand (participates in β ladder)trans-152.898.2176.9-176.3-7.1000112.3D1077 Q1082 S1083D1077-N1080 HydrophobicContact CB-CB 4.46Å; D1077-N1080 CarbonylContact O-C 3.5Å; D1077-N1080 PolarHBondContact O-N 3.38Å; D1077-N1080 VanDerWaalsContact O-N 3.11Å; N1080-Q1082 PolarHBondContact O-N 2.84Å; N1080-Q1082 PolarHBondContact OD1-N 3.18Å; N1080-Q1082 VanDerWaalsContact OD1-N 3.07Å; N1080-S1083 PolarHBondContact ND2-OG 3.34Å; N1080-S1083 PolarHBondContact O-N 3.48Å
1081E68.9Low79.6Confident153 Ų15376 Ų7672%0.71540%0.395SS*.EExtended strand (participates in β ladder)trans-58.1-16.7-179.6-68.9-171.4147.200114.9T1076T1076-E1081 WeakPolarHBondContact CG2-O 3.42Å
1082Q70.9Confident79.5Confident162 Ų16276.4 Ų76.476%0.75739%0.393SS*.EExtended strand (participates in β ladder)trans-87.8-15.6175.1-71.287.671.600113.9N1080N1080-Q1082 PolarHBondContact O-N 2.84Å; N1080-Q1082 PolarHBondContact OD1-N 3.18Å; N1080-Q1082 VanDerWaalsContact OD1-N 3.07Å
1083S70.8Confident79.5Confident49 Ų4973.1 Ų73.134%0.34337%0.373SS..EExtended strand (participates in β ladder)trans-95.5129.2-179.2-82.50000112.1T1076 D1077 N1080T1076-S1083 CarbonylContact C-O 3.53Å; T1076-S1083 WeakPolarHBondContact CA-O 2.93Å; D1077-S1083 PolarHBondContact N-O 2.65Å; N1080-S1083 PolarHBondContact ND2-OG 3.34Å; N1080-S1083 PolarHBondContact O-N 3.48Å
1084P79.8Confident79.8Confident45 Ų4577.5 Ų77.529%0.29239%0.393SS..EExtended strand (participates in β ladder)trans-73.7139.8168.928.6-31.8000111.5P1071 V1074 M1086P1071-P1084 HydrophobicContact CB-CB 4.1Å; P1071-P1084 HydrophobicContact CB-CG 3.8Å; V1074-P1084 HydrophobicContact CG2-CB 3.45Å; V1074-P1084 VanDerWaalsContact CG2-CB 3.45Å; P1084-M1086 HydrophobicContact CB-SD 3.91Å; P1084-M1086 HydrophobicContact CG-CG 4.21Å; P1084-M1086 HydrophobicContact CG-SD 3.85Å; P1084-M1086 PolarHBondContact O-N 3.16Å
1085R83.5Confident79.8Confident108 Ų10877.8 Ų77.841%0.40840%0.395SS..  trans-76.391.9174.3-66.3-176.781.1-177.52110.6Q1075 D1077 P1096Q1075-R1085 PolarHBondContact O-N 3.45Å; D1077-R1085 HydrophobicContact CB-CG 4.07Å; R1085-P1096 HydrophobicContact CB-CG 3.7Å
1086M85.6Confident80Confident64 Ų6475.1 Ų75.132%0.31539%0.385SS..  trans-81.7-12.6-177.4-56.9-58.8-77.500114.2N1054 C1069 P1071 V1074 P1084 C1088N1054-M1086 VanDerWaalsContact OD1-CB 3.23Å; N1054-M1086 WeakPolarHBondContact OD1-CB 2.96Å; N1054-M1086 PolarHBondContact OD1-O 3.44Å; C1069-M1086 HydrophobicContact CB-CE 4.26Å; C1069-M1086 HydrophobicContact CB-SD 4.28Å; C1069-M1086 WeakPolarHBondContact O-CE 3.04Å; C1069-M1086 PolarHBondContact SG-O 3.26Å; P1071-M1086 HydrophobicContact CB-CE 4.29Å; P1071-M1086 HydrophobicContact CB-SD 3.98Å; V1074-M1086 HydrophobicContact CG2-SD 4.34Å; P1084-M1086 HydrophobicContact CB-SD 3.91Å; P1084-M1086 HydrophobicContact CG-CG 4.21Å; P1084-M1086 HydrophobicContact CG-SD 3.85Å; P1084-M1086 PolarHBondContact O-N 3.16Å; M1086-C1088 PolarHBondContact O-N 2.01Å
1087Q85.4Confident80Confident74 Ų7473.1 Ų73.135%0.34637%0.374SS..PPolyproline II helixtrans-73119.9174.3-174.36528.500110.1N1054N1054-Q1087 PolarHBondContact OD1-N 3.19Å
1088C86.3Confident80.6Confident6 Ų674.6 Ų74.64%0.04138%0.378CS..PPolyproline II helixtrans-94.9169.4170.171.20000111.3C1067 M1086 E1090 G1093 H1094C1067-C1088 VanDerWaalsContact CA-SG 3.51Å; C1067-C1088 HydrophobicContact CB-CB 3.74Å; C1067-C1088 WeakPolarHBondContact CB-SG 3.46Å; C1067-C1088 WeakPolarHBondContact SG-CB 3.38Å; C1067-C1088 PolarHBondContact SG-N 3.15Å; C1067-C1088 CovalentContact SG-SG 2.03Å; C1067-C1088 PolarHBondContact SG-SG 3.48Å; M1086-C1088 PolarHBondContact O-N 2.01Å; C1088-E1090 PolarHBondContact O-N 3.27Å; C1088-G1093 VanDerWaalsContact CB-O 3.27Å; C1088-G1093 WeakPolarHBondContact CB-O 3.17Å; C1088-G1093 PolarHBondContact SG-O 3.31Å; C1088-H1094 WeakPolarHBondContact CA-O 3.27Å; C1088-H1094 WeakPolarHBondContact CB-O 3.04Å
1089N84.1Confident80.8Confident70 Ų7079.2 Ų79.237%0.37439%0.391SS..PPolyproline II helixtrans-66.8128.8174.3168.9-7.5000110.7W1056 F1091 D1092 G1093 H1094W1056-N1089 WeakPolarHBondContact CB-O 3.45Å; N1089-F1091 PolarHBondContact O-N 2.95Å; N1089-F1091 VanDerWaalsContact O-N 3.13Å; N1089-F1091 PolarHBondContact OD1-N 3.23Å; N1089-D1092 WeakPolarHBondContact CB-OD1 3.47Å; N1089-D1092 PolarHBondContact ND2-OD1 2.96Å; N1089-D1092 VanDerWaalsContact ND2-OD1 3.15Å; N1089-D1092 PolarHBondContact ND2-OD2 3.01Å; N1089-G1093 WeakPolarHBondContact O-CA 3.37Å; N1089-G1093 PolarHBondContact O-N 3.15Å; N1089-H1094 PolarHBondContact N-O 3.34Å
1090E80.3Confident80.9Confident60 Ų6073.1 Ų73.128%0.2837%0.365SS..THydrogen-bonded Turntrans-64.7-17.2-172.2-66.4175-151.300114.6C1051 W1056 K1057 C1088C1051-E1090 HydrophobicContact CB-CG 4.46Å; W1056-E1090 CarbonylContact C-O 3.54Å; W1056-E1090 WeakPolarHBondContact CA-O 3.32Å; K1057-E1090 PolarHBondContact N-O 2.99Å; C1088-E1090 PolarHBondContact O-N 3.27Å
1091F80.2Confident81.4Confident131 Ų13172.1 Ų72.158%0.57536%0.356SS*.THydrogen-bonded Turntrans-99.9-45.4-178.8-62.6-83.3000113.8I1058 A1059 N1089I1058-F1091 HydrophobicContact CG2-CD1 4.15Å; I1058-F1091 HydrophobicContact CG2-CE1 3.91Å; A1059-F1091 HydrophobicContact CB-CD1 4.36Å; N1089-F1091 PolarHBondContact O-N 2.95Å; N1089-F1091 VanDerWaalsContact O-N 3.13Å; N1089-F1091 PolarHBondContact OD1-N 3.23Å
1092D81.1Confident81.8Confident81 Ų8165.2 Ų65.243%0.43333%0.326SS..THydrogen-bonded Turntrans-107.9-7.5-175.166.323.6000114.1N1089 H1094N1089-D1092 WeakPolarHBondContact CB-OD1 3.47Å; N1089-D1092 PolarHBondContact ND2-OD1 2.96Å; N1089-D1092 VanDerWaalsContact ND2-OD1 3.15Å; N1089-D1092 PolarHBondContact ND2-OD2 3.01Å; D1092-H1094 VanDerWaalsContact C-N 3.26Å; D1092-H1094 PolarHBondContact O-N 3.47Å; D1092-H1094 WeakPolarHBondContact OD1-CB 3.23Å; D1092-H1094 PolarHBondContact OD1-N 2.87Å
1093G81.8Confident82Confident0 Ų057.7 Ų57.70%029%0.291CS..  trans72.68.5176.700000115.2W1056 C1088 N1089 C1095 R1104W1056-G1093 VanDerWaalsContact CG-CA 3.42Å; C1088-G1093 VanDerWaalsContact CB-O 3.27Å; C1088-G1093 WeakPolarHBondContact CB-O 3.17Å; C1088-G1093 PolarHBondContact SG-O 3.31Å; N1089-G1093 WeakPolarHBondContact O-CA 3.37Å; N1089-G1093 PolarHBondContact O-N 3.15Å; G1093-C1095 PolarHBondContact O-N 3.21Å; G1093-R1104 VanDerWaalsContact C-CG 3.49Å; G1093-R1104 WeakPolarHBondContact O-CG 3.43Å; G1093-R1104 PolarHBondContact O-NH1 2.94Å
1094H86.1Confident82.5Confident93 Ų9358 Ų5843%0.43129%0.285SS..  trans-72.6127.1-176.2-116.182.3000112.3C1088 N1089 D1092C1088-H1094 WeakPolarHBondContact CA-O 3.27Å; C1088-H1094 WeakPolarHBondContact CB-O 3.04Å; N1089-H1094 PolarHBondContact N-O 3.34Å; D1092-H1094 VanDerWaalsContact C-N 3.26Å; D1092-H1094 PolarHBondContact O-N 3.47Å; D1092-H1094 WeakPolarHBondContact OD1-CB 3.23Å; D1092-H1094 PolarHBondContact OD1-N 2.87Å
1095C87.6Confident82.8Confident6 Ų656.9 Ų56.94%0.04128%0.277CS..  trans-82.3152.6173.2-58.90000111.3C1069 V1074 G1093 C1097 R1104 C1106C1069-C1095 WeakPolarHBondContact CA-SG 3.36Å; C1069-C1095 HydrophobicContact CB-CB 3.8Å; C1069-C1095 WeakPolarHBondContact CB-SG 3.38Å; C1069-C1095 WeakPolarHBondContact SG-CB 3.49Å; C1069-C1095 CovalentContact SG-SG 2.03Å; C1069-C1095 PolarHBondContact SG-SG 3.46Å; V1074-C1095 HydrophobicContact CG1-CB 3.82Å; G1093-C1095 PolarHBondContact O-N 3.21Å; C1095-C1097 PolarHBondContact O-N 2.78Å; C1095-C1097 VanDerWaalsContact O-N 3.08Å; C1095-C1097 PolarHBondContact O-SG 3.08Å; C1095-C1097 VanDerWaalsContact O-SG 3.41Å; C1095-R1104 WeakPolarHBondContact CB-O 2.91Å; C1095-R1104 PolarHBondContact N-O 3.43Å; C1095-R1104 PolarHBondContact SG-O 3.33Å; C1095-C1106 WeakPolarHBondContact CB-SG 3.43Å; C1095-C1106 PolarHBondContact O-SG 3.29Å; C1095-C1106 VanDerWaalsContact O-SG 3.38Å
1096P88Confident83Confident34 Ų3451.7 Ų51.722%0.22126%0.258CS..  trans-79.190.9-178.930.8-34.6000111.7V1074 Q1075 R1085V1074-P1096 CarbonylContact C-O 3.42Å; V1074-P1096 VanDerWaalsContact CA-O 3.31Å; V1074-P1096 WeakPolarHBondContact CA-O 3.34Å; Q1075-P1096 WeakPolarHBondContact CG-O 3.14Å; Q1075-P1096 PolarHBondContact N-O 2.79Å; R1085-P1096 HydrophobicContact CB-CG 3.7Å
1097C84.4Confident82.8Confident25 Ų2551.2 Ų51.217%0.16926%0.261CS..BIsolated β-bridgetrans-75.4148.3-172.1-50.70000114.9Q1075 C1095 R1101 C1106Q1075-C1097 PolarHBondContact NE2-O 2.71Å; C1095-C1097 PolarHBondContact O-N 2.78Å; C1095-C1097 VanDerWaalsContact O-N 3.08Å; C1095-C1097 PolarHBondContact O-SG 3.08Å; C1095-C1097 VanDerWaalsContact O-SG 3.41Å; C1097-R1101 HydrophobicContact CB-CB 4.19Å; C1097-R1101 WeakPolarHBondContact CB-O 3.26Å; C1097-C1106 WeakPolarHBondContact CA-SG 3.3Å; C1097-C1106 HydrophobicContact CB-CB 3.74Å; C1097-C1106 WeakPolarHBondContact CB-SG 3.41Å; C1097-C1106 PolarHBondContact N-SG 2.77Å; C1097-C1106 WeakPolarHBondContact SG-CA 3.48Å; C1097-C1106 WeakPolarHBondContact SG-CB 3.36Å; C1097-C1106 CovalentContact SG-SG 2.04Å; C1097-C1106 PolarHBondContact SG-SG 2.73Å
1098K83.5Confident82.5Confident82 Ų8251 Ų5136%0.35726%0.26SS..PPolyproline II helixtrans-68154.9163.6-72.5169.8173.7120.40110.3T1072 G1073 V1074 Q1075 G1100 R1101T1072-K1098 PolarHBondContact O-NZ 2.8Å; G1073-K1098 WeakPolarHBondContact O-CB 3.34Å; G1073-K1098 PolarHBondContact O-N 3.3Å; V1074-K1098 WeakPolarHBondContact O-CD 3.39Å; V1074-K1098 WeakPolarHBondContact O-CE 3.27Å; V1074-K1098 WeakPolarHBondContact O-CG 3.12Å; V1074-K1098 PolarHBondContact O-NZ 3.5Å; Q1075-K1098 HydrophobicContact CG-CG 4.43Å; K1098-G1100 PolarHBondContact O-N 3Å; K1098-R1101 HydrophobicContact CB-CG 4.39Å; K1098-R1101 WeakPolarHBondContact O-CA 3.43Å; K1098-R1101 WeakPolarHBondContact O-CB 3.35Å; K1098-R1101 PolarHBondContact O-N 2.92Å
1099Q81.2Confident82.4Confident194 Ų19450.8 Ų50.891%0.90726%0.258SS*.THydrogen-bonded Turntrans-57.4137.3177.2-168.4168.811.200111.5R1101Q1099-R1101 PolarHBondContact O-N 3.36Å
1100G76.5Confident82.3Confident28 Ų2850.6 Ų50.629%0.28926%0.255SS..THydrogen-bonded Turntrans82.4-20.5-170.900000115.2K1098 E1110K1098-G1100 PolarHBondContact O-N 3Å; G1100-E1110 WeakPolarHBondContact CA-OE2 3.24Å; G1100-E1110 PolarHBondContact N-OE2 3.38Å; G1100-E1110 PolarHBondContact O-N 3.28Å
1101R83.4Confident82.2Confident50 Ų5052.4 Ų52.419%0.18927%0.267CS..EExtended strand (participates in β ladder)trans-93.8147.5172.4-60.2-71.3-121.4-103.9-6.1110T1072 C1097 K1098 Q1099 E1108 P1117T1072-R1101 PolarHBondContact OG1-NH2 3.46Å; C1097-R1101 HydrophobicContact CB-CB 4.19Å; C1097-R1101 WeakPolarHBondContact CB-O 3.26Å; K1098-R1101 HydrophobicContact CB-CG 4.39Å; K1098-R1101 WeakPolarHBondContact O-CA 3.43Å; K1098-R1101 WeakPolarHBondContact O-CB 3.35Å; K1098-R1101 PolarHBondContact O-N 2.92Å; Q1099-R1101 PolarHBondContact O-N 3.36Å; R1101-E1108 CarbonylContact C-O 3.25Å; R1101-E1108 WeakPolarHBondContact CA-O 3.3Å; R1101-P1117 PolarHBondContact NH1-O 3.04Å
1102G76.5Confident82.3Confident7 Ų752.7 Ų52.77%0.07227%0.265CS..EExtended strand (participates in β ladder)trans-160.2-166.1178.500000112.6C1106 E1108 C1109G1102-C1106 CarbonylContact O-C 3.6Å; G1102-C1106 WeakPolarHBondContact O-CA 3.43Å; G1102-E1108 PolarHBondContact N-O 3.35Å; G1102-E1108 CarbonylContact O-C 3.42Å; G1102-E1108 WeakPolarHBondContact O-CA 3.36Å; G1102-E1108 WeakPolarHBondContact O-CB 3.34Å; G1102-E1108 PolarHBondContact O-N 3.39Å; G1102-C1109 WeakPolarHBondContact CA-O 3.34Å
1103G75.1Confident82.6Confident4 Ų452.6 Ų52.64%0.04126%0.259CS..SBendtrans81.4162.1-168.700000111.3T1105 C1106 E1108 R1138G1103-T1105 PolarHBondContact O-N 3.41Å; G1103-C1106 PolarHBondContact O-N 2.99Å; G1103-E1108 WeakPolarHBondContact CA-OE2 3.38Å; G1103-R1138 VanDerWaalsContact N-NH1 3.1Å
1104R82.6Confident82.7Confident56 Ų5656 Ų5621%0.21127%0.272CS..THydrogen-bonded Turntrans-51.5-38.2-176.1-170.4-176.977.869.9-6.1112P1066 C1067 G1093 C1095P1066-R1104 PolarHBondContact O-NH2 3.36Å; C1067-R1104 PolarHBondContact O-NH1 2.93Å; C1067-R1104 PolarHBondContact O-NH2 3.11Å; C1067-R1104 VanDerWaalsContact O-NH2 3.17Å; G1093-R1104 VanDerWaalsContact C-CG 3.49Å; G1093-R1104 WeakPolarHBondContact O-CG 3.43Å; G1093-R1104 PolarHBondContact O-NH1 2.94Å; C1095-R1104 WeakPolarHBondContact CB-O 2.91Å; C1095-R1104 PolarHBondContact N-O 3.43Å; C1095-R1104 PolarHBondContact SG-O 3.33Å
1105T85.6Confident82.4Confident21 Ų2152.4 Ų52.413%0.12926%0.26CS..THydrogen-bonded Turntrans-98.40-175.449.40000114.4Q1068 C1069 D1070 G1103 S1107Q1068-T1105 HydrophobicContact CB-CG2 4.01Å; Q1068-T1105 VanDerWaalsContact O-CB 3.3Å; Q1068-T1105 WeakPolarHBondContact O-CB 3.46Å; Q1068-T1105 WeakPolarHBondContact O-CG2 3.39Å; C1069-T1105 CarbonylContact C-O 3.49Å; C1069-T1105 WeakPolarHBondContact CA-O 3.39Å; D1070-T1105 PolarHBondContact N-O 3.11Å; G1103-T1105 PolarHBondContact O-N 3.41Å; T1105-S1107 PolarHBondContact O-N 2.87Å; T1105-S1107 PolarHBondContact OG1-OG 2.87Å
1106C87.1Confident81.9Confident0 Ų056 Ų560%028%0.279CS..SBendtrans59.516.6-170.7-49.20000115.7V1074 C1095 C1097 G1102 G1103V1074-C1106 HydrophobicContact CG1-CB 4.11Å; C1095-C1106 WeakPolarHBondContact CB-SG 3.43Å; C1095-C1106 PolarHBondContact O-SG 3.29Å; C1095-C1106 VanDerWaalsContact O-SG 3.38Å; C1097-C1106 WeakPolarHBondContact CA-SG 3.3Å; C1097-C1106 HydrophobicContact CB-CB 3.74Å; C1097-C1106 WeakPolarHBondContact CB-SG 3.41Å; C1097-C1106 PolarHBondContact N-SG 2.77Å; C1097-C1106 WeakPolarHBondContact SG-CA 3.48Å; C1097-C1106 WeakPolarHBondContact SG-CB 3.36Å; C1097-C1106 CovalentContact SG-SG 2.04Å; C1097-C1106 PolarHBondContact SG-SG 2.73Å; G1102-C1106 CarbonylContact O-C 3.6Å; G1102-C1106 WeakPolarHBondContact O-CA 3.43Å; G1103-C1106 PolarHBondContact O-N 2.99Å
1107S82.6Confident81.1Confident53 Ų5355.6 Ų55.637%0.37128%0.276SS..  trans-95.612.9176.8670000113.4T1105 P1117T1105-S1107 PolarHBondContact O-N 2.87Å; T1105-S1107 PolarHBondContact OG1-OG 2.87Å; S1107-P1117 WeakPolarHBondContact O-CG 2.98Å
1108E79.7Confident80.6Confident71 Ų7162.3 Ų62.333%0.33230%0.298SS..EExtended strand (participates in β ladder)trans-129.1177.3-178.6-51.7176.8155.800110.2R1101 G1102 G1103 R1138R1101-E1108 CarbonylContact C-O 3.25Å; R1101-E1108 WeakPolarHBondContact CA-O 3.3Å; G1102-E1108 PolarHBondContact N-O 3.35Å; G1102-E1108 CarbonylContact O-C 3.42Å; G1102-E1108 WeakPolarHBondContact O-CA 3.36Å; G1102-E1108 WeakPolarHBondContact O-CB 3.34Å; G1102-E1108 PolarHBondContact O-N 3.39Å; G1103-E1108 WeakPolarHBondContact CA-OE2 3.38Å; E1108-R1138 WeakPolarHBondContact OE2-CD 3.32Å; E1108-R1138 IonicContact OE2-CZ 3.02Å; E1108-R1138 VanDerWaalsContact OE2-CZ 3.32Å; E1108-R1138 IonicContact OE2-NE 2.63Å; E1108-R1138 PolarHBondContact OE2-NE 3.44Å; E1108-R1138 IonicContact OE2-NH1 3.47Å; E1108-R1138 PolarHBondContact OE2-NH1 2.95Å
1109C82.4Confident80.2Confident1 Ų166.8 Ų66.81%0.00732%0.32CS..EExtended strand (participates in β ladder)trans-72160.4169.5-66.70000112.4G1102 C1121 R1138G1102-C1109 WeakPolarHBondContact CA-O 3.34Å; C1109-C1121 VanDerWaalsContact CA-SG 3.55Å; C1109-C1121 HydrophobicContact CB-CB 3.82Å; C1109-C1121 WeakPolarHBondContact CB-SG 3.01Å; C1109-C1121 WeakPolarHBondContact SG-CB 2.94Å; C1109-C1121 CovalentContact SG-SG 2.04Å; C1109-C1121 PolarHBondContact SG-SG 2.87Å; C1109-R1138 PolarHBondContact O-NH1 3.06Å
1110E82.8Confident80.1Confident66 Ų6664 Ų6431%0.30831%0.307SS..PPolyproline II helixtrans-62.5163.2170.568.4179.2-15100112.9G1100 Y1112 Y1113G1100-E1110 WeakPolarHBondContact CA-OE2 3.24Å; G1100-E1110 PolarHBondContact N-OE2 3.38Å; G1100-E1110 PolarHBondContact O-N 3.28Å; E1110-Y1112 PolarHBondContact O-N 3.44Å; E1110-Y1113 HydrophobicContact CG-CD2 3.6Å; E1110-Y1113 HydrophobicContact CG-CE2 4.03Å; E1110-Y1113 HydrophobicContact CG-CG 4.23Å; E1110-Y1113 PolarHBondContact O-N 3.09Å; E1110-Y1113 VanDerWaalsContact O-N 3.11Å; E1110-Y1113 WeakPolarHBondContact OE1-CE2 3.41Å
1111N77.4Confident80.3Confident97 Ų9764.3 Ų64.352%0.51930%0.304SS..THydrogen-bonded Turntrans-59.4141.1-178.6-68.9-10.4000111Y1113 R1138N1111-Y1113 VanDerWaalsContact C-N 3.31Å; N1111-Y1113 WeakPolarHBondContact O-CD2 3.36Å; N1111-R1138 PolarHBondContact OD1-NH2 3.4Å
1112Y83.8Confident80.3Confident137 Ų13765.3 Ų65.354%0.53731%0.313SS..THydrogen-bonded Turntrans70.414.7-171.1-41.6-70.6000115.7E1110 P1123 C1124 L1134E1110-Y1112 PolarHBondContact O-N 3.44Å; Y1112-P1123 CarbonylContact O-C 3.59Å; Y1112-P1123 WeakPolarHBondContact O-CA 3.43Å; Y1112-C1124 WeakPolarHBondContact O-CB 3.37Å; Y1112-C1124 PolarHBondContact O-N 3.45Å; Y1112-C1124 PolarHBondContact O-SG 3.07Å; Y1112-C1124 VanDerWaalsContact O-SG 3.39Å; Y1112-L1134 HydrophobicContact CD1-CB 4Å; Y1112-L1134 HydrophobicContact CE1-CB 3.94Å
1113Y86.8Confident80.6Confident79 Ų7968.1 Ų68.131%0.3133%0.33SS..EExtended strand (participates in β ladder)trans-126.3164.2171.9-66.3-106.8000112.8E1110 N1111 C1121 L1122 P1123 Q1135E1110-Y1113 HydrophobicContact CG-CD2 3.6Å; E1110-Y1113 HydrophobicContact CG-CE2 4.03Å; E1110-Y1113 HydrophobicContact CG-CG 4.23Å; E1110-Y1113 PolarHBondContact O-N 3.09Å; E1110-Y1113 VanDerWaalsContact O-N 3.11Å; E1110-Y1113 WeakPolarHBondContact OE1-CE2 3.41Å; N1111-Y1113 VanDerWaalsContact C-N 3.31Å; N1111-Y1113 WeakPolarHBondContact O-CD2 3.36Å; Y1113-C1121 HydrophobicContact CD1-CB 4.35Å; Y1113-C1121 WeakPolarHBondContact CD1-O 3.18Å; Y1113-L1122 CarbonylContact C-O 3.38Å; Y1113-L1122 WeakPolarHBondContact CA-O 3.14Å; Y1113-L1122 WeakPolarHBondContact CB-O 3.36Å; Y1113-L1122 VanDerWaalsContact CD1-C 3.41Å; Y1113-P1123 HydrophobicContact CD1-CB 4.06Å; Y1113-P1123 HydrophobicContact CE1-CB 3.83Å; Y1113-P1123 HydrophobicContact CE1-CG 4.31Å; Y1113-Q1135 PolarHBondContact O-NE2 3.26Å; Y1113-Q1135 VanDerWaalsContact O-NE2 3.09Å
1114W84.8Confident81.1Confident72 Ų7269.1 Ų69.127%0.27334%0.336SS..EExtended strand (participates in β ladder)trans-146.3158.3176.171.9-80.5000111.2C1121 L1122 R1138 N1140 G1141W1114-C1121 CarbonylContact O-C 3.56Å; W1114-C1121 WeakPolarHBondContact O-CA 3.01Å; W1114-L1122 HydrophobicContact CH2-CD1 4.25Å; W1114-L1122 HydrophobicContact CZ2-CB 4.46Å; W1114-L1122 HydrophobicContact CZ2-CD1 3.85Å; W1114-L1122 PolarHBondContact N-O 2.95Å; W1114-L1122 PolarHBondContact O-N 3.07Å; W1114-R1138 CarbonylContact C-O 3.57Å; W1114-R1138 VanDerWaalsContact CA-O 3.25Å; W1114-R1138 WeakPolarHBondContact CA-O 3.38Å; W1114-R1138 WeakPolarHBondContact CB-O 3.22Å; W1114-N1140 VanDerWaalsContact CE3-CA 3.47Å; W1114-N1140 VanDerWaalsContact CZ3-C 3.49Å; W1114-G1141 VanDerWaalsContact CD2-N 3.27Å; W1114-G1141 VanDerWaalsContact CE3-N 3.31Å
1115G79.7Confident81.3Confident17 Ų1773 Ų7318%0.17536%0.357CS..EExtended strand (participates in β ladder)trans136.2-174.1-178.900000111.7P1117 R1138G1115-P1117 WeakPolarHBondContact O-CD 3.43Å; G1115-R1138 PolarHBondContact N-O 2.94Å
1116D76Confident81.3Confident83 Ų8372.6 Ų72.644%0.44435%0.354SS..EExtended strand (participates in β ladder)trans-82.9114.9166.3-173.5-24.2000108.1R1118 E1119 E1120D1116-R1118 PolarHBondContact O-N 3.29Å; D1116-R1118 VanDerWaalsContact OD1-CB 3.29Å; D1116-R1118 WeakPolarHBondContact OD1-CB 3.26Å; D1116-R1118 PolarHBondContact OD1-N 2.6Å; D1116-E1119 HydrophobicContact CB-CB 4.39Å; D1116-E1119 PolarHBondContact O-N 3.08Å; D1116-E1120 CarbonylContact O-C 3.48Å; D1116-E1120 PolarHBondContact O-N 2.74Å
1117P71.1Confident81.2Confident24 Ų2474.5 Ų74.516%0.15636%0.364CS..THydrogen-bonded Turntrans-64-10179.529.1-37.6000114.3R1101 S1107 G1115R1101-P1117 PolarHBondContact NH1-O 3.04Å; S1107-P1117 WeakPolarHBondContact O-CG 2.98Å; G1115-P1117 WeakPolarHBondContact O-CD 3.43Å
1118R73.6Confident81.2Confident166 Ų16676.8 Ų76.863%0.62638%0.378SS*.THydrogen-bonded Turntrans-87.9-17.6172.1-58.9-178.4176.3-176-0.2113.3D1070 D1116D1070-R1118 IonicContact OD1-NH2 2.78Å; D1070-R1118 IonicContact OD2-CZ 3.73Å; D1070-R1118 IonicContact OD2-NE 3.81Å; D1070-R1118 IonicContact OD2-NH2 3.7Å; D1070-R1118 PolarHBondContact OD2-NH2 3.4Å; D1116-R1118 PolarHBondContact O-N 3.29Å; D1116-R1118 VanDerWaalsContact OD1-CB 3.29Å; D1116-R1118 WeakPolarHBondContact OD1-CB 3.26Å; D1116-R1118 PolarHBondContact OD1-N 2.6Å
1119E75.4Confident81.4Confident176 Ų17679.6 Ų79.682%0.82240%0.395SS*.THydrogen-bonded Turntrans-112.2-68.3176.1-62.1-158.1160.300112.6D1116D1116-E1119 HydrophobicContact CB-CB 4.39Å; D1116-E1119 PolarHBondContact O-N 3.08Å
1120E79.3Confident81.4Confident136 Ų13679.5 Ų79.564%0.63639%0.394SS*.EExtended strand (participates in β ladder)trans-156.5137.6-178.1-171.3169.9-155.800111.8D1116 L1122D1116-E1120 CarbonylContact O-C 3.48Å; D1116-E1120 PolarHBondContact O-N 2.74Å; E1120-L1122 HydrophobicContact CG-CD2 4.36Å
1121C81.1Confident81.5Confident34 Ų3476.9 Ų76.923%0.2338%0.383CS..EExtended strand (participates in β ladder)trans-108.7118.8173.5-71.10000110.4C1109 Y1113 W1114C1109-C1121 VanDerWaalsContact CA-SG 3.55Å; C1109-C1121 HydrophobicContact CB-CB 3.82Å; C1109-C1121 WeakPolarHBondContact CB-SG 3.01Å; C1109-C1121 WeakPolarHBondContact SG-CB 2.94Å; C1109-C1121 CovalentContact SG-SG 2.04Å; C1109-C1121 PolarHBondContact SG-SG 2.87Å; Y1113-C1121 HydrophobicContact CD1-CB 4.35Å; Y1113-C1121 WeakPolarHBondContact CD1-O 3.18Å; W1114-C1121 CarbonylContact O-C 3.56Å; W1114-C1121 WeakPolarHBondContact O-CA 3.01Å
1122L82.1Confident81.6Confident72 Ų7275.3 Ų75.338%0.37738%0.384SS..EExtended strand (participates in β ladder)trans-100.5142.1-179.6-64.3173000111.6Y1113 W1114 E1120Y1113-L1122 CarbonylContact C-O 3.38Å; Y1113-L1122 WeakPolarHBondContact CA-O 3.14Å; Y1113-L1122 WeakPolarHBondContact CB-O 3.36Å; Y1113-L1122 VanDerWaalsContact CD1-C 3.41Å; W1114-L1122 HydrophobicContact CH2-CD1 4.25Å; W1114-L1122 HydrophobicContact CZ2-CB 4.46Å; W1114-L1122 HydrophobicContact CZ2-CD1 3.85Å; W1114-L1122 PolarHBondContact N-O 2.95Å; W1114-L1122 PolarHBondContact O-N 3.07Å; E1120-L1122 HydrophobicContact CG-CD2 4.36Å
1123P84.5Confident81.4Confident66 Ų6671.5 Ų71.543%0.42938%0.375SS..EExtended strand (participates in β ladder)trans-70.7142.3-179.227.2-33.9000112.7Y1112 Y1113Y1112-P1123 CarbonylContact O-C 3.59Å; Y1112-P1123 WeakPolarHBondContact O-CA 3.43Å; Y1113-P1123 HydrophobicContact CD1-CB 4.06Å; Y1113-P1123 HydrophobicContact CE1-CB 3.83Å; Y1113-P1123 HydrophobicContact CE1-CG 4.31Å
1124C84.3Confident81.3Confident24 Ų2471.8 Ų71.816%0.16238%0.381CS..PPolyproline II helixtrans-69.1133.7177-65.40000112.1Y1112 L1134 C1136Y1112-C1124 WeakPolarHBondContact O-CB 3.37Å; Y1112-C1124 PolarHBondContact O-N 3.45Å; Y1112-C1124 PolarHBondContact O-SG 3.07Å; Y1112-C1124 VanDerWaalsContact O-SG 3.39Å; C1124-L1134 WeakPolarHBondContact CB-O 3.29Å; C1124-C1136 WeakPolarHBondContact CA-SG 3.48Å; C1124-C1136 HydrophobicContact CB-CB 3.63Å; C1124-C1136 WeakPolarHBondContact CB-SG 3.21Å; C1124-C1136 VanDerWaalsContact SG-CA 3.6Å; C1124-C1136 WeakPolarHBondContact SG-CB 3.36Å; C1124-C1136 PolarHBondContact SG-N 2.89Å; C1124-C1136 CovalentContact SG-SG 2.03Å; C1124-C1136 PolarHBondContact SG-SG 2.81Å
1125Q87.6Confident81.3Confident138 Ų13870 Ų7065%0.64538%0.376SS*.  trans-109.135.2-177.4-60.2-173.78.500112.9N1153Q1125-N1153 WeakPolarHBondContact O-CB 3.43Å; Q1125-N1153 VanDerWaalsContact O-CG 3.26Å
1126C85.7Confident81.5Confident12 Ų1269.2 Ų69.28%0.08137%0.368CS..  trans-67.4131.8-177.4-58.80000112.9P1128 S1131 C1143C1126-P1128 WeakPolarHBondContact O-CD 3.45Å; C1126-S1131 WeakPolarHBondContact CB-OG 3.34Å; C1126-C1143 WeakPolarHBondContact CA-SG 3.44Å; C1126-C1143 HydrophobicContact CB-CB 3.78Å; C1126-C1143 WeakPolarHBondContact CB-SG 3.43Å; C1126-C1143 WeakPolarHBondContact SG-CB 3.34Å; C1126-C1143 CovalentContact SG-SG 2.03Å; C1126-C1143 PolarHBondContact SG-SG 3.35Å
1127N85.4Confident81.7Confident40 Ų4070.3 Ų70.321%0.21437%0.37CS..  trans-75.7119.6178.4-168.8-46.6000110.7L1129 G1130 S1131 N1153 D1155 W1165N1127-L1129 PolarHBondContact O-N 2.71Å; N1127-L1129 PolarHBondContact OD1-N 3.25Å; N1127-L1129 VanDerWaalsContact OD1-N 3.15Å; N1127-G1130 PolarHBondContact O-N 3.09Å; N1127-G1130 VanDerWaalsContact O-N 3.08Å; N1127-S1131 PolarHBondContact N-OG 2.85Å; N1127-S1131 WeakPolarHBondContact O-CB 3.42Å; N1127-S1131 PolarHBondContact O-N 3.39Å; N1127-S1131 PolarHBondContact O-OG 3.13Å; N1127-N1153 WeakPolarHBondContact CB-O 3.45Å; N1127-N1153 PolarHBondContact N-O 3.4Å; N1127-D1155 HydrophobicContact CB-CB 4.27Å; N1127-W1165 VanDerWaalsContact CG-CH2 3.45Å; N1127-W1165 WeakPolarHBondContact ND2-CH2 3.42Å; N1127-W1165 WeakPolarHBondContact OD1-CH2 3.37Å
1128P82.4Confident82Confident101 Ų10171.6 Ų71.666%0.65637%0.372SS*.THydrogen-bonded Turntrans-60.1-19.3-174.6-21.329.7000115.8C1126 L1134C1126-P1128 WeakPolarHBondContact O-CD 3.45Å; P1128-L1134 HydrophobicContact CB-CD2 4.16Å; P1128-L1134 HydrophobicContact CG-CD2 3.99Å
1129L84.2Confident81.9Confident130 Ų13067.2 Ų67.268%0.68137%0.371SS*.THydrogen-bonded Turntrans-89.5-26.1179.2-75.2168.1000113.5N1127 W1165N1127-L1129 PolarHBondContact O-N 2.71Å; N1127-L1129 PolarHBondContact OD1-N 3.25Å; N1127-L1129 VanDerWaalsContact OD1-N 3.15Å; L1129-W1165 HydrophobicContact CB-CH2 3.83Å; L1129-W1165 HydrophobicContact CB-CZ2 3.83Å; L1129-W1165 HydrophobicContact CD1-CH2 4.21Å
1130G82.3Confident82.2Confident0 Ų063.1 Ų63.10%036%0.355CS..THydrogen-bonded Turntrans-115.5-14.5-173.100000114.1N1127 C1145 V1146 S1149 C1154N1127-G1130 PolarHBondContact O-N 3.09Å; N1127-G1130 VanDerWaalsContact O-N 3.08Å; G1130-C1145 CarbonylContact O-C 3.56Å; G1130-C1145 VanDerWaalsContact O-CA 3.23Å; G1130-C1145 WeakPolarHBondContact O-CA 3.39Å; G1130-V1146 WeakPolarHBondContact O-CG2 3.41Å; G1130-V1146 PolarHBondContact O-N 3.43Å; G1130-S1149 WeakPolarHBondContact CA-OG 3.04Å; G1130-S1149 WeakPolarHBondContact O-CB 3.42Å; G1130-C1154 WeakPolarHBondContact CA-O 3.5Å; G1130-C1154 VanDerWaalsContact O-CB 3.24Å; G1130-C1154 WeakPolarHBondContact O-CB 3.03Å
1131S83.4Confident82.3Confident11 Ų1157.2 Ų57.28%0.07733%0.33CS..EExtended strand (participates in β ladder)trans-94.6133.8172.8-53.80000111.3C1126 N1127 T1133 I1144 C1154C1126-S1131 WeakPolarHBondContact CB-OG 3.34Å; N1127-S1131 PolarHBondContact N-OG 2.85Å; N1127-S1131 WeakPolarHBondContact O-CB 3.42Å; N1127-S1131 PolarHBondContact O-N 3.39Å; N1127-S1131 PolarHBondContact O-OG 3.13Å; S1131-T1133 VanDerWaalsContact CB-O 3.25Å; S1131-T1133 WeakPolarHBondContact CB-O 3.34Å; S1131-T1133 PolarHBondContact O-N 3.26Å; S1131-I1144 CarbonylContact C-O 3.54Å; S1131-I1144 WeakPolarHBondContact CA-O 3.5Å; S1131-C1154 VanDerWaalsContact OG-CB 3.31Å; S1131-C1154 WeakPolarHBondContact OG-CB 3.26Å; S1131-C1154 PolarHBondContact OG-SG 2.8Å
1132A79.5Confident82.4Confident64 Ų6457.7 Ų57.753%0.52933%0.334SS..EExtended strand (participates in β ladder)trans-67-20.1173.900000112.7I1144 V1146A1132-I1144 HydrophobicContact CB-CG2 4.27Å; A1132-I1144 PolarHBondContact N-O 3.06Å; A1132-V1146 HydrophobicContact CB-CG1 3.93Å
1133T80.9Confident82.5Confident57 Ų5754.9 Ų54.935%0.3532%0.32SS..EExtended strand (participates in β ladder)trans-150148.9178.4168.50000109.6S1131 Q1135 I1144S1131-T1133 VanDerWaalsContact CB-O 3.25Å; S1131-T1133 WeakPolarHBondContact CB-O 3.34Å; S1131-T1133 PolarHBondContact O-N 3.26Å; T1133-Q1135 PolarHBondContact O-N 2.77Å; T1133-Q1135 PolarHBondContact OG1-N 2.97Å; T1133-Q1135 VanDerWaalsContact OG1-N 3.1Å; T1133-I1144 HydrophobicContact CG2-CB 4.15Å; T1133-I1144 HydrophobicContact CG2-CD1 4.14Å; T1133-I1144 HydrophobicContact CG2-CG1 4.44Å
1134L84.3Confident82.5Confident85 Ų8556.8 Ų56.845%0.44533%0.326SS..EExtended strand (participates in β ladder)trans-77.8-9173.8-63.5175.3000112.8Y1112 C1124 P1128Y1112-L1134 HydrophobicContact CD1-CB 4Å; Y1112-L1134 HydrophobicContact CE1-CB 3.94Å; C1124-L1134 WeakPolarHBondContact CB-O 3.29Å; P1128-L1134 HydrophobicContact CB-CD2 4.16Å; P1128-L1134 HydrophobicContact CG-CD2 3.99Å
1135Q84.2Confident82.5Confident33 Ų3357.6 Ų57.615%0.15433%0.331CS..EExtended strand (participates in β ladder)trans-80.1121.4170.2178.467.560.900109.7Y1113 T1133Y1113-Q1135 PolarHBondContact O-NE2 3.26Å; Y1113-Q1135 VanDerWaalsContact O-NE2 3.09Å; T1133-Q1135 PolarHBondContact O-N 2.77Å; T1133-Q1135 PolarHBondContact OG1-N 2.97Å; T1133-Q1135 VanDerWaalsContact OG1-N 3.1Å
1136C83.2Confident82.2Confident2 Ų254 Ų541%0.01432%0.319CS..EExtended strand (participates in β ladder)trans-84.2163.4168.465.50000112C1124 R1138 G1141C1124-C1136 WeakPolarHBondContact CA-SG 3.48Å; C1124-C1136 HydrophobicContact CB-CB 3.63Å; C1124-C1136 WeakPolarHBondContact CB-SG 3.21Å; C1124-C1136 VanDerWaalsContact SG-CA 3.6Å; C1124-C1136 WeakPolarHBondContact SG-CB 3.36Å; C1124-C1136 PolarHBondContact SG-N 2.89Å; C1124-C1136 CovalentContact SG-SG 2.03Å; C1124-C1136 PolarHBondContact SG-SG 2.81Å; C1136-R1138 PolarHBondContact O-N 3.47Å; C1136-G1141 VanDerWaalsContact CB-O 3.31Å; C1136-G1141 WeakPolarHBondContact CB-O 3.31Å
1137H80.2Confident81.9Confident105 Ų10560.9 Ų60.949%0.48636%0.355SS..PPolyproline II helixtrans-64.1119.5179.9-174.2-85.9000110.8A1139 N1140 G1141 S1142H1137-A1139 PolarHBondContact O-N 2.85Å; H1137-N1140 WeakPolarHBondContact CB-OD1 3.3Å; H1137-N1140 PolarHBondContact ND1-OD1 3.46Å; H1137-N1140 PolarHBondContact O-N 2.94Å; H1137-N1140 VanDerWaalsContact O-N 3.13Å; H1137-N1140 PolarHBondContact O-OD1 3.25Å; H1137-G1141 PolarHBondContact O-N 2.82Å; H1137-S1142 VanDerWaalsContact CB-O 3.24Å; H1137-S1142 WeakPolarHBondContact CB-O 3.01Å; H1137-S1142 WeakPolarHBondContact CB-OG 3.47Å; H1137-S1142 PolarHBondContact N-O 3.44Å
1138R79Confident81.7Confident51 Ų5159.3 Ų59.319%0.19235%0.348CS..THydrogen-bonded Turntrans-62.1-23.3-160.4-67.6175.8171.7-114.6-20.8115.1G1103 E1108 C1109 N1111 W1114 G1115 C1136G1103-R1138 VanDerWaalsContact N-NH1 3.1Å; E1108-R1138 WeakPolarHBondContact OE2-CD 3.32Å; E1108-R1138 IonicContact OE2-CZ 3.02Å; E1108-R1138 VanDerWaalsContact OE2-CZ 3.32Å; E1108-R1138 IonicContact OE2-NE 2.63Å; E1108-R1138 PolarHBondContact OE2-NE 3.44Å; E1108-R1138 IonicContact OE2-NH1 3.47Å; E1108-R1138 PolarHBondContact OE2-NH1 2.95Å; C1109-R1138 PolarHBondContact O-NH1 3.06Å; N1111-R1138 PolarHBondContact OD1-NH2 3.4Å; W1114-R1138 CarbonylContact C-O 3.57Å; W1114-R1138 VanDerWaalsContact CA-O 3.25Å; W1114-R1138 WeakPolarHBondContact CA-O 3.38Å; W1114-R1138 WeakPolarHBondContact CB-O 3.22Å; G1115-R1138 PolarHBondContact N-O 2.94Å; C1136-R1138 PolarHBondContact O-N 3.47Å
1139A71.1Confident81.8Confident74 Ų7455.2 Ų55.261%0.61232%0.321SS*.THydrogen-bonded Turntrans-90.6-20-179.900000115.1H1137H1137-A1139 PolarHBondContact O-N 2.85Å
1140N81.6Confident81.6Confident90 Ų9049.5 Ų49.548%0.48129%0.294SS..THydrogen-bonded Turntrans-148.41.1-168.670-8.6000115.8W1114 H1137 S1142W1114-N1140 VanDerWaalsContact CE3-CA 3.47Å; W1114-N1140 VanDerWaalsContact CZ3-C 3.49Å; H1137-N1140 WeakPolarHBondContact CB-OD1 3.3Å; H1137-N1140 PolarHBondContact ND1-OD1 3.46Å; H1137-N1140 PolarHBondContact O-N 2.94Å; H1137-N1140 VanDerWaalsContact O-N 3.13Å; H1137-N1140 PolarHBondContact O-OD1 3.25Å; N1140-S1142 VanDerWaalsContact C-N 3.35Å; N1140-S1142 PolarHBondContact O-N 2.82Å; N1140-S1142 PolarHBondContact OD1-N 2.84Å; N1140-S1142 PolarHBondContact OD1-OG 3.05Å
1141G81.6Confident81.4Confident12 Ų1250.8 Ų50.812%0.12431%0.307CS..  trans80.31.9171.600000116.6W1114 C1136 H1137W1114-G1141 VanDerWaalsContact CD2-N 3.27Å; W1114-G1141 VanDerWaalsContact CE3-N 3.31Å; C1136-G1141 VanDerWaalsContact CB-O 3.31Å; C1136-G1141 WeakPolarHBondContact CB-O 3.31Å; H1137-G1141 PolarHBondContact O-N 2.82Å
1142S81.9Confident81.1Confident45 Ų4554.3 Ų54.332%0.31533%0.33SS..  trans-75.8134.1-179.661.40000112.6H1137 N1140H1137-S1142 VanDerWaalsContact CB-O 3.24Å; H1137-S1142 WeakPolarHBondContact CB-O 3.01Å; H1137-S1142 WeakPolarHBondContact CB-OG 3.47Å; H1137-S1142 PolarHBondContact N-O 3.44Å; N1140-S1142 VanDerWaalsContact C-N 3.35Å; N1140-S1142 PolarHBondContact O-N 2.82Å; N1140-S1142 PolarHBondContact OD1-N 2.84Å; N1140-S1142 PolarHBondContact OD1-OG 3.05Å
1143C85Confident81.4Confident12 Ų1253.3 Ų53.38%0.08132%0.316CS..EExtended strand (participates in β ladder)trans-86.2147.1-178.5-60.70000113C1126 C1145 P1152 C1154C1126-C1143 WeakPolarHBondContact CA-SG 3.44Å; C1126-C1143 HydrophobicContact CB-CB 3.78Å; C1126-C1143 WeakPolarHBondContact CB-SG 3.43Å; C1126-C1143 WeakPolarHBondContact SG-CB 3.34Å; C1126-C1143 CovalentContact SG-SG 2.03Å; C1126-C1143 PolarHBondContact SG-SG 3.35Å; C1143-C1145 PolarHBondContact O-N 3.12Å; C1143-P1152 WeakPolarHBondContact CB-O 3.31Å; C1143-P1152 PolarHBondContact N-O 3.18Å; C1143-P1152 PolarHBondContact SG-O 2.02Å; C1143-C1154 VanDerWaalsContact CB-SG 3.54Å; C1143-C1154 PolarHBondContact O-SG 3.01Å
1144I84.4Confident81.6Confident107 Ų10750.6 Ų50.655%0.54930%0.299SS..EExtended strand (participates in β ladder)trans-79.9114173.4-58.1177.1000108.1S1131 A1132 T1133S1131-I1144 CarbonylContact C-O 3.54Å; S1131-I1144 WeakPolarHBondContact CA-O 3.5Å; A1132-I1144 HydrophobicContact CB-CG2 4.27Å; A1132-I1144 PolarHBondContact N-O 3.06Å; T1133-I1144 HydrophobicContact CG2-CB 4.15Å; T1133-I1144 HydrophobicContact CG2-CD1 4.14Å; T1133-I1144 HydrophobicContact CG2-CG1 4.44Å
1145C83.8Confident81.8Confident40 Ų4050 Ų5027%0.2730%0.297SS..EExtended strand (participates in β ladder)trans-90.2144.1-176.1-48.10000112.5G1130 C1143 S1149 C1154G1130-C1145 CarbonylContact O-C 3.56Å; G1130-C1145 VanDerWaalsContact O-CA 3.23Å; G1130-C1145 WeakPolarHBondContact O-CA 3.39Å; C1143-C1145 PolarHBondContact O-N 3.12Å; C1145-S1149 WeakPolarHBondContact CB-O 3.47Å; C1145-C1154 WeakPolarHBondContact CA-SG 3.02Å; C1145-C1154 HydrophobicContact CB-CB 3.66Å; C1145-C1154 WeakPolarHBondContact CB-SG 3.37Å; C1145-C1154 PolarHBondContact N-SG 3.09Å; C1145-C1154 VanDerWaalsContact N-SG 3.4Å; C1145-C1154 WeakPolarHBondContact SG-CA 3.4Å; C1145-C1154 WeakPolarHBondContact SG-CB 3.26Å; C1145-C1154 CovalentContact SG-SG 2.04Å; C1145-C1154 PolarHBondContact SG-SG 2.78Å
1146V82.2Confident81.9Confident64 Ų6453.7 Ų53.739%0.38831%0.313SS..PPolyproline II helixtrans-71.3150.7166.2-84.70000110.4G1130 A1132 G1148 S1149G1130-V1146 WeakPolarHBondContact O-CG2 3.41Å; G1130-V1146 PolarHBondContact O-N 3.43Å; A1132-V1146 HydrophobicContact CB-CG1 3.93Å; V1146-G1148 PolarHBondContact O-N 2.79Å; V1146-S1149 WeakPolarHBondContact O-CA 3.3Å; V1146-S1149 WeakPolarHBondContact O-CB 3.38Å; V1146-S1149 PolarHBondContact O-N 2.02Å
1147D80.1Confident81.9Confident156 Ų15655 Ų5583%0.83432%0.322SS*.THydrogen-bonded Turntrans-47.1128.7-179.4-86.2-37.6000112.4
1148G80.2Confident81.7Confident6 Ų650.9 Ų50.96%0.06231%0.306CS..THydrogen-bonded Turntrans91.8-22.1-174.200000115V1146 C1157 A1158 C1168V1146-G1148 PolarHBondContact O-N 2.79Å; G1148-C1157 CarbonylContact O-C 3.54Å; G1148-C1157 WeakPolarHBondContact O-CA 3.42Å; G1148-A1158 PolarHBondContact O-N 3.48Å; G1148-C1168 WeakPolarHBondContact O-CB 3.48Å; G1148-C1168 PolarHBondContact O-SG 2.79Å; G1148-C1168 VanDerWaalsContact O-SG 3.35Å
1149S85.1Confident81.5Confident15 Ų1555 Ų5511%0.10532%0.322CS..EExtended strand (participates in β ladder)trans-95.3146.4172.3-61.70000112G1130 C1145 V1146 Q1156 A1158 W1165G1130-S1149 WeakPolarHBondContact CA-OG 3.04Å; G1130-S1149 WeakPolarHBondContact O-CB 3.42Å; C1145-S1149 WeakPolarHBondContact CB-O 3.47Å; V1146-S1149 WeakPolarHBondContact O-CA 3.3Å; V1146-S1149 WeakPolarHBondContact O-CB 3.38Å; V1146-S1149 PolarHBondContact O-N 2.02Å; S1149-Q1156 CarbonylContact C-O 3.45Å; S1149-Q1156 WeakPolarHBondContact CA-O 2.97Å; S1149-A1158 WeakPolarHBondContact O-CB 2.89Å; S1149-W1165 PolarHBondContact OG-NE1 3.41Å
1150G79.5Confident81.7Confident10 Ų1052.2 Ų52.210%0.10330%0.301CS..EExtended strand (participates in β ladder)trans-159.5-173.8-179.100000112.4C1154 D1155 Q1156G1150-C1154 CarbonylContact O-C 3.43Å; G1150-C1154 VanDerWaalsContact O-CA 3.26Å; G1150-C1154 WeakPolarHBondContact O-CA 3.28Å; G1150-D1155 PolarHBondContact O-N 2.89Å; G1150-Q1156 PolarHBondContact N-O 2.84Å; G1150-Q1156 WeakPolarHBondContact O-CG 3.28Å; G1150-Q1156 PolarHBondContact O-N 3.37Å; G1150-Q1156 VanDerWaalsContact O-N 3.15Å; G1150-Q1156 VanDerWaalsContact O-O 3.12Å
1151G77.9Confident81.7Confident27 Ų2751.3 Ų51.328%0.27829%0.291SS..SBendtrans86.2163.9-165.900000112.5N1153 C1154G1151-N1153 PolarHBondContact O-N 3.49Å; G1151-C1154 PolarHBondContact O-N 3.31Å
1152P77.8Confident81.6Confident86 Ų8654.3 Ų54.356%0.55831%0.307SS*.THydrogen-bonded Turntrans-61.2-32.3-172.324-33.5000113.2C1143C1143-P1152 WeakPolarHBondContact CB-O 3.31Å; C1143-P1152 PolarHBondContact N-O 3.18Å; C1143-P1152 PolarHBondContact SG-O 2.02Å
1153N85.6Confident81.4Confident43 Ų4354.8 Ų54.823%0.2332%0.319CS..THydrogen-bonded Turntrans-102.65.6177.6-64.9-11.4000113Q1125 N1127 G1151 D1155Q1125-N1153 WeakPolarHBondContact O-CB 3.43Å; Q1125-N1153 VanDerWaalsContact O-CG 3.26Å; N1127-N1153 WeakPolarHBondContact CB-O 3.45Å; N1127-N1153 PolarHBondContact N-O 3.4Å; G1151-N1153 PolarHBondContact O-N 3.49Å; N1153-D1155 VanDerWaalsContact C-N 3.34Å; N1153-D1155 PolarHBondContact O-N 2.94Å
1154C85.9Confident81.3Confident0 Ų061.1 Ų61.10%035%0.35CS..SBendtrans59.434.1-175.3-49.70000115.8G1130 S1131 C1143 C1145 G1150 G1151 W1165G1130-C1154 WeakPolarHBondContact CA-O 3.5Å; G1130-C1154 VanDerWaalsContact O-CB 3.24Å; G1130-C1154 WeakPolarHBondContact O-CB 3.03Å; S1131-C1154 VanDerWaalsContact OG-CB 3.31Å; S1131-C1154 WeakPolarHBondContact OG-CB 3.26Å; S1131-C1154 PolarHBondContact OG-SG 2.8Å; C1143-C1154 VanDerWaalsContact CB-SG 3.54Å; C1143-C1154 PolarHBondContact O-SG 3.01Å; C1145-C1154 WeakPolarHBondContact CA-SG 3.02Å; C1145-C1154 HydrophobicContact CB-CB 3.66Å; C1145-C1154 WeakPolarHBondContact CB-SG 3.37Å; C1145-C1154 PolarHBondContact N-SG 3.09Å; C1145-C1154 VanDerWaalsContact N-SG 3.4Å; C1145-C1154 WeakPolarHBondContact SG-CA 3.4Å; C1145-C1154 WeakPolarHBondContact SG-CB 3.26Å; C1145-C1154 CovalentContact SG-SG 2.04Å; C1145-C1154 PolarHBondContact SG-SG 2.78Å; G1150-C1154 CarbonylContact O-C 3.43Å; G1150-C1154 VanDerWaalsContact O-CA 3.26Å; G1150-C1154 WeakPolarHBondContact O-CA 3.28Å; G1151-C1154 PolarHBondContact O-N 3.31Å; C1154-W1165 PolarHBondContact O-NE1 2.74Å; C1154-W1165 VanDerWaalsContact O-NE1 3.16Å
1155D87Confident80.9Confident73 Ų7358.6 Ų58.639%0.3933%0.334SS..  trans-107.310.2-172.755.8-18.3000114.4N1127 G1150 N1153N1127-D1155 HydrophobicContact CB-CB 4.27Å; G1150-D1155 PolarHBondContact O-N 2.89Å; N1153-D1155 VanDerWaalsContact C-N 3.34Å; N1153-D1155 PolarHBondContact O-N 2.94Å
1156Q86.5Confident80.3Confident109 Ų10960.1 Ų60.151%0.50934%0.343SS..EExtended strand (participates in β ladder)trans-137173.4175.356.1178.48.500110.9S1149 G1150S1149-Q1156 CarbonylContact C-O 3.45Å; S1149-Q1156 WeakPolarHBondContact CA-O 2.97Å; G1150-Q1156 PolarHBondContact N-O 2.84Å; G1150-Q1156 WeakPolarHBondContact O-CG 3.28Å; G1150-Q1156 PolarHBondContact O-N 3.37Å; G1150-Q1156 VanDerWaalsContact O-N 3.15Å; G1150-Q1156 VanDerWaalsContact O-O 3.12Å
1157C83.1Confident80.3Confident30 Ų3064.5 Ų64.520%0.20336%0.359CS..EExtended strand (participates in β ladder)trans-72142.4177.7-64.30000112.1G1148 C1168G1148-C1157 CarbonylContact O-C 3.54Å; G1148-C1157 WeakPolarHBondContact O-CA 3.42Å; C1157-C1168 WeakPolarHBondContact CA-SG 3.37Å; C1157-C1168 HydrophobicContact CB-CB 3.78Å; C1157-C1168 WeakPolarHBondContact CB-SG 3.19Å; C1157-C1168 WeakPolarHBondContact SG-CB 3.4Å; C1157-C1168 CovalentContact SG-SG 2.04Å; C1157-C1168 PolarHBondContact SG-SG 2.8Å
1158A77.7Confident80.3Confident18 Ų1858.3 Ų58.315%0.14933%0.328CS..PPolyproline II helixtrans-63.8154.2177.500000112.6G1148 S1149 G1160 Y1161G1148-A1158 PolarHBondContact O-N 3.48Å; S1149-A1158 WeakPolarHBondContact O-CB 2.89Å; A1158-G1160 PolarHBondContact O-N 2.57Å; A1158-Y1161 HydrophobicContact CB-CD2 3.7Å; A1158-Y1161 HydrophobicContact CB-CE2 4.2Å; A1158-Y1161 HydrophobicContact CB-CG 4.46Å; A1158-Y1161 PolarHBondContact O-N 2.76Å
1159R74.4Confident80.3Confident137 Ų13764.6 Ų64.652%0.51736%0.356SS..THydrogen-bonded Turntrans-60.7123.2170-175.7163.9174.6-105-3.4108.7F1175 D1179R1159-F1175 HydrophobicContact CG-CE1 3.89Å; R1159-F1175 HydrophobicContact CG-CZ 3.5Å; R1159-D1179 VanDerWaalsContact CZ-CG 3.41Å; R1159-D1179 IonicContact CZ-OD1 2.79Å; R1159-D1179 IonicContact CZ-OD2 2.71Å; R1159-D1179 IonicContact NH1-OD1 2.67Å; R1159-D1179 PolarHBondContact NH1-OD1 3Å; R1159-D1179 IonicContact NH1-OD2 2.79Å; R1159-D1179 PolarHBondContact NH1-OD2 3.27Å; R1159-D1179 VanDerWaalsContact NH2-CG 3.27Å; R1159-D1179 IonicContact NH2-OD1 2.9Å; R1159-D1179 PolarHBondContact NH2-OD1 2.77Å; R1159-D1179 IonicContact NH2-OD2 2.68Å
1160G74.1Confident79.9Confident16 Ų1668.4 Ų68.417%0.16538%0.38CS..THydrogen-bonded Turntrans94.47.3-169.600000115.1A1158 P1170 C1171 F1175A1158-G1160 PolarHBondContact O-N 2.57Å; G1160-P1170 CarbonylContact O-C 3.47Å; G1160-P1170 WeakPolarHBondContact O-CA 3.49Å; G1160-C1171 WeakPolarHBondContact O-CB 3.17Å; G1160-C1171 PolarHBondContact O-N 3.06Å; G1160-C1171 PolarHBondContact O-SG 2.97Å; G1160-C1171 VanDerWaalsContact O-SG 3.42Å; G1160-F1175 VanDerWaalsContact CA-CD1 3.44Å; G1160-F1175 VanDerWaalsContact CA-CE1 3.46Å
1161Y82.2Confident79.6Confident72 Ų7270 Ų7028%0.28239%0.389SS..EExtended strand (participates in β ladder)trans-127.4149167.9-63.6-109.6000111.1A1158 C1168 E1169 P1170 C1171A1158-Y1161 HydrophobicContact CB-CD2 3.7Å; A1158-Y1161 HydrophobicContact CB-CE2 4.2Å; A1158-Y1161 HydrophobicContact CB-CG 4.46Å; A1158-Y1161 PolarHBondContact O-N 2.76Å; Y1161-C1168 HydrophobicContact CD1-CB 4.38Å; Y1161-E1169 CarbonylContact C-O 3.55Å; Y1161-E1169 VanDerWaalsContact CA-O 3.26Å; Y1161-E1169 WeakPolarHBondContact CA-O 3.38Å; Y1161-P1170 HydrophobicContact CD1-CB 4.02Å; Y1161-P1170 HydrophobicContact CE1-CB 3.93Å; Y1161-P1170 HydrophobicContact CE1-CG 4.44Å; Y1161-C1171 VanDerWaalsContact C-SG 3.59Å; Y1161-C1171 PolarHBondContact N-SG 3.14Å
1162T79.4Confident79.4Confident75 Ų7570.5 Ų70.546%0.4640%0.395SS..EExtended strand (participates in β ladder)trans-114.4172.8174.7860000109.9C1168 E1169 C1171T1162-C1168 CarbonylContact O-C 3.58Å; T1162-C1168 WeakPolarHBondContact O-CA 3.37Å; T1162-E1169 PolarHBondContact N-O 3.3Å; T1162-E1169 PolarHBondContact O-N 3.02Å; T1162-C1171 WeakPolarHBondContact CG2-SG 3.01Å
1163G78.4Confident79.2Confident54 Ų5473.1 Ų73.156%0.55740%0.399SS*.EExtended strand (participates in β ladder)trans114-158.2173.300000113.1
1164I81.3Confident78.6Confident145 Ų14576.3 Ų76.374%0.74442%0.424SS*.EExtended strand (participates in β ladder)trans-123108.3-178.3-58.6175000107H1167I1164-H1167 CarbonylContact C-O 3.23Å; I1164-H1167 PolarHBondContact N-O 3.33Å; I1164-H1167 VanDerWaalsContact N-O 3.11Å; I1164-H1167 CarbonylContact O-C 3.06Å; I1164-H1167 WeakPolarHBondContact O-CA 3.22Å; I1164-H1167 WeakPolarHBondContact O-CB 3.15Å; I1164-H1167 PolarHBondContact O-N 2.69Å; I1164-H1167 VanDerWaalsContact O-O 3.13Å
1165W77Confident78.1Confident54 Ų5478.8 Ų78.821%0.20543%0.434CS..THydrogen-bonded Turntrans-52.1133.3177.9-176.293000111N1127 L1129 S1149 C1154N1127-W1165 VanDerWaalsContact CG-CH2 3.45Å; N1127-W1165 WeakPolarHBondContact ND2-CH2 3.42Å; N1127-W1165 WeakPolarHBondContact OD1-CH2 3.37Å; L1129-W1165 HydrophobicContact CB-CH2 3.83Å; L1129-W1165 HydrophobicContact CB-CZ2 3.83Å; L1129-W1165 HydrophobicContact CD1-CH2 4.21Å; S1149-W1165 PolarHBondContact OG-NE1 3.41Å; C1154-W1165 PolarHBondContact O-NE1 2.74Å; C1154-W1165 VanDerWaalsContact O-NE1 3.16Å
1166P71.5Confident77.3Confident72 Ų7283.1 Ų83.147%0.46845%0.445SS..THydrogen-bonded Turncis-879.810.635.2-37000115.7
1167H81.4Confident76.6Confident156 Ų15682.9 Ų82.972%0.72245%0.448SS*.EExtended strand (participates in β ladder)trans-99.887.9178.6-65.611000110.8I1164I1164-H1167 CarbonylContact C-O 3.23Å; I1164-H1167 PolarHBondContact N-O 3.33Å; I1164-H1167 VanDerWaalsContact N-O 3.11Å; I1164-H1167 CarbonylContact O-C 3.06Å; I1164-H1167 WeakPolarHBondContact O-CA 3.22Å; I1164-H1167 WeakPolarHBondContact O-CB 3.15Å; I1164-H1167 PolarHBondContact O-N 2.69Å; I1164-H1167 VanDerWaalsContact O-O 3.13Å
1168C81.2Confident76.1Confident27 Ų2787.1 Ų87.118%0.18246%0.46CS..EExtended strand (participates in β ladder)trans-111.8127.5-176.5-56.90000111.7G1148 C1157 Y1161 T1162G1148-C1168 WeakPolarHBondContact O-CB 3.48Å; G1148-C1168 PolarHBondContact O-SG 2.79Å; G1148-C1168 VanDerWaalsContact O-SG 3.35Å; C1157-C1168 WeakPolarHBondContact CA-SG 3.37Å; C1157-C1168 HydrophobicContact CB-CB 3.78Å; C1157-C1168 WeakPolarHBondContact CB-SG 3.19Å; C1157-C1168 WeakPolarHBondContact SG-CB 3.4Å; C1157-C1168 CovalentContact SG-SG 2.04Å; C1157-C1168 PolarHBondContact SG-SG 2.8Å; Y1161-C1168 HydrophobicContact CD1-CB 4.38Å; T1162-C1168 CarbonylContact O-C 3.58Å; T1162-C1168 WeakPolarHBondContact O-CA 3.37Å
1169E78.9Confident75.9Confident138 Ų13887.8 Ų87.865%0.64546%0.46SS*.EExtended strand (participates in β ladder)trans-108.4135.4-179.7-65-170.6168.700111.7Y1161 T1162Y1161-E1169 CarbonylContact C-O 3.55Å; Y1161-E1169 VanDerWaalsContact CA-O 3.26Å; Y1161-E1169 WeakPolarHBondContact CA-O 3.38Å; T1162-E1169 PolarHBondContact N-O 3.3Å; T1162-E1169 PolarHBondContact O-N 3.02Å
1170P76.2Confident75.9Confident94 Ų9485.1 Ų85.161%0.6146%0.463SS*.EExtended strand (participates in β ladder)trans-68.4137.1-174.626.3-34.5000114.1G1160 Y1161 G1172G1160-P1170 CarbonylContact O-C 3.47Å; G1160-P1170 WeakPolarHBondContact O-CA 3.49Å; Y1161-P1170 HydrophobicContact CD1-CB 4.02Å; Y1161-P1170 HydrophobicContact CE1-CB 3.93Å; Y1161-P1170 HydrophobicContact CE1-CG 4.44Å; P1170-G1172 PolarHBondContact O-N 3.19Å
1171C73.1Confident76Confident44 Ų4489.6 Ų89.630%0.29748%0.482SS..  trans-67.17.5-175.7-65.80000116.5G1160 Y1161 T1162 F1175G1160-C1171 WeakPolarHBondContact O-CB 3.17Å; G1160-C1171 PolarHBondContact O-N 3.06Å; G1160-C1171 PolarHBondContact O-SG 2.97Å; G1160-C1171 VanDerWaalsContact O-SG 3.42Å; Y1161-C1171 VanDerWaalsContact C-SG 3.59Å; Y1161-C1171 PolarHBondContact N-SG 3.14Å; T1162-C1171 WeakPolarHBondContact CG2-SG 3.01Å; C1171-F1175 HydrophobicContact CB-CB 3.43Å; C1171-F1175 VanDerWaalsContact CB-CB 3.43Å; C1171-F1175 HydrophobicContact CB-CD1 4.48Å; C1171-F1175 HydrophobicContact CB-CD2 4.32Å; C1171-F1175 HydrophobicContact CB-CG 3.82Å
1172G75.2Confident75.5Confident38 Ų3887.7 Ų87.739%0.39248%0.477SS..Hα-helixtrans68.9-168.1179.300000115.9P1170P1170-G1172 PolarHBondContact O-N 3.19Å
1173E72.4Confident75.3Confident140 Ų14087.6 Ų87.665%0.65447%0.471SS*.Hα-helixtrans-66-36.4-176.1-75.4-172.3142.500114.4F1175 R1176 N1177E1173-F1175 VanDerWaalsContact C-N 3.32Å; E1173-F1175 PolarHBondContact O-N 3.23Å; E1173-R1176 PolarHBondContact O-N 3.03Å; E1173-R1176 VanDerWaalsContact O-N 3.15Å; E1173-N1177 PolarHBondContact O-N 3.31Å
1174C73.6Confident75.1Confident110 Ų11086.8 Ų86.874%0.74346%0.463SS*.Hα-helixtrans-60.6-42.5-174.3-174.80000111.8W1178C1174-W1178 PolarHBondContact O-N 3.13Å; C1174-W1178 VanDerWaalsContact O-N 3.17Å
1175F75.9Confident74.7Confident52 Ų5283.9 Ų83.923%0.22845%0.448CS..Hα-helixtrans-67.5-43.4175.4-169.9-83.6000112.2R1159 G1160 C1171 E1173 N1177 W1178 D1179R1159-F1175 HydrophobicContact CG-CE1 3.89Å; R1159-F1175 HydrophobicContact CG-CZ 3.5Å; G1160-F1175 VanDerWaalsContact CA-CD1 3.44Å; G1160-F1175 VanDerWaalsContact CA-CE1 3.46Å; C1171-F1175 HydrophobicContact CB-CB 3.43Å; C1171-F1175 VanDerWaalsContact CB-CB 3.43Å; C1171-F1175 HydrophobicContact CB-CD1 4.48Å; C1171-F1175 HydrophobicContact CB-CD2 4.32Å; C1171-F1175 HydrophobicContact CB-CG 3.82Å; E1173-F1175 VanDerWaalsContact C-N 3.32Å; E1173-F1175 PolarHBondContact O-N 3.23Å; F1175-N1177 VanDerWaalsContact C-N 3.34Å; F1175-N1177 PolarHBondContact O-N 3.2Å; F1175-W1178 HydrophobicContact CE2-CE3 4.32Å; F1175-W1178 HydrophobicContact CE2-CZ3 4.35Å; F1175-W1178 PolarHBondContact O-N 3.43Å; F1175-D1179 HydrophobicContact CD1-CB 4.35Å; F1175-D1179 HydrophobicContact CE1-CB 3.98Å; F1175-D1179 WeakPolarHBondContact O-CB 3.33Å; F1175-D1179 PolarHBondContact O-N 3.3Å
1176R69.1Low74.5Confident165 Ų16585.9 Ų85.962%0.62346%0.458SS*.Hα-helixtrans-60.8-40.6179.2-70.2-172.1-65.7-176.44.3112.4E1173 S1180E1173-R1176 PolarHBondContact O-N 3.03Å; E1173-R1176 VanDerWaalsContact O-N 3.15Å; R1176-S1180 VanDerWaalsContact O-CB 3.29Å; R1176-S1180 WeakPolarHBondContact O-CB 3.46Å; R1176-S1180 PolarHBondContact O-N 3.28Å
1177N73.1Confident74.5Confident104 Ų10487.3 Ų87.356%0.55646%0.462SS*.Hα-helixtrans-67-43.3175.9-74.2-5.2000112E1173 F1175 I1181E1173-N1177 PolarHBondContact O-N 3.31Å; F1175-N1177 VanDerWaalsContact C-N 3.34Å; F1175-N1177 PolarHBondContact O-N 3.2Å; N1177-I1181 WeakPolarHBondContact O-CD1 3.39Å; N1177-I1181 WeakPolarHBondContact O-CG1 3.46Å; N1177-I1181 PolarHBondContact O-N 3.26Å
1178W72.4Confident74.1Confident119 Ų11984.4 Ų84.445%0.45145%0.448SS..Hα-helixtrans-66-40.3178.2-177.378.3000112.5C1174 F1175 I1181 L1182C1174-W1178 PolarHBondContact O-N 3.13Å; C1174-W1178 VanDerWaalsContact O-N 3.17Å; F1175-W1178 HydrophobicContact CE2-CE3 4.32Å; F1175-W1178 HydrophobicContact CE2-CZ3 4.35Å; F1175-W1178 PolarHBondContact O-N 3.43Å; W1178-I1181 PolarHBondContact O-N 2.85Å; W1178-L1182 HydrophobicContact CD2-CD1 4.01Å; W1178-L1182 HydrophobicContact CE3-CD1 3.93Å; W1178-L1182 HydrophobicContact CH2-CD1 3.4Å; W1178-L1182 VanDerWaalsContact CH2-CD1 3.4Å; W1178-L1182 HydrophobicContact CZ2-CD1 3.46Å; W1178-L1182 VanDerWaalsContact CZ2-CD1 3.46Å; W1178-L1182 HydrophobicContact CZ2-CG 4.48Å; W1178-L1182 HydrophobicContact CZ3-CD1 3.64Å; W1178-L1182 PolarHBondContact O-N 2.92Å
1179D74Confident73.7Confident31 Ų3183.4 Ų83.417%0.16644%0.442CS..Hα-helixtrans-68.1-41.8177.3-162.12.5000112R1159 F1175 I1181 L1182 Q1183R1159-D1179 VanDerWaalsContact CZ-CG 3.41Å; R1159-D1179 IonicContact CZ-OD1 2.79Å; R1159-D1179 IonicContact CZ-OD2 2.71Å; R1159-D1179 IonicContact NH1-OD1 2.67Å; R1159-D1179 PolarHBondContact NH1-OD1 3Å; R1159-D1179 IonicContact NH1-OD2 2.79Å; R1159-D1179 PolarHBondContact NH1-OD2 3.27Å; R1159-D1179 VanDerWaalsContact NH2-CG 3.27Å; R1159-D1179 IonicContact NH2-OD1 2.9Å; R1159-D1179 PolarHBondContact NH2-OD1 2.77Å; R1159-D1179 IonicContact NH2-OD2 2.68Å; F1175-D1179 HydrophobicContact CD1-CB 4.35Å; F1175-D1179 HydrophobicContact CE1-CB 3.98Å; F1175-D1179 WeakPolarHBondContact O-CB 3.33Å; F1175-D1179 PolarHBondContact O-N 3.3Å; D1179-I1181 VanDerWaalsContact C-N 3.27Å; D1179-I1181 PolarHBondContact O-N 2.8Å; D1179-L1182 PolarHBondContact O-N 3.13Å; D1179-L1182 VanDerWaalsContact O-N 3.09Å; D1179-Q1183 WeakPolarHBondContact O-CG 3.42Å; D1179-Q1183 PolarHBondContact O-N 3.1Å
1180S72.8Confident73.5Confident82 Ų8278.7 Ų78.757%0.57342%0.424SS*.Hα-helixtrans-56.5-40.1174.2177.80000112.6R1176 G1184R1176-S1180 VanDerWaalsContact O-CB 3.29Å; R1176-S1180 WeakPolarHBondContact O-CB 3.46Å; R1176-S1180 PolarHBondContact O-N 3.28Å; S1180-G1184 PolarHBondContact O-N 3.04Å
1181I76.5Confident73.4Confident110 Ų11080.4 Ų80.456%0.56442%0.419SS*.Hα-helixtrans-65.3-42.4175.8-67.8163.8000111.4N1177 W1178 D1179 G1184 L1185N1177-I1181 WeakPolarHBondContact O-CD1 3.39Å; N1177-I1181 WeakPolarHBondContact O-CG1 3.46Å; N1177-I1181 PolarHBondContact O-N 3.26Å; W1178-I1181 PolarHBondContact O-N 2.85Å; D1179-I1181 VanDerWaalsContact C-N 3.27Å; D1179-I1181 PolarHBondContact O-N 2.8Å; I1181-G1184 PolarHBondContact O-N 2.79Å; I1181-L1185 HydrophobicContact CG2-CD1 4.25Å; I1181-L1185 PolarHBondContact O-N 2.83Å; I1181-L1185 VanDerWaalsContact O-N 3.1Å
1182L72.8Confident73.4Confident32 Ų3282.1 Ų82.117%0.16842%0.424CS..Hα-helixtrans-69.7-38.9179.6-77.2178.9000113.3W1178 D1179 L1185 K1186W1178-L1182 HydrophobicContact CD2-CD1 4.01Å; W1178-L1182 HydrophobicContact CE3-CD1 3.93Å; W1178-L1182 HydrophobicContact CH2-CD1 3.4Å; W1178-L1182 VanDerWaalsContact CH2-CD1 3.4Å; W1178-L1182 HydrophobicContact CZ2-CD1 3.46Å; W1178-L1182 VanDerWaalsContact CZ2-CD1 3.46Å; W1178-L1182 HydrophobicContact CZ2-CG 4.48Å; W1178-L1182 HydrophobicContact CZ3-CD1 3.64Å; W1178-L1182 PolarHBondContact O-N 2.92Å; D1179-L1182 PolarHBondContact O-N 3.13Å; D1179-L1182 VanDerWaalsContact O-N 3.09Å; L1182-L1185 PolarHBondContact O-N 2.04Å; L1182-K1186 WeakPolarHBondContact O-CB 3.41Å; L1182-K1186 PolarHBondContact O-N 3.25Å; L1182-K1186 VanDerWaalsContact O-N 3.09Å
1183Q73.7Confident73.2Confident73 Ų7382.4 Ų82.434%0.34142%0.416SS..Hα-helixtrans-66.2-43.4173.9-62.1-66.10.300110.7D1179 L1185 K1186 D1187D1179-Q1183 WeakPolarHBondContact O-CG 3.42Å; D1179-Q1183 PolarHBondContact O-N 3.1Å; Q1183-L1185 VanDerWaalsContact C-N 3.32Å; Q1183-L1185 PolarHBondContact O-N 2.93Å; Q1183-K1186 CarbonylContact O-C 3.58Å; Q1183-K1186 WeakPolarHBondContact O-CA 3.04Å; Q1183-K1186 WeakPolarHBondContact O-CB 3.43Å; Q1183-K1186 PolarHBondContact O-N 3.16Å; Q1183-D1187 WeakPolarHBondContact O-CB 3.43Å; Q1183-D1187 VanDerWaalsContact O-CG 3.27Å; Q1183-D1187 PolarHBondContact O-N 3.35Å
1184G74.1Confident73Confident37 Ų3783 Ų8338%0.38141%0.413SS..Hα-helixtrans-55.8-43.6175.300000113.4S1180 I1181 K1186 D1187 E1188S1180-G1184 PolarHBondContact O-N 3.04Å; I1181-G1184 PolarHBondContact O-N 2.79Å; G1184-K1186 PolarHBondContact O-N 2.66Å; G1184-D1187 PolarHBondContact O-N 2.93Å; G1184-E1188 WeakPolarHBondContact O-CB 3.31Å; G1184-E1188 PolarHBondContact O-N 2.81Å
1185L72.9Confident72.7Confident83 Ų8381.2 Ų81.244%0.43540%0.396SS..Hα-helixtrans-63.3-37.2173.7-88.9158.9000113.4I1181 L1182 Q1183 A1189 L1226I1181-L1185 HydrophobicContact CG2-CD1 4.25Å; I1181-L1185 PolarHBondContact O-N 2.83Å; I1181-L1185 VanDerWaalsContact O-N 3.1Å; L1182-L1185 PolarHBondContact O-N 2.04Å; Q1183-L1185 VanDerWaalsContact C-N 3.32Å; Q1183-L1185 PolarHBondContact O-N 2.93Å; L1185-A1189 VanDerWaalsContact O-CB 3.3Å; L1185-A1189 WeakPolarHBondContact O-CB 3.45Å; L1185-A1189 PolarHBondContact O-N 3.32Å; L1185-L1226 HydrophobicContact CB-CD1 4.32Å; L1185-L1226 HydrophobicContact CB-CD2 4.32Å
1186K73Confident72.2Confident97 Ų9779.5 Ų79.542%0.42239%0.391SS..Hα-helixtrans-72.8-38.4178.7-177.5-168.7169.3-158.80112.1L1182 Q1183 G1184 S1190L1182-K1186 WeakPolarHBondContact O-CB 3.41Å; L1182-K1186 PolarHBondContact O-N 3.25Å; L1182-K1186 VanDerWaalsContact O-N 3.09Å; Q1183-K1186 CarbonylContact O-C 3.58Å; Q1183-K1186 WeakPolarHBondContact O-CA 3.04Å; Q1183-K1186 WeakPolarHBondContact O-CB 3.43Å; Q1183-K1186 PolarHBondContact O-N 3.16Å; G1184-K1186 PolarHBondContact O-N 2.66Å; K1186-S1190 WeakPolarHBondContact O-CB 3.06Å; K1186-S1190 PolarHBondContact O-N 2.03Å; K1186-S1190 PolarHBondContact O-OG 3.3Å
1187D71.5Confident71.9Confident102 Ų10274 Ų7455%0.54538%0.378SS..Hα-helixtrans-69.4-42.6177.1-66-20.9000110.2Q1183 G1184 S1190 R1191Q1183-D1187 WeakPolarHBondContact O-CB 3.43Å; Q1183-D1187 VanDerWaalsContact O-CG 3.27Å; Q1183-D1187 PolarHBondContact O-N 3.35Å; G1184-D1187 PolarHBondContact O-N 2.93Å; D1187-S1190 PolarHBondContact O-N 2.91Å; D1187-R1191 WeakPolarHBondContact O-CB 2.77Å; D1187-R1191 PolarHBondContact O-N 2.94Å
1188E73.8Confident71.4Confident94 Ų9471.8 Ų71.844%0.43937%0.366SS..Hα-helixtrans-63.8-43.2174.3-178.8148.7-114.500112.7G1184 S1190 R1191 L1192G1184-E1188 WeakPolarHBondContact O-CB 3.31Å; G1184-E1188 PolarHBondContact O-N 2.81Å; E1188-S1190 VanDerWaalsContact C-N 3.27Å; E1188-S1190 PolarHBondContact O-N 3.07Å; E1188-R1191 PolarHBondContact O-N 2.85Å; E1188-R1191 IonicContact OE1-CZ 3.3Å; E1188-R1191 IonicContact OE1-NH1 3.94Å; E1188-R1191 IonicContact OE1-NH2 3.58Å; E1188-R1191 PolarHBondContact OE1-NH2 3.15Å; E1188-L1192 HydrophobicContact CG-CD1 4.24Å; E1188-L1192 WeakPolarHBondContact O-CB 3.41Å; E1188-L1192 PolarHBondContact O-N 2.89Å
1189A73.2Confident70.7Confident7 Ų768.7 Ų68.76%0.05836%0.357CS..Hα-helixtrans-63.4-32.6173.600000112.7L1185 Q1193 L1226L1185-A1189 VanDerWaalsContact O-CB 3.3Å; L1185-A1189 WeakPolarHBondContact O-CB 3.45Å; L1185-A1189 PolarHBondContact O-N 3.32Å; A1189-Q1193 PolarHBondContact O-N 3.38Å; A1189-L1226 HydrophobicContact CB-CD1 4.18Å
1190S74.1Confident69.8Low38 Ų3870 Ų7027%0.26637%0.372SS..Hα-helixtrans-76.3-38.2177-58.30000112.1K1186 D1187 E1188 Q1193 Y1194K1186-S1190 WeakPolarHBondContact O-CB 3.06Å; K1186-S1190 PolarHBondContact O-N 2.03Å; K1186-S1190 PolarHBondContact O-OG 3.3Å; D1187-S1190 PolarHBondContact O-N 2.91Å; E1188-S1190 VanDerWaalsContact C-N 3.27Å; E1188-S1190 PolarHBondContact O-N 3.07Å; S1190-Q1193 PolarHBondContact O-N 2.97Å; S1190-Y1194 PolarHBondContact O-N 2.82Å; S1190-Y1194 VanDerWaalsContact O-N 3.09Å
1191R74.2Confident68.9Low131 Ų13172.7 Ų72.749%0.49438%0.38SS..Hα-helixtrans-61.1-51.2172.5-169.9-170.969.9-138.3-9.2110.8D1187 E1188 Q1193 Y1194 D1195D1187-R1191 WeakPolarHBondContact O-CB 2.77Å; D1187-R1191 PolarHBondContact O-N 2.94Å; E1188-R1191 PolarHBondContact O-N 2.85Å; E1188-R1191 IonicContact OE1-CZ 3.3Å; E1188-R1191 IonicContact OE1-NH1 3.94Å; E1188-R1191 IonicContact OE1-NH2 3.58Å; E1188-R1191 PolarHBondContact OE1-NH2 3.15Å; R1191-Q1193 PolarHBondContact O-N 2.69Å; R1191-Y1194 WeakPolarHBondContact O-CB 3.35Å; R1191-Y1194 PolarHBondContact O-N 3.42Å; R1191-D1195 IonicContact NE-OD2 3.08Å; R1191-D1195 PolarHBondContact O-N 2.97Å
1192L72.8Confident67.6Low79 Ų7972 Ų7241%0.41438%0.381SS..Hα-helixtrans-57.5-32.3176.3-79.7165.1000113.1E1188 S1196 L1219E1188-L1192 HydrophobicContact CG-CD1 4.24Å; E1188-L1192 WeakPolarHBondContact O-CB 3.41Å; E1188-L1192 PolarHBondContact O-N 2.89Å; L1192-S1196 WeakPolarHBondContact O-CB 3.23Å; L1192-S1196 PolarHBondContact O-N 3.21Å; L1192-L1219 HydrophobicContact CB-CD1 3.99Å; L1192-L1219 HydrophobicContact CB-CD2 3.87Å; L1192-L1219 HydrophobicContact CD1-CD2 4.29Å; L1192-L1219 WeakPolarHBondContact O-CD1 3.31Å
1193Q70.9Confident66.4Low45 Ų4573.9 Ų73.921%0.2141%0.409CS..Hα-helixtrans-71.6-39.5175.6-168.3175.622.200112.2A1189 S1190 R1191 S1196 S1197 K1223A1189-Q1193 PolarHBondContact O-N 3.38Å; S1190-Q1193 PolarHBondContact O-N 2.97Å; R1191-Q1193 PolarHBondContact O-N 2.69Å; Q1193-S1196 PolarHBondContact O-N 2.85Å; Q1193-S1197 PolarHBondContact O-N 3.23Å; Q1193-S1197 VanDerWaalsContact O-N 3.1Å; Q1193-S1197 PolarHBondContact O-OG 2.96Å; Q1193-K1223 VanDerWaalsContact OE1-CD 3.31Å
1194Y69.2Low65.2Low151 Ų15177.5 Ų77.559%0.59243%0.427SS*.Hα-helixtrans-69.1-44.4175.7-179.6-97.9000112.2S1190 R1191 S1196 S1197 N1198S1190-Y1194 PolarHBondContact O-N 2.82Å; S1190-Y1194 VanDerWaalsContact O-N 3.09Å; R1191-Y1194 WeakPolarHBondContact O-CB 3.35Å; R1191-Y1194 PolarHBondContact O-N 3.42Å; Y1194-S1196 PolarHBondContact O-N 3.48Å; Y1194-S1197 PolarHBondContact O-N 3.24Å; Y1194-S1197 PolarHBondContact O-OG 3.42Å; Y1194-N1198 WeakPolarHBondContact CE1-ND2 3.1Å; Y1194-N1198 PolarHBondContact O-N 2.92Å; Y1194-N1198 PolarHBondContact O-OD1 2.67Å; Y1194-N1198 PolarHBondContact OH-ND2 3Å
1195D67.2Low63.9Low74 Ų7477.6 Ų77.640%0.39642%0.422SS..Hα-helixtrans-59.5-40.2174.1-58.7-21.7000110R1191 I1199R1191-D1195 IonicContact NE-OD2 3.08Å; R1191-D1195 PolarHBondContact O-N 2.97Å; D1195-I1199 WeakPolarHBondContact O-CG1 3.33Å
1196S64.6Low62.8Low16 Ų1683.3 Ų83.311%0.11244%0.444CS..Hα-helixtrans-67.1-32.6176.8-175.60000114.2L1192 Q1193 Y1194L1192-S1196 WeakPolarHBondContact O-CB 3.23Å; L1192-S1196 PolarHBondContact O-N 3.21Å; Q1193-S1196 PolarHBondContact O-N 2.85Å; Y1194-S1196 PolarHBondContact O-N 3.48Å
1197S63.9Low62Low50 Ų5085 Ų8535%0.3546%0.456SS..Hα-helixtrans-77-33.9179.555.50000112.3Q1193 Y1194Q1193-S1197 PolarHBondContact O-N 3.23Å; Q1193-S1197 VanDerWaalsContact O-N 3.1Å; Q1193-S1197 PolarHBondContact O-OG 2.96Å; Y1194-S1197 PolarHBondContact O-N 3.24Å; Y1194-S1197 PolarHBondContact O-OG 3.42Å
1198N62Low61.6Low57 Ų5784.1 Ų84.131%0.30545%0.446SS..Hα-helixtrans-86.6-6.4-172.9-64.511.1000113.9Y1194 A1200 D1201Y1194-N1198 WeakPolarHBondContact CE1-ND2 3.1Å; Y1194-N1198 PolarHBondContact O-N 2.92Å; Y1194-N1198 PolarHBondContact O-OD1 2.67Å; Y1194-N1198 PolarHBondContact OH-ND2 3Å; N1198-A1200 PolarHBondContact O-N 2.83Å; N1198-A1200 VanDerWaalsContact O-N 3.16Å; N1198-D1201 PolarHBondContact O-N 2.9Å
1199I57.5Low61.1Low54 Ų5483.5 Ų83.528%0.27745%0.445SS..G310 helixtrans-61.4-19.5170-73.1164.9000111.9D1195 D1201 T1202 F1212D1195-I1199 WeakPolarHBondContact O-CG1 3.33Å; I1199-D1201 PolarHBondContact O-N 2.81Å; I1199-T1202 PolarHBondContact O-N 2.98Å; I1199-T1202 PolarHBondContact O-OG1 3.17Å; I1199-T1202 VanDerWaalsContact O-OG1 3.06Å; I1199-F1212 HydrophobicContact CD1-CD1 4.22Å; I1199-F1212 HydrophobicContact CD1-CE1 3.53Å; I1199-F1212 HydrophobicContact CD1-CZ 4.04Å; I1199-F1212 HydrophobicContact CG2-CD2 4.33Å; I1199-F1212 HydrophobicContact CG2-CE1 4.04Å; I1199-F1212 HydrophobicContact CG2-CE2 3.79Å; I1199-F1212 HydrophobicContact CG2-CZ 3.65Å
1200A55.2Low60.9Low57 Ų5789 Ų8947%0.47147%0.47SS..G310 helixtrans-58.6-35.3170.700000112.9N1198N1198-A1200 PolarHBondContact O-N 2.83Å; N1198-A1200 VanDerWaalsContact O-N 3.16Å
1201D53.7Low60.6Low140 Ų14091.1 Ų91.175%0.74948%0.475SS*.G310 helixtrans-82.8-11-176.1-64.3-33.5000113.2N1198 I1199 G1203N1198-D1201 PolarHBondContact O-N 2.9Å; I1199-D1201 PolarHBondContact O-N 2.81Å; D1201-G1203 PolarHBondContact O-N 2.87Å
1202T50.1Low60.2Low95 Ų9587.7 Ų87.758%0.58346%0.464SS*.SBendtrans-86.322.8-178.9680000113.9I1199 M1204I1199-T1202 PolarHBondContact O-N 2.98Å; I1199-T1202 PolarHBondContact O-OG1 3.17Å; I1199-T1202 VanDerWaalsContact O-OG1 3.06Å; T1202-M1204 PolarHBondContact O-N 3.33Å
1203G46.5Very low60.2Low72 Ų7289 Ų8974%0.74247%0.467SS*.SBendtrans70.1-12167.500000118.5D1201D1201-G1203 PolarHBondContact O-N 2.87Å
1204M48.4Very low60.4Low148 Ų14891.3 Ų91.373%0.72948%0.476SS*.  trans-103.312.4-177.3-68.3-147.1-70.100115T1202 F1206T1202-M1204 PolarHBondContact O-N 3.33Å; M1204-F1206 PolarHBondContact O-N 2.97Å
1205S47.4Very low60.5Low39 Ų3986.4 Ų86.427%0.27346%0.459SS..G310 helixtrans-68.9-27.3-164.554.50000116.2I1207 Y1208S1205-I1207 PolarHBondContact O-N 3.41Å; S1205-Y1208 PolarHBondContact O-N 2.04Å
1206F48.7Very low60.6Low204 Ų20486.4 Ų86.490%0.89546%0.457SS*.G310 helixtrans-65.3-14-168.4-149.4-90.5000115.7M1204M1204-F1206 PolarHBondContact O-N 2.97Å
1207I56.6Low61.2Low132 Ų13290.7 Ų90.768%0.67748%0.479SS*.G310 helixtrans-98.2-23.8-175.7-61.2179.1000113.2S1205S1205-I1207 PolarHBondContact O-N 3.41Å
1208Y63.1Low61.7Low83 Ų8391.9 Ų91.933%0.32548%0.478SS..THydrogen-bonded Turntrans-124.58.6-167.3-60.3-69000114.6S1205 E1210 E1211 F1212S1205-Y1208 PolarHBondContact O-N 2.04Å; Y1208-E1210 PolarHBondContact O-N 3.47Å; Y1208-E1210 VanDerWaalsContact O-N 3.08Å; Y1208-E1211 PolarHBondContact O-N 3.16Å; Y1208-F1212 WeakPolarHBondContact O-CD2 3.45Å; Y1208-F1212 PolarHBondContact O-N 2.04Å; Y1208-F1212 VanDerWaalsContact O-N 3.08Å
1209D63.1Low62.2Low82 Ų8289.7 Ų89.744%0.43947%0.466SS..Hα-helixtrans-53.8-31.8-174.8-16261.4000113.9K1213D1209-K1213 PolarHBondContact O-N 3.03Å; D1209-K1213 VanDerWaalsContact O-N 3.17Å; D1209-K1213 IonicContact OD2-NZ 3.24Å; D1209-K1213 PolarHBondContact OD2-NZ 2.9Å
1210E69.7Low63Low123 Ų12389.9 Ų89.958%0.57547%0.472SS*.Hα-helixtrans-79.8-26.1-179.1-141.1-106.2161.800112.8Y1208 K1214Y1208-E1210 PolarHBondContact O-N 3.47Å; Y1208-E1210 VanDerWaalsContact O-N 3.08Å; E1210-K1214 WeakPolarHBondContact O-CD 3.48Å; E1210-K1214 WeakPolarHBondContact O-CG 3.26Å; E1210-K1214 IonicContact OE1-NZ 3.63Å; E1210-K1214 PolarHBondContact OE1-NZ 2.91Å; E1210-K1214 IonicContact OE2-NZ 3.29Å; E1210-K1214 PolarHBondContact OE2-NZ 3.29Å
1211E67Low64Low81 Ų8191.7 Ų91.738%0.37947%0.474SS..Hα-helixtrans-79.3-40.8169.9-76.3114.3157.600112.1Y1208 K1214 I1215Y1208-E1211 PolarHBondContact O-N 3.16Å; E1211-K1214 WeakPolarHBondContact O-CB 3.05Å; E1211-K1214 PolarHBondContact O-N 3.09Å; E1211-I1215 PolarHBondContact O-N 2.91Å
1212F67.4Low64.8Low60 Ų6086.9 Ų86.926%0.26345%0.448SS..Hα-helixtrans-62.3-45.5177.1-76.7-64.2000112.2I1199 Y1208 K1214 I1215 E1216I1199-F1212 HydrophobicContact CD1-CD1 4.22Å; I1199-F1212 HydrophobicContact CD1-CE1 3.53Å; I1199-F1212 HydrophobicContact CD1-CZ 4.04Å; I1199-F1212 HydrophobicContact CG2-CD2 4.33Å; I1199-F1212 HydrophobicContact CG2-CE1 4.04Å; I1199-F1212 HydrophobicContact CG2-CE2 3.79Å; I1199-F1212 HydrophobicContact CG2-CZ 3.65Å; Y1208-F1212 WeakPolarHBondContact O-CD2 3.45Å; Y1208-F1212 PolarHBondContact O-N 2.04Å; Y1208-F1212 VanDerWaalsContact O-N 3.08Å; F1212-K1214 PolarHBondContact O-N 3.15Å; F1212-K1214 VanDerWaalsContact O-N 3.11Å; F1212-I1215 HydrophobicContact CD1-CD1 4.41Å; F1212-I1215 WeakPolarHBondContact O-CB 3.07Å; F1212-I1215 PolarHBondContact O-N 3.41Å; F1212-E1216 PolarHBondContact O-N 2.85Å
1213K72.1Confident65.7Low106 Ų10686.4 Ų86.446%0.46144%0.438SS..Hα-helixtrans-54.7-31.2171.4-83.8171.2178132.60113.7D1209 N1217D1209-K1213 PolarHBondContact O-N 3.03Å; D1209-K1213 VanDerWaalsContact O-N 3.17Å; D1209-K1213 IonicContact OD2-NZ 3.24Å; D1209-K1213 PolarHBondContact OD2-NZ 2.9Å; K1213-N1217 WeakPolarHBondContact O-CB 3.38Å; K1213-N1217 PolarHBondContact O-N 3.18Å; K1213-N1217 VanDerWaalsContact O-N 3.16Å; K1213-N1217 PolarHBondContact O-ND2 2.86Å
1214K76.1Confident66.9Low93 Ų9389.7 Ų89.740%0.40443%0.432SS..Hα-helixtrans-76.8-27.1177.4-74.4165.7-175.1158.20112.9E1210 E1211 F1212E1210-K1214 WeakPolarHBondContact O-CD 3.48Å; E1210-K1214 WeakPolarHBondContact O-CG 3.26Å; E1210-K1214 IonicContact OE1-NZ 3.63Å; E1210-K1214 PolarHBondContact OE1-NZ 2.91Å; E1210-K1214 IonicContact OE2-NZ 3.29Å; E1210-K1214 PolarHBondContact OE2-NZ 3.29Å; E1211-K1214 WeakPolarHBondContact O-CB 3.05Å; E1211-K1214 PolarHBondContact O-N 3.09Å; F1212-K1214 PolarHBondContact O-N 3.15Å; F1212-K1214 VanDerWaalsContact O-N 3.11Å
1215I70Confident67.9Low48 Ų4885.6 Ų85.625%0.24641%0.41CS..Hα-helixtrans-75.3-49.1173.1-66169000109.4E1211 F1212 N1217 K1218 L1219E1211-I1215 PolarHBondContact O-N 2.91Å; F1212-I1215 HydrophobicContact CD1-CD1 4.41Å; F1212-I1215 WeakPolarHBondContact O-CB 3.07Å; F1212-I1215 PolarHBondContact O-N 3.41Å; I1215-N1217 PolarHBondContact O-N 2.77Å; I1215-K1218 WeakPolarHBondContact O-CB 3.49Å; I1215-K1218 PolarHBondContact O-N 2.95Å; I1215-L1219 HydrophobicContact CG2-CD1 3.82Å; I1215-L1219 HydrophobicContact CG2-CG 4.35Å; I1215-L1219 PolarHBondContact O-N 3.46Å
1216E69Low68.9Low74 Ų7485.1 Ų85.135%0.34641%0.405SS..Hα-helixtrans-56.6-46.3-179.8-162.3-179.3-147.300112.4F1212 K1218 L1219 S1220F1212-E1216 PolarHBondContact O-N 2.85Å; E1216-K1218 PolarHBondContact O-N 3.42Å; E1216-L1219 PolarHBondContact O-N 2.92Å; E1216-S1220 PolarHBondContact O-N 2.99Å
1217N77.7Confident69.5Low107 Ų10779.4 Ų79.457%0.57240%0.395SS*.Hα-helixtrans-60.8-39.9174.2-81.4-60.4000113K1213 I1215 S1220 D1221K1213-N1217 WeakPolarHBondContact O-CB 3.38Å; K1213-N1217 PolarHBondContact O-N 3.18Å; K1213-N1217 VanDerWaalsContact O-N 3.16Å; K1213-N1217 PolarHBondContact O-ND2 2.86Å; I1215-N1217 PolarHBondContact O-N 2.77Å; N1217-S1220 WeakPolarHBondContact O-CB 3.5Å; N1217-S1220 PolarHBondContact O-N 3.49Å; N1217-D1221 PolarHBondContact O-N 2.97Å; N1217-D1221 VanDerWaalsContact O-N 3.11Å
1218K74.6Confident69.8Low75 Ų7579.2 Ų79.233%0.32639%0.391SS..Hα-helixtrans-69.6-39.4177.7-83.3-172.6169.5-1650112.7I1215 E1216 S1220 D1221 I1222 L1246I1215-K1218 WeakPolarHBondContact O-CB 3.49Å; I1215-K1218 PolarHBondContact O-N 2.95Å; E1216-K1218 PolarHBondContact O-N 3.42Å; K1218-S1220 VanDerWaalsContact C-N 3.29Å; K1218-D1221 PolarHBondContact O-N 3.49Å; K1218-I1222 WeakPolarHBondContact O-CG1 3.28Å; K1218-I1222 PolarHBondContact O-N 3.27Å; K1218-L1246 HydrophobicContact CD-CD1 3.53Å
1219L72.9Confident69.4Low10 Ų1079.9 Ų79.95%0.05241%0.414CS..Hα-helixtrans-64-38.3175.5-70.9169.3000110.8L1192 I1215 E1216 I1222 K1223L1192-L1219 HydrophobicContact CB-CD1 3.99Å; L1192-L1219 HydrophobicContact CB-CD2 3.87Å; L1192-L1219 HydrophobicContact CD1-CD2 4.29Å; L1192-L1219 WeakPolarHBondContact O-CD1 3.31Å; I1215-L1219 HydrophobicContact CG2-CD1 3.82Å; I1215-L1219 HydrophobicContact CG2-CG 4.35Å; I1215-L1219 PolarHBondContact O-N 3.46Å; E1216-L1219 PolarHBondContact O-N 2.92Å; L1219-I1222 PolarHBondContact O-N 3.37Å; L1219-K1223 VanDerWaalsContact O-CB 3.32Å; L1219-K1223 WeakPolarHBondContact O-CB 3.34Å; L1219-K1223 PolarHBondContact O-N 2.93Å
1220S74.8Confident69.3Low58 Ų5882.9 Ų82.941%0.40643%0.43SS..Hα-helixtrans-59-46.4172-167.10000112.5E1216 N1217 K1218 I1222 K1223 K1224E1216-S1220 PolarHBondContact O-N 2.99Å; N1217-S1220 WeakPolarHBondContact O-CB 3.5Å; N1217-S1220 PolarHBondContact O-N 3.49Å; K1218-S1220 VanDerWaalsContact C-N 3.29Å; S1220-I1222 PolarHBondContact O-N 3.35Å; S1220-K1223 PolarHBondContact O-N 3.44Å; S1220-K1224 WeakPolarHBondContact O-CB 3.48Å; S1220-K1224 PolarHBondContact O-N 2.89Å
1221D76.1Confident68.7Low96 Ų9678.9 Ų78.951%0.51341%0.414SS..Hα-helixtrans-62.5-41.3175.8-84.9-19.2000112.9N1217 K1218 K1224 Q1225N1217-D1221 PolarHBondContact O-N 2.97Å; N1217-D1221 VanDerWaalsContact O-N 3.11Å; K1218-D1221 PolarHBondContact O-N 3.49Å; D1221-K1224 PolarHBondContact O-N 2.73Å; D1221-Q1225 WeakPolarHBondContact O-CG 3.47Å; D1221-Q1225 PolarHBondContact O-N 2.74Å
1222I69.8Low68.6Low39 Ų3978.8 Ų78.820%0.242%0.419CS..Hα-helixtrans-64.8-46.3177-68.5167.7000110.6K1218 L1219 S1220 K1224 Q1225 L1226 L1239K1218-I1222 WeakPolarHBondContact O-CG1 3.28Å; K1218-I1222 PolarHBondContact O-N 3.27Å; L1219-I1222 PolarHBondContact O-N 3.37Å; S1220-I1222 PolarHBondContact O-N 3.35Å; I1222-K1224 PolarHBondContact O-N 3.3Å; I1222-Q1225 PolarHBondContact O-N 3.34Å; I1222-Q1225 VanDerWaalsContact O-N 3.15Å; I1222-L1226 HydrophobicContact CG2-CD1 3.9Å; I1222-L1226 HydrophobicContact CG2-CG 4.39Å; I1222-L1226 WeakPolarHBondContact O-CG 3.48Å; I1222-L1226 PolarHBondContact O-N 3.27Å; I1222-L1239 HydrophobicContact CB-CD2 4.45Å; I1222-L1239 HydrophobicContact CG1-CD2 3.94Å; I1222-L1239 HydrophobicContact CG2-CD2 4.19Å
1223K68.1Low68.4Low85 Ų8580.3 Ų80.337%0.3744%0.437SS..Hα-helixtrans-57.8-37.7176.3-170.9178.6-164.8172.90111.8Q1193 L1219 S1220 A1227Q1193-K1223 VanDerWaalsContact OE1-CD 3.31Å; L1219-K1223 VanDerWaalsContact O-CB 3.32Å; L1219-K1223 WeakPolarHBondContact O-CB 3.34Å; L1219-K1223 PolarHBondContact O-N 2.93Å; S1220-K1223 PolarHBondContact O-N 3.44Å; K1223-A1227 PolarHBondContact O-N 2.75Å
1224K72.5Confident68.3Low141 Ų14179.5 Ų79.561%0.61344%0.438SS*.Hα-helixtrans-67.6-43175.9-163.5177-176.3-179.70112.3S1220 D1221 I1222 A1227S1220-K1224 WeakPolarHBondContact O-CB 3.48Å; S1220-K1224 PolarHBondContact O-N 2.89Å; D1221-K1224 PolarHBondContact O-N 2.73Å; I1222-K1224 PolarHBondContact O-N 3.3Å; K1224-A1227 PolarHBondContact O-N 2.8Å
1225Q69.8Low67.7Low61 Ų6177 Ų7729%0.28543%0.43SS..Hα-helixtrans-66.4-38.5176.2-70.2176.140.900112.7D1221 I1222 A1227 E1228D1221-Q1225 WeakPolarHBondContact O-CG 3.47Å; D1221-Q1225 PolarHBondContact O-N 2.74Å; I1222-Q1225 PolarHBondContact O-N 3.34Å; I1222-Q1225 VanDerWaalsContact O-N 3.15Å; Q1225-A1227 PolarHBondContact O-N 3.05Å; Q1225-E1228 PolarHBondContact O-N 3.47Å
1226L67.2Low67.5Low30 Ų3078.2 Ų78.216%0.15744%0.44CS..Hα-helixtrans-68.6-17.5176.1-70.7171.7000113.6L1185 A1189 I1222L1185-L1226 HydrophobicContact CB-CD1 4.32Å; L1185-L1226 HydrophobicContact CB-CD2 4.32Å; A1189-L1226 HydrophobicContact CB-CD1 4.18Å; I1222-L1226 HydrophobicContact CG2-CD1 3.9Å; I1222-L1226 HydrophobicContact CG2-CG 4.39Å; I1222-L1226 WeakPolarHBondContact O-CG 3.48Å; I1222-L1226 PolarHBondContact O-N 3.27Å
1227A62.8Low67.7Low83 Ų8379.3 Ų79.369%0.68645%0.448SS*.THydrogen-bonded Turntrans-83.8-15.8176.100000113.7K1223 K1224 Q1225K1223-A1227 PolarHBondContact O-N 2.75Å; K1224-A1227 PolarHBondContact O-N 2.8Å; Q1225-A1227 PolarHBondContact O-N 3.05Å
1228E62Low67.5Low128 Ų12879.9 Ų79.960%0.59845%0.445SS*.SBendtrans-87.3122.9-178.5-69.5-175.7-173.700111.5Q1225 N1230 V1231Q1225-E1228 PolarHBondContact O-N 3.47Å; E1228-N1230 PolarHBondContact O-N 3.01Å; E1228-V1231 WeakPolarHBondContact O-CG2 2.84Å
1229A55.4Low67.1Low97 Ų9777.7 Ų77.780%0.80244%0.437SS*.SBendtrans-66.51.4-168.200000116.7
1230N59.7Low67Low146 Ų14684.1 Ų84.178%0.78146%0.464SS*.  trans-117.643.6-173.9-75.8-26.2000112.7E1228 T1232E1228-N1230 PolarHBondContact O-N 3.01Å; N1230-T1232 PolarHBondContact O-N 3.08Å
1231V57.1Low67.1Low38 Ų3884.4 Ų84.423%0.2347%0.471CS..  trans-65.6101.1175.9-172.50000110.3E1228 V1235 V1236E1228-V1231 WeakPolarHBondContact O-CG2 2.84Å; V1231-V1235 HydrophobicContact CG1-CB 4.25Å; V1231-V1235 HydrophobicContact CG1-CG1 4.15Å; V1231-V1236 HydrophobicContact CG1-CG2 3.83Å
1232T65.1Low66.9Low79 Ų7984.2 Ų84.249%0.48547%0.467SS..  trans-85.9164.7173.7640000111.2N1230 D1234 V1235 V1236N1230-T1232 PolarHBondContact O-N 3.08Å; T1232-D1234 PolarHBondContact O-N 3.41Å; T1232-V1235 WeakPolarHBondContact O-CB 3.27Å; T1232-V1235 PolarHBondContact O-N 2.89Å; T1232-V1236 PolarHBondContact O-N 3.01Å; T1232-V1236 VanDerWaalsContact O-N 3.14Å
1233S62.8Low66.6Low92 Ų9285.1 Ų85.164%0.64348%0.477SS*.Hα-helixtrans-58.4-31.9176.965.40000112.8V1235 V1236 D1237S1233-V1235 VanDerWaalsContact C-N 3.28Å; S1233-V1235 PolarHBondContact O-N 3.33Å; S1233-V1236 WeakPolarHBondContact O-CB 3.34Å; S1233-V1236 PolarHBondContact O-N 2.86Å; S1233-V1236 VanDerWaalsContact O-N 3.15Å; S1233-D1237 PolarHBondContact O-N 3.39Å
1234D70.4Confident66.9Low90 Ų9084.5 Ų84.548%0.48148%0.483SS..Hα-helixtrans-66.6-28177.1-163.370.6000112.6T1232 K1238T1232-D1234 PolarHBondContact O-N 3.41Å; D1234-K1238 WeakPolarHBondContact O-CD 3.31Å; D1234-K1238 WeakPolarHBondContact O-CG 3.43Å; D1234-K1238 PolarHBondContact O-N 3.17Å; D1234-K1238 IonicContact OD2-NZ 3.04Å; D1234-K1238 PolarHBondContact OD2-NZ 3.46Å
1235V64.9Low67Low39 Ų3980.3 Ų80.324%0.23647%0.474CS..Hα-helixtrans-75.3-41.9170.4178.40000110.3V1231 T1232 S1233 D1237 K1238 L1239V1231-V1235 HydrophobicContact CG1-CB 4.25Å; V1231-V1235 HydrophobicContact CG1-CG1 4.15Å; T1232-V1235 WeakPolarHBondContact O-CB 3.27Å; T1232-V1235 PolarHBondContact O-N 2.89Å; S1233-V1235 VanDerWaalsContact C-N 3.28Å; S1233-V1235 PolarHBondContact O-N 3.33Å; V1235-D1237 PolarHBondContact O-N 3.32Å; V1235-K1238 PolarHBondContact O-N 3.43Å; V1235-L1239 HydrophobicContact CG1-CD1 4.03Å; V1235-L1239 WeakPolarHBondContact O-CB 3.1Å; V1235-L1239 WeakPolarHBondContact O-CG 3.49Å; V1235-L1239 PolarHBondContact O-N 2.95Å
1236V64.6Low66.9Low75 Ų7578.9 Ų78.946%0.45547%0.469SS..Hα-helixtrans-60.4-43.9175.2-179.60000111.2V1231 T1232 S1233 K1238 L1239 K1240V1231-V1236 HydrophobicContact CG1-CG2 3.83Å; T1232-V1236 PolarHBondContact O-N 3.01Å; T1232-V1236 VanDerWaalsContact O-N 3.14Å; S1233-V1236 WeakPolarHBondContact O-CB 3.34Å; S1233-V1236 PolarHBondContact O-N 2.86Å; S1233-V1236 VanDerWaalsContact O-N 3.15Å; V1236-K1238 PolarHBondContact O-N 2.03Å; V1236-L1239 PolarHBondContact O-N 3.11Å; V1236-K1240 VanDerWaalsContact O-CB 3.31Å; V1236-K1240 WeakPolarHBondContact O-CB 3.08Å; V1236-K1240 PolarHBondContact O-N 3.19Å
1237D73.4Confident67.1Low96 Ų9681.3 Ų81.351%0.51348%0.482SS..Hα-helixtrans-66.1-35.9178.5-73.6-34000112.3S1233 V1235 K1240 A1241S1233-D1237 PolarHBondContact O-N 3.39Å; V1235-D1237 PolarHBondContact O-N 3.32Å; D1237-K1240 PolarHBondContact O-N 3.43Å; D1237-A1241 PolarHBondContact O-N 3.04Å
1238K74.1Confident67.7Low120 Ų12080.2 Ų80.252%0.52247%0.473SS..Hα-helixtrans-67.4-45.1172.5-79.1167.5-178.9144.30112.6D1234 V1235 V1236 K1240 A1241 Q1242D1234-K1238 WeakPolarHBondContact O-CD 3.31Å; D1234-K1238 WeakPolarHBondContact O-CG 3.43Å; D1234-K1238 PolarHBondContact O-N 3.17Å; D1234-K1238 IonicContact OD2-NZ 3.04Å; D1234-K1238 PolarHBondContact OD2-NZ 3.46Å; V1235-K1238 PolarHBondContact O-N 3.43Å; V1236-K1238 PolarHBondContact O-N 2.03Å; K1238-K1240 VanDerWaalsContact C-N 3.28Å; K1238-K1240 PolarHBondContact O-N 2.67Å; K1238-A1241 PolarHBondContact O-N 2.74Å; K1238-Q1242 WeakPolarHBondContact O-CG 3.42Å; K1238-Q1242 PolarHBondContact O-N 3.25Å
1239L64.8Low68.3Low29 Ų2981.3 Ų81.315%0.15247%0.472CS..Hα-helixtrans-60-41174.4-78.1167000110.9I1222 V1235 V1236 A1241 Q1242 S1243I1222-L1239 HydrophobicContact CB-CD2 4.45Å; I1222-L1239 HydrophobicContact CG1-CD2 3.94Å; I1222-L1239 HydrophobicContact CG2-CD2 4.19Å; V1235-L1239 HydrophobicContact CG1-CD1 4.03Å; V1235-L1239 WeakPolarHBondContact O-CB 3.1Å; V1235-L1239 WeakPolarHBondContact O-CG 3.49Å; V1235-L1239 PolarHBondContact O-N 2.95Å; V1236-L1239 PolarHBondContact O-N 3.11Å; L1239-A1241 PolarHBondContact O-N 3.03Å; L1239-Q1242 PolarHBondContact O-N 3.48Å; L1239-S1243 PolarHBondContact O-N 2.02Å
1240K72Confident68.9Low144 Ų14480.3 Ų80.363%0.62645%0.452SS*.Hα-helixtrans-61.4-44.2175.9-158.9171.4-170.3173.90112.1V1236 D1237 K1238 S1243 S1244V1236-K1240 VanDerWaalsContact O-CB 3.31Å; V1236-K1240 WeakPolarHBondContact O-CB 3.08Å; V1236-K1240 PolarHBondContact O-N 3.19Å; D1237-K1240 PolarHBondContact O-N 3.43Å; K1238-K1240 VanDerWaalsContact C-N 3.28Å; K1238-K1240 PolarHBondContact O-N 2.67Å; K1240-S1243 WeakPolarHBondContact O-CB 3.49Å; K1240-S1243 PolarHBondContact O-N 2.83Å; K1240-S1244 PolarHBondContact O-N 3.47Å; K1240-S1244 PolarHBondContact O-OG 2.81Å
1241A75.8Confident69.7Low65 Ų6580.2 Ų80.254%0.53745%0.447SS..Hα-helixtrans-65.3-36174.300000113.1D1237 K1238 L1239 A1245D1237-A1241 PolarHBondContact O-N 3.04Å; K1238-A1241 PolarHBondContact O-N 2.74Å; L1239-A1241 PolarHBondContact O-N 3.03Å; A1241-A1245 PolarHBondContact O-N 2.74Å
1242Q72.9Confident70.6Confident91 Ų9183.3 Ų83.343%0.42546%0.462SS..Hα-helixtrans-69-37.8174.4-74.1-176.3-26.200112.5K1238 L1239 A1245 L1246K1238-Q1242 WeakPolarHBondContact O-CG 3.42Å; K1238-Q1242 PolarHBondContact O-N 3.25Å; L1239-Q1242 PolarHBondContact O-N 3.48Å; Q1242-A1245 PolarHBondContact O-N 3.09Å; Q1242-L1246 PolarHBondContact O-N 3.25Å; Q1242-L1246 VanDerWaalsContact O-N 3.11Å
1243S62.8Low70.8Confident59 Ų5982.9 Ų82.941%0.41346%0.456SS..Hα-helixtrans-60.5-53.5173.1-165.80000110.8L1239 K1240 A1245 L1246 D1247L1239-S1243 PolarHBondContact O-N 2.02Å; K1240-S1243 WeakPolarHBondContact O-CB 3.49Å; K1240-S1243 PolarHBondContact O-N 2.83Å; S1243-A1245 PolarHBondContact O-N 2.83Å; S1243-A1245 VanDerWaalsContact O-N 3.13Å; S1243-L1246 CarbonylContact O-C 3.51Å; S1243-L1246 WeakPolarHBondContact O-CA 3.3Å; S1243-L1246 VanDerWaalsContact O-CB 3.26Å; S1243-L1246 WeakPolarHBondContact O-CB 3.2Å; S1243-L1246 PolarHBondContact O-N 2.85Å; S1243-D1247 VanDerWaalsContact O-CG 3.22Å; S1243-D1247 PolarHBondContact O-N 2.74Å; S1243-D1247 VanDerWaalsContact O-OD2 3.13Å
1244S74.7Confident71.1Confident71 Ų7182.8 Ų82.850%0.49745%0.448SS..Hα-helixtrans-60-29179.5-56.50000113.7K1240 D1247 A1248K1240-S1244 PolarHBondContact O-N 3.47Å; K1240-S1244 PolarHBondContact O-OG 2.81Å; S1244-D1247 WeakPolarHBondContact CA-OD2 3.31Å; S1244-A1248 PolarHBondContact O-N 2.96Å
1245A75.4Confident71.3Confident53 Ų5381.2 Ų81.244%0.43845%0.448SS..Hα-helixtrans-78.9-18.217300000113.8A1241 Q1242 S1243A1241-A1245 PolarHBondContact O-N 2.74Å; Q1242-A1245 PolarHBondContact O-N 3.09Å; S1243-A1245 PolarHBondContact O-N 2.83Å; S1243-A1245 VanDerWaalsContact O-N 3.13Å
1246L67.4Low71.8Confident32 Ų3285.9 Ų85.917%0.16846%0.461CS..Hα-helixtrans-81.9-47170.1-145.176.5000110.3K1218 Q1242 S1243 A1248 R1249 I1250K1218-L1246 HydrophobicContact CD-CD1 3.53Å; Q1242-L1246 PolarHBondContact O-N 3.25Å; Q1242-L1246 VanDerWaalsContact O-N 3.11Å; S1243-L1246 CarbonylContact O-C 3.51Å; S1243-L1246 WeakPolarHBondContact O-CA 3.3Å; S1243-L1246 VanDerWaalsContact O-CB 3.26Å; S1243-L1246 WeakPolarHBondContact O-CB 3.2Å; S1243-L1246 PolarHBondContact O-N 2.85Å; L1246-A1248 VanDerWaalsContact C-N 3.32Å; L1246-A1248 PolarHBondContact O-N 3.4Å; L1246-R1249 WeakPolarHBondContact O-CA 3.05Å; L1246-R1249 WeakPolarHBondContact O-CB 3.41Å; L1246-R1249 PolarHBondContact O-N 2.97Å; L1246-I1250 HydrophobicContact CD2-CD1 4.41Å; L1246-I1250 HydrophobicContact CG-CD1 4.31Å; L1246-I1250 WeakPolarHBondContact O-CG1 2.79Å; L1246-I1250 PolarHBondContact O-N 2.78Å
1247D70.4Confident71.8Confident80 Ų8086.2 Ų86.243%0.42846%0.46SS..Hα-helixtrans-52.1-49.6176.7-58-34.2000110.9S1243 S1244 R1249 I1250 E1251S1243-D1247 VanDerWaalsContact O-CG 3.22Å; S1243-D1247 PolarHBondContact O-N 2.74Å; S1243-D1247 VanDerWaalsContact O-OD2 3.13Å; S1244-D1247 WeakPolarHBondContact CA-OD2 3.31Å; D1247-R1249 PolarHBondContact O-N 3.2Å; D1247-I1250 PolarHBondContact O-N 2.62Å; D1247-I1250 VanDerWaalsContact O-N 3.09Å; D1247-E1251 PolarHBondContact O-N 3.27Å
1248A75.6Confident71.5Confident61 Ų6186.4 Ų86.450%0.50446%0.461SS..Hα-helixtrans-63.6-22.9177.700000114.5S1244 L1246S1244-A1248 PolarHBondContact O-N 2.96Å; L1246-A1248 VanDerWaalsContact C-N 3.32Å; L1246-A1248 PolarHBondContact O-N 3.4Å
1249R75.5Confident71.5Confident151 Ų15185.1 Ų85.157%0.5746%0.463SS*.Hα-helixtrans-82.3-39.8171.3-91.8-173173.6-173.5-1.6111.7L1246 D1247 N1252 I1253L1246-R1249 WeakPolarHBondContact O-CA 3.05Å; L1246-R1249 WeakPolarHBondContact O-CB 3.41Å; L1246-R1249 PolarHBondContact O-N 2.97Å; D1247-R1249 PolarHBondContact O-N 3.2Å; R1249-N1252 WeakPolarHBondContact O-CB 3.02Å; R1249-N1252 PolarHBondContact O-N 2.92Å; R1249-I1253 WeakPolarHBondContact O-CG1 3.31Å; R1249-I1253 PolarHBondContact O-N 2.71Å
1250I68.3Low71.6Confident76 Ų7688 Ų8839%0.3948%0.481SS..Hα-helixtrans-62.7-45.4177.2-68166.8000109.6L1246 D1247 N1252 I1253 L1254L1246-I1250 HydrophobicContact CD2-CD1 4.41Å; L1246-I1250 HydrophobicContact CG-CD1 4.31Å; L1246-I1250 WeakPolarHBondContact O-CG1 2.79Å; L1246-I1250 PolarHBondContact O-N 2.78Å; D1247-I1250 PolarHBondContact O-N 2.62Å; D1247-I1250 VanDerWaalsContact O-N 3.09Å; I1250-N1252 VanDerWaalsContact C-N 3.29Å; I1250-N1252 PolarHBondContact O-N 2.78Å; I1250-I1253 PolarHBondContact O-N 3.22Å; I1250-L1254 HydrophobicContact CG2-CD1 3.79Å; I1250-L1254 HydrophobicContact CG2-CG 4.26Å; I1250-L1254 WeakPolarHBondContact O-CB 2.99Å; I1250-L1254 WeakPolarHBondContact O-CG 3.41Å; I1250-L1254 PolarHBondContact O-N 2.91Å
1251E74.5Confident71Confident144 Ų14485.4 Ų85.467%0.67348%0.475SS*.Hα-helixtrans-57-39.1173.1-76.5-163.1156.700113D1247 A1255D1247-E1251 PolarHBondContact O-N 3.27Å; E1251-A1255 WeakPolarHBondContact O-CB 3.44Å; E1251-A1255 PolarHBondContact O-N 3.4Å
1252N76Confident70.7Confident102 Ų10287 Ų8755%0.54548%0.478SS..Hα-helixtrans-67.8-40.6178.5-165.8-80.4000112.2R1249 I1250 A1255 R1256R1249-N1252 WeakPolarHBondContact O-CB 3.02Å; R1249-N1252 PolarHBondContact O-N 2.92Å; I1250-N1252 VanDerWaalsContact C-N 3.29Å; I1250-N1252 PolarHBondContact O-N 2.78Å; N1252-A1255 PolarHBondContact O-N 2.86Å; N1252-R1256 PolarHBondContact O-N 2.77Å
1253I69.9Low70.6Confident70 Ų7092.4 Ų92.436%0.35949%0.494SS..Hα-helixtrans-68.1-43.5176.5-67.2168.7000110.2R1249 I1250 A1255 R1256 L1257R1249-I1253 WeakPolarHBondContact O-CG1 3.31Å; R1249-I1253 PolarHBondContact O-N 2.71Å; I1250-I1253 PolarHBondContact O-N 3.22Å; I1253-A1255 VanDerWaalsContact C-N 3.34Å; I1253-A1255 PolarHBondContact O-N 3.01Å; I1253-R1256 PolarHBondContact O-N 2.7Å; I1253-R1256 VanDerWaalsContact O-N 3.16Å; I1253-L1257 HydrophobicContact CG2-CD1 4.01Å; I1253-L1257 PolarHBondContact O-N 3.33Å
1254L69.5Low70.5Confident90 Ų9092.3 Ų92.347%0.47149%0.494SS..Hα-helixtrans-59.7-40.2173.1-73.2170.6000112.2I1250 R1256 L1257 N1258I1250-L1254 HydrophobicContact CG2-CD1 3.79Å; I1250-L1254 HydrophobicContact CG2-CG 4.26Å; I1250-L1254 WeakPolarHBondContact O-CB 2.99Å; I1250-L1254 WeakPolarHBondContact O-CG 3.41Å; I1250-L1254 PolarHBondContact O-N 2.91Å; L1254-R1256 VanDerWaalsContact C-N 3.32Å; L1254-R1256 PolarHBondContact O-N 3.16Å; L1254-L1257 PolarHBondContact O-N 3.49Å; L1254-N1258 WeakPolarHBondContact O-CB 3.13Å; L1254-N1258 PolarHBondContact O-N 3.28Å
1255A74.8Confident69.9Low58 Ų5892.6 Ų92.648%0.47949%0.492SS..Hα-helixtrans-64.1-35.7175.800000112.8E1251 N1252 I1253 T1259E1251-A1255 WeakPolarHBondContact O-CB 3.44Å; E1251-A1255 PolarHBondContact O-N 3.4Å; N1252-A1255 PolarHBondContact O-N 2.86Å; I1253-A1255 VanDerWaalsContact C-N 3.34Å; I1253-A1255 PolarHBondContact O-N 3.01Å; A1255-T1259 PolarHBondContact O-N 2.95Å; A1255-T1259 PolarHBondContact O-OG1 3.21Å
1256R75Confident69.5Low136 Ų13693.8 Ų93.851%0.51350%0.497SS..Hα-helixtrans-71.7-39.8173.2-71.7178.964.5-165.6-4.6112N1252 I1253 L1254 T1259 V1260N1252-R1256 PolarHBondContact O-N 2.77Å; I1253-R1256 PolarHBondContact O-N 2.7Å; I1253-R1256 VanDerWaalsContact O-N 3.16Å; L1254-R1256 VanDerWaalsContact C-N 3.32Å; L1254-R1256 PolarHBondContact O-N 3.16Å; R1256-T1259 WeakPolarHBondContact CA-OG1 3.38Å; R1256-T1259 PolarHBondContact O-N 2.67Å; R1256-T1259 PolarHBondContact O-OG1 2.97Å; R1256-V1260 PolarHBondContact O-N 3.5Å
1257L65.3Low69.4Low82 Ų8297.8 Ų97.843%0.42952%0.518SS..Hα-helixtrans-61.1-46.3173.3-80.2162.1000111.1I1253 L1254 T1259 V1260 D1261I1253-L1257 HydrophobicContact CG2-CD1 4.01Å; I1253-L1257 PolarHBondContact O-N 3.33Å; L1254-L1257 PolarHBondContact O-N 3.49Å; L1257-T1259 PolarHBondContact O-N 2.68Å; L1257-V1260 CarbonylContact O-C 3.57Å; L1257-V1260 WeakPolarHBondContact O-CA 3.36Å; L1257-V1260 WeakPolarHBondContact O-CB 3.41Å; L1257-V1260 PolarHBondContact O-N 3.16Å; L1257-D1261 WeakPolarHBondContact O-CB 3.43Å; L1257-D1261 PolarHBondContact O-N 2.75Å
1258N67.1Low69.1Low101 Ų10197 Ų9754%0.5452%0.516SS..Hα-helixtrans-58.1-30.2174.4-78.2-9.5000113.3L1254 V1262L1254-N1258 WeakPolarHBondContact O-CB 3.13Å; L1254-N1258 PolarHBondContact O-N 3.28Å; N1258-V1262 VanDerWaalsContact O-CG2 3.32Å; N1258-V1262 WeakPolarHBondContact O-CG2 3.39Å; N1258-V1262 PolarHBondContact O-N 3.26Å
1259T74.3Confident68.7Low92 Ų9296.5 Ų96.556%0.56451%0.513SS*.Hα-helixtrans-76.5-271751.40000113A1255 R1256 L1257A1255-T1259 PolarHBondContact O-N 2.95Å; A1255-T1259 PolarHBondContact O-OG1 3.21Å; R1256-T1259 WeakPolarHBondContact CA-OG1 3.38Å; R1256-T1259 PolarHBondContact O-N 2.67Å; R1256-T1259 PolarHBondContact O-OG1 2.97Å; L1257-T1259 PolarHBondContact O-N 2.68Å
1260V66.9Low68.5Low89 Ų8992.5 Ų92.554%0.53951%0.507SS..Hα-helixtrans-75.8-40.4170.1177.30000110.1R1256 L1257 R1263 S1264R1256-V1260 PolarHBondContact O-N 3.5Å; L1257-V1260 CarbonylContact O-C 3.57Å; L1257-V1260 WeakPolarHBondContact O-CA 3.36Å; L1257-V1260 WeakPolarHBondContact O-CB 3.41Å; L1257-V1260 PolarHBondContact O-N 3.16Å; V1260-R1263 CarbonylContact O-C 3.59Å; V1260-R1263 WeakPolarHBondContact O-CA 3.27Å; V1260-R1263 WeakPolarHBondContact O-CB 3.12Å; V1260-R1263 PolarHBondContact O-N 2.87Å; V1260-R1263 VanDerWaalsContact O-N 3.09Å; V1260-S1264 WeakPolarHBondContact O-CB 3.47Å; V1260-S1264 PolarHBondContact O-N 3.34Å
1261D58.5Low68.4Low91 Ų9192.3 Ų92.349%0.48751%0.51SS..Hα-helixtrans-62.5-41.8177.8-173.557.7000112.9L1257 R1263 S1264 T1265L1257-D1261 WeakPolarHBondContact O-CB 3.43Å; L1257-D1261 PolarHBondContact O-N 2.75Å; D1261-R1263 VanDerWaalsContact C-N 3.29Å; D1261-R1263 PolarHBondContact O-N 3.27Å; D1261-S1264 CarbonylContact O-C 3.54Å; D1261-S1264 WeakPolarHBondContact O-CB 3.49Å; D1261-S1264 PolarHBondContact O-N 2.93Å; D1261-S1264 VanDerWaalsContact O-N 3.13Å; D1261-T1265 PolarHBondContact O-N 2.83Å; D1261-T1265 PolarHBondContact O-OG1 2.04Å
1262V70.7Confident67.8Low99 Ų9989.3 Ų89.360%0.650%0.498SS*.Hα-helixtrans-65-31.7172.1170.90000112.4N1258 T1265 S1266N1258-V1262 VanDerWaalsContact O-CG2 3.32Å; N1258-V1262 WeakPolarHBondContact O-CG2 3.39Å; N1258-V1262 PolarHBondContact O-N 3.26Å; V1262-T1265 WeakPolarHBondContact CA-OG1 3.41Å; V1262-T1265 PolarHBondContact O-OG1 3.37Å; V1262-S1266 WeakPolarHBondContact O-CB 3.34Å; V1262-S1266 PolarHBondContact O-N 3.48Å
1263R70.4Confident67.6Low203 Ų20387.6 Ų87.677%0.76649%0.492SS*.Hα-helixtrans-75.8-34.7171-86.6-176.8168.3-179-3.4112.1V1260 D1261 S1266 L1267V1260-R1263 CarbonylContact O-C 3.59Å; V1260-R1263 WeakPolarHBondContact O-CA 3.27Å; V1260-R1263 WeakPolarHBondContact O-CB 3.12Å; V1260-R1263 PolarHBondContact O-N 2.87Å; V1260-R1263 VanDerWaalsContact O-N 3.09Å; D1261-R1263 VanDerWaalsContact C-N 3.29Å; D1261-R1263 PolarHBondContact O-N 3.27Å; R1263-S1266 PolarHBondContact O-N 2.87Å; R1263-L1267 WeakPolarHBondContact O-CB 3.27Å; R1263-L1267 PolarHBondContact O-N 3.36Å
1264S60Low67.6Low58 Ų5886.4 Ų86.441%0.40649%0.492SS..Hα-helixtrans-62.7-57176-160.60000108.7V1260 D1261 S1266 L1267 T1268V1260-S1264 WeakPolarHBondContact O-CB 3.47Å; V1260-S1264 PolarHBondContact O-N 3.34Å; D1261-S1264 CarbonylContact O-C 3.54Å; D1261-S1264 WeakPolarHBondContact O-CB 3.49Å; D1261-S1264 PolarHBondContact O-N 2.93Å; D1261-S1264 VanDerWaalsContact O-N 3.13Å; S1264-S1266 VanDerWaalsContact C-N 3.3Å; S1264-S1266 PolarHBondContact O-N 2.85Å; S1264-L1267 CarbonylContact O-C 3.52Å; S1264-L1267 WeakPolarHBondContact O-CA 3.22Å; S1264-L1267 WeakPolarHBondContact O-CB 3.39Å; S1264-L1267 PolarHBondContact O-N 2.87Å; S1264-T1268 PolarHBondContact O-N 2.81Å; S1264-T1268 PolarHBondContact O-OG1 2.72Å
1265T61.7Low67.3Low77 Ų7787 Ų8747%0.47249%0.493SS..Hα-helixtrans-57.4-34.4176.344.10000114.2D1261 V1262 A1269D1261-T1265 PolarHBondContact O-N 2.83Å; D1261-T1265 PolarHBondContact O-OG1 2.04Å; V1262-T1265 WeakPolarHBondContact CA-OG1 3.41Å; V1262-T1265 PolarHBondContact O-OG1 3.37Å; T1265-A1269 WeakPolarHBondContact O-CB 3.28Å; T1265-A1269 PolarHBondContact O-N 2.82Å
1266S66.7Low66.8Low77 Ų7790 Ų9054%0.53850%0.497SS..Hα-helixtrans-69.7-31.1171.1-178.30000113.3V1262 R1263 S1264 S1270V1262-S1266 WeakPolarHBondContact O-CB 3.34Å; V1262-S1266 PolarHBondContact O-N 3.48Å; R1263-S1266 PolarHBondContact O-N 2.87Å; S1264-S1266 VanDerWaalsContact C-N 3.3Å; S1264-S1266 PolarHBondContact O-N 2.85Å; S1266-S1270 PolarHBondContact O-N 3.34Å; S1266-S1270 PolarHBondContact O-OG 3.47Å
1267L66.2Low66.8Low117 Ų11790 Ų9061%0.61350%0.502SS*.Hα-helixtrans-78.4-40.9174.5-163.472.7000110.3R1263 S1264 S1270 V1271R1263-L1267 WeakPolarHBondContact O-CB 3.27Å; R1263-L1267 PolarHBondContact O-N 3.36Å; S1264-L1267 CarbonylContact O-C 3.52Å; S1264-L1267 WeakPolarHBondContact O-CA 3.22Å; S1264-L1267 WeakPolarHBondContact O-CB 3.39Å; S1264-L1267 PolarHBondContact O-N 2.87Å; L1267-S1270 CarbonylContact O-C 3.02Å; L1267-S1270 WeakPolarHBondContact O-CA 3.37Å; L1267-S1270 WeakPolarHBondContact O-CB 3.44Å; L1267-S1270 PolarHBondContact O-N 2.89Å; L1267-V1271 WeakPolarHBondContact O-CG2 3.19Å; L1267-V1271 PolarHBondContact O-N 3.27Å
1268T64.6Low67Low62 Ų6290.3 Ų90.338%0.3850%0.504SS..Hα-helixtrans-55.1-54.7170.9-510000109.4S1264 S1270 V1271 D1272S1264-T1268 PolarHBondContact O-N 2.81Å; S1264-T1268 PolarHBondContact O-OG1 2.72Å; T1268-S1270 PolarHBondContact O-N 3.45Å; T1268-V1271 CarbonylContact O-C 3.49Å; T1268-V1271 VanDerWaalsContact O-CA 3.31Å; T1268-V1271 WeakPolarHBondContact O-CA 3.37Å; T1268-V1271 WeakPolarHBondContact O-CB 3.33Å; T1268-V1271 PolarHBondContact O-N 3.23Å; T1268-D1272 WeakPolarHBondContact CG2-OD1 3.48Å; T1268-D1272 PolarHBondContact O-N 2.89Å; T1268-D1272 VanDerWaalsContact O-OD1 3.05Å
1269A66.1Low67Low52 Ų5291.5 Ų91.543%0.4351%0.506SS..Hα-helixtrans-58.5-25175.600000114.6T1265 D1272 T1273T1265-A1269 WeakPolarHBondContact O-CB 3.28Å; T1265-A1269 PolarHBondContact O-N 2.82Å; A1269-D1272 WeakPolarHBondContact CA-OD2 3.31Å; A1269-T1273 PolarHBondContact O-N 2.64Å; A1269-T1273 PolarHBondContact O-OG1 2.99Å
1270S71.6Confident67Low66 Ų6690.5 Ų90.546%0.46250%0.5SS..Hα-helixtrans-84.2-25.4173-53.50000112.9S1266 L1267 T1268 T1273 A1274S1266-S1270 PolarHBondContact O-N 3.34Å; S1266-S1270 PolarHBondContact O-OG 3.47Å; L1267-S1270 CarbonylContact O-C 3.02Å; L1267-S1270 WeakPolarHBondContact O-CA 3.37Å; L1267-S1270 WeakPolarHBondContact O-CB 3.44Å; L1267-S1270 PolarHBondContact O-N 2.89Å; T1268-S1270 PolarHBondContact O-N 3.45Å; S1270-T1273 WeakPolarHBondContact CA-OG1 3.37Å; S1270-A1274 VanDerWaalsContact O-CB 3.22Å; S1270-A1274 WeakPolarHBondContact O-CB 3.27Å; S1270-A1274 PolarHBondContact O-N 3.24Å; S1270-A1274 VanDerWaalsContact O-N 3.09Å
1271V67.5Low67.4Low72 Ų7290.6 Ų90.644%0.43650%0.497SS..Hα-helixtrans-77.4-45.1170.71690000109.1L1267 T1268 T1273 A1274 E1275L1267-V1271 WeakPolarHBondContact O-CG2 3.19Å; L1267-V1271 PolarHBondContact O-N 3.27Å; T1268-V1271 CarbonylContact O-C 3.49Å; T1268-V1271 VanDerWaalsContact O-CA 3.31Å; T1268-V1271 WeakPolarHBondContact O-CA 3.37Å; T1268-V1271 WeakPolarHBondContact O-CB 3.33Å; T1268-V1271 PolarHBondContact O-N 3.23Å; V1271-T1273 VanDerWaalsContact C-N 3.34Å; V1271-T1273 PolarHBondContact O-N 2.03Å; V1271-A1274 CarbonylContact O-C 3.5Å; V1271-A1274 VanDerWaalsContact O-C 3.29Å; V1271-A1274 WeakPolarHBondContact O-CA 3.43Å; V1271-A1274 WeakPolarHBondContact O-CB 3.22Å; V1271-A1274 PolarHBondContact O-N 3.37Å; V1271-E1275 WeakPolarHBondContact O-CB 3.17Å; V1271-E1275 PolarHBondContact O-N 3.36Å
1272D61.1Low68Low81 Ų8194.2 Ų94.243%0.43350%0.504SS..Hα-helixtrans-57.3-43.4174-51.7-17.7000111.1T1268 A1269 E1275 E1276T1268-D1272 WeakPolarHBondContact CG2-OD1 3.48Å; T1268-D1272 PolarHBondContact O-N 2.89Å; T1268-D1272 VanDerWaalsContact O-OD1 3.05Å; A1269-D1272 WeakPolarHBondContact CA-OD2 3.31Å; D1272-E1275 CarbonylContact O-C 3.09Å; D1272-E1275 PolarHBondContact O-N 3.06Å; D1272-E1276 WeakPolarHBondContact O-CB 3.36Å; D1272-E1276 PolarHBondContact O-N 2.91Å
1273T71.9Confident68Low66 Ų6694.7 Ų94.741%0.40550%0.503SS..Hα-helixtrans-77.2-20.9173.142.10000113.5A1269 S1270 V1271 H1277A1269-T1273 PolarHBondContact O-N 2.64Å; A1269-T1273 PolarHBondContact O-OG1 2.99Å; S1270-T1273 WeakPolarHBondContact CA-OG1 3.37Å; V1271-T1273 VanDerWaalsContact C-N 3.34Å; V1271-T1273 PolarHBondContact O-N 2.03Å; T1273-H1277 WeakPolarHBondContact O-CB 3.21Å; T1273-H1277 VanDerWaalsContact O-CG 3.32Å; T1273-H1277 PolarHBondContact O-N 3.49Å; T1273-H1277 PolarHBondContact O-ND1 3.11Å
1274A69.8Low68.3Low45 Ų4590.6 Ų90.637%0.37249%0.493SS..Hα-helixtrans-78.5-24.5166.200000111.8S1270 V1271 L1278S1270-A1274 VanDerWaalsContact O-CB 3.22Å; S1270-A1274 WeakPolarHBondContact O-CB 3.27Å; S1270-A1274 PolarHBondContact O-N 3.24Å; S1270-A1274 VanDerWaalsContact O-N 3.09Å; V1271-A1274 CarbonylContact O-C 3.5Å; V1271-A1274 VanDerWaalsContact O-C 3.29Å; V1271-A1274 WeakPolarHBondContact O-CA 3.43Å; V1271-A1274 WeakPolarHBondContact O-CB 3.22Å; V1271-A1274 PolarHBondContact O-N 3.37Å; A1274-L1278 WeakPolarHBondContact O-CA 3.42Å; A1274-L1278 WeakPolarHBondContact O-CB 3.38Å; A1274-L1278 WeakPolarHBondContact O-CD1 3.23Å; A1274-L1278 WeakPolarHBondContact O-CG 3.18Å; A1274-L1278 PolarHBondContact O-N 3.28Å
1275E62.3Low68.9Low104 Ų10491.7 Ų91.749%0.48650%0.497SS..Hα-helixtrans-77.8-44.5174.2-101.9-178.3154.400109.9V1271 D1272 H1277 L1278 E1279V1271-E1275 WeakPolarHBondContact O-CB 3.17Å; V1271-E1275 PolarHBondContact O-N 3.36Å; D1272-E1275 CarbonylContact O-C 3.09Å; D1272-E1275 PolarHBondContact O-N 3.06Å; E1275-H1277 VanDerWaalsContact C-N 3.3Å; E1275-H1277 PolarHBondContact O-N 3.07Å; E1275-L1278 CarbonylContact O-C 3.48Å; E1275-L1278 WeakPolarHBondContact O-CA 3.39Å; E1275-L1278 PolarHBondContact O-N 2.76Å; E1275-E1279 WeakPolarHBondContact O-CA 3.47Å; E1275-E1279 WeakPolarHBondContact O-CB 3.49Å; E1275-E1279 PolarHBondContact O-N 2.8Å
1276E64.3Low69.2Low121 Ų12190.6 Ų90.657%0.56550%0.495SS*.Hα-helixtrans-60-40.9170.4-172.5-179.1-158.100110.9D1272 E1279 T1280D1272-E1276 WeakPolarHBondContact O-CB 3.36Å; D1272-E1276 PolarHBondContact O-N 2.91Å; E1276-E1279 PolarHBondContact O-N 3.21Å; E1276-T1280 WeakPolarHBondContact O-CB 3.38Å; E1276-T1280 PolarHBondContact O-N 3.49Å; E1276-T1280 PolarHBondContact O-OG1 3.38Å
1277H75.6Confident69.6Low134 Ų13493 Ų9362%0.6250%0.498SS*.Hα-helixtrans-70.8-33.1170.6-73.9127.2000113.3T1273 E1275 E1279 L1281T1273-H1277 WeakPolarHBondContact O-CB 3.21Å; T1273-H1277 VanDerWaalsContact O-CG 3.32Å; T1273-H1277 PolarHBondContact O-N 3.49Å; T1273-H1277 PolarHBondContact O-ND1 3.11Å; E1275-H1277 VanDerWaalsContact C-N 3.3Å; E1275-H1277 PolarHBondContact O-N 3.07Å; H1277-E1279 VanDerWaalsContact C-N 3.33Å; H1277-L1281 WeakPolarHBondContact O-CB 3.24Å; H1277-L1281 PolarHBondContact O-N 2.95Å
1278L69.1Low70Confident90 Ų9092.5 Ų92.547%0.47150%0.496SS..Hα-helixtrans-76.8-20.2174.6-88163.8000112.4A1274 E1275 R1282A1274-L1278 WeakPolarHBondContact O-CA 3.42Å; A1274-L1278 WeakPolarHBondContact O-CB 3.38Å; A1274-L1278 WeakPolarHBondContact O-CD1 3.23Å; A1274-L1278 WeakPolarHBondContact O-CG 3.18Å; A1274-L1278 PolarHBondContact O-N 3.28Å; E1275-L1278 CarbonylContact O-C 3.48Å; E1275-L1278 WeakPolarHBondContact O-CA 3.39Å; E1275-L1278 PolarHBondContact O-N 2.76Å; L1278-R1282 WeakPolarHBondContact O-CA 3.38Å; L1278-R1282 WeakPolarHBondContact O-CB 3.26Å; L1278-R1282 WeakPolarHBondContact O-CG 3.21Å; L1278-R1282 PolarHBondContact O-N 3.04Å
1279E67.9Low70.2Confident126 Ų12694.9 Ų94.959%0.58950%0.501SS*.Hα-helixtrans-82.8-46.6174.5-168.2169.4-124.700107.9E1275 E1276 H1277 L1281 R1282 D1283E1275-E1279 WeakPolarHBondContact O-CA 3.47Å; E1275-E1279 WeakPolarHBondContact O-CB 3.49Å; E1275-E1279 PolarHBondContact O-N 2.8Å; E1276-E1279 PolarHBondContact O-N 3.21Å; H1277-E1279 VanDerWaalsContact C-N 3.33Å; E1279-L1281 VanDerWaalsContact C-N 3.32Å; E1279-L1281 PolarHBondContact O-N 3.41Å; E1279-R1282 CarbonylContact O-C 3.58Å; E1279-R1282 WeakPolarHBondContact O-CA 3.45Å; E1279-R1282 WeakPolarHBondContact O-CB 3.47Å; E1279-R1282 PolarHBondContact O-N 3.4Å; E1279-D1283 WeakPolarHBondContact O-CB 3.49Å; E1279-D1283 PolarHBondContact O-N 2.95Å
1280T74.4Confident70.4Confident70 Ų7095 Ų9543%0.42950%0.502SS..Hα-helixtrans-58.1-43.3166.8-47.20000111.4E1276 D1283 E1284E1276-T1280 WeakPolarHBondContact O-CB 3.38Å; E1276-T1280 PolarHBondContact O-N 3.49Å; E1276-T1280 PolarHBondContact O-OG1 3.38Å; T1280-D1283 PolarHBondContact O-N 2.84Å; T1280-E1284 WeakPolarHBondContact O-CB 3.38Å; T1280-E1284 WeakPolarHBondContact O-CG 3.05Å; T1280-E1284 PolarHBondContact O-N 3.07Å
1281L74.3Confident70.5Confident92 Ų9295.7 Ų95.748%0.48250%0.5SS..Hα-helixtrans-74.8-25.1176.2-158.489.2000111.7H1277 E1279 V1285H1277-L1281 WeakPolarHBondContact O-CB 3.24Å; H1277-L1281 PolarHBondContact O-N 2.95Å; E1279-L1281 VanDerWaalsContact C-N 3.32Å; E1279-L1281 PolarHBondContact O-N 3.41Å; L1281-V1285 HydrophobicContact CG-CG2 4.39Å; L1281-V1285 WeakPolarHBondContact O-CA 3.47Å; L1281-V1285 WeakPolarHBondContact O-CB 3.12Å; L1281-V1285 WeakPolarHBondContact O-CG2 3.5Å; L1281-V1285 PolarHBondContact O-N 2.71Å
1282R71.2Confident70.7Confident167 Ų16795.3 Ų95.363%0.6350%0.498SS*.Hα-helixtrans-74-34.7170.6-93.7170.8170.7148.9-5.1110.8L1278 E1279 V1285 A1286L1278-R1282 WeakPolarHBondContact O-CA 3.38Å; L1278-R1282 WeakPolarHBondContact O-CB 3.26Å; L1278-R1282 WeakPolarHBondContact O-CG 3.21Å; L1278-R1282 PolarHBondContact O-N 3.04Å; E1279-R1282 CarbonylContact O-C 3.58Å; E1279-R1282 WeakPolarHBondContact O-CA 3.45Å; E1279-R1282 WeakPolarHBondContact O-CB 3.47Å; E1279-R1282 PolarHBondContact O-N 3.4Å; R1282-V1285 CarbonylContact O-C 3.58Å; R1282-V1285 PolarHBondContact O-N 2.63Å; R1282-A1286 WeakPolarHBondContact O-CA 3.36Å; R1282-A1286 WeakPolarHBondContact O-CB 3.22Å; R1282-A1286 PolarHBondContact O-N 2.74Å
1283D72Confident70.9Confident108 Ų10894 Ų9458%0.57849%0.491SS*.Hα-helixtrans-73.5-42.9175-77.1-9000109.9E1279 T1280 V1285 A1286 E1287E1279-D1283 WeakPolarHBondContact O-CB 3.49Å; E1279-D1283 PolarHBondContact O-N 2.95Å; T1280-D1283 PolarHBondContact O-N 2.84Å; D1283-V1285 VanDerWaalsContact C-N 3.34Å; D1283-A1286 CarbonylContact O-C 3.45Å; D1283-A1286 PolarHBondContact O-N 2.72Å; D1283-E1287 VanDerWaalsContact O-CB 3.23Å; D1283-E1287 WeakPolarHBondContact O-CB 3.05Å; D1283-E1287 PolarHBondContact O-N 3.48Å
1284E75.3Confident70.6Confident118 Ų11896.4 Ų96.455%0.55150%0.498SS*.Hα-helixtrans-65.9-35.5169.7-75.5-17517800111.6T1280 L1288T1280-E1284 WeakPolarHBondContact O-CB 3.38Å; T1280-E1284 WeakPolarHBondContact O-CG 3.05Å; T1280-E1284 PolarHBondContact O-N 3.07Å; E1284-L1288 WeakPolarHBondContact O-CA 3.39Å; E1284-L1288 WeakPolarHBondContact O-CB 3.26Å; E1284-L1288 PolarHBondContact O-N 2.9Å
1285V72.6Confident70.6Confident80 Ų8099.5 Ų99.549%0.48551%0.508SS..Hα-helixtrans-77.7-21.4172.91690000111.6L1281 R1282 D1283 K1289L1281-V1285 HydrophobicContact CG-CG2 4.39Å; L1281-V1285 WeakPolarHBondContact O-CA 3.47Å; L1281-V1285 WeakPolarHBondContact O-CB 3.12Å; L1281-V1285 WeakPolarHBondContact O-CG2 3.5Å; L1281-V1285 PolarHBondContact O-N 2.71Å; R1282-V1285 CarbonylContact O-C 3.58Å; R1282-V1285 PolarHBondContact O-N 2.63Å; D1283-V1285 VanDerWaalsContact C-N 3.34Å; V1285-K1289 VanDerWaalsContact O-CA 3.29Å; V1285-K1289 WeakPolarHBondContact O-CA 3.1Å; V1285-K1289 WeakPolarHBondContact O-CB 3.06Å; V1285-K1289 PolarHBondContact O-N 3.07Å
1286A69.7Low70.4Confident54 Ų5499.4 Ų99.445%0.44651%0.507SS..Hα-helixtrans-88.7-28.2175.500000111.6R1282 D1283 K1289 A1290R1282-A1286 WeakPolarHBondContact O-CA 3.36Å; R1282-A1286 WeakPolarHBondContact O-CB 3.22Å; R1282-A1286 PolarHBondContact O-N 2.74Å; D1283-A1286 CarbonylContact O-C 3.45Å; D1283-A1286 PolarHBondContact O-N 2.72Å; A1286-K1289 CarbonylContact O-C 3.48Å; A1286-A1290 WeakPolarHBondContact O-CA 3.11Å; A1286-A1290 WeakPolarHBondContact O-CB 3.49Å; A1286-A1290 PolarHBondContact O-N 3.03Å
1287E73.8Confident69.9Low129 Ų12999.7 Ų99.760%0.60351%0.51SS*.Hα-helixtrans-77.1-42166.6-177.5179.9-169.800109.2D1283 K1289 A1290 N1291D1283-E1287 VanDerWaalsContact O-CB 3.23Å; D1283-E1287 WeakPolarHBondContact O-CB 3.05Å; D1283-E1287 PolarHBondContact O-N 3.48Å; E1287-K1289 VanDerWaalsContact C-N 3.32Å; E1287-A1290 PolarHBondContact O-N 3.45Å; E1287-N1291 WeakPolarHBondContact CG-ND2 3.47Å; E1287-N1291 WeakPolarHBondContact O-CB 3.32Å; E1287-N1291 VanDerWaalsContact O-CG 3.29Å; E1287-N1291 PolarHBondContact O-N 2.77Å; E1287-N1291 PolarHBondContact O-ND2 2.97Å
1288L74.5Confident68.9Low106 Ų10695.7 Ų95.756%0.55549%0.493SS*.Hα-helixtrans-67.6-33.4170-176.763.6000110.7E1284 N1291 V1292E1284-L1288 WeakPolarHBondContact O-CA 3.39Å; E1284-L1288 WeakPolarHBondContact O-CB 3.26Å; E1284-L1288 PolarHBondContact O-N 2.9Å; L1288-N1291 CarbonylContact O-C 3.51Å; L1288-V1292 HydrophobicContact CD1-CG2 3.9Å; L1288-V1292 HydrophobicContact CG-CG2 4.12Å; L1288-V1292 WeakPolarHBondContact O-CA 3.48Å; L1288-V1292 WeakPolarHBondContact O-CB 3.1Å; L1288-V1292 WeakPolarHBondContact O-CG2 3.5Å; L1288-V1292 PolarHBondContact O-N 3.33Å
1289K69.7Low68.3Low111 Ų11193.9 Ų93.948%0.48349%0.486SS..Hα-helixtrans-78.2-26171.8177.2169.816948.30111.9V1285 A1286 E1287 D1293V1285-K1289 VanDerWaalsContact O-CA 3.29Å; V1285-K1289 WeakPolarHBondContact O-CA 3.1Å; V1285-K1289 WeakPolarHBondContact O-CB 3.06Å; V1285-K1289 PolarHBondContact O-N 3.07Å; A1286-K1289 CarbonylContact O-C 3.48Å; E1287-K1289 VanDerWaalsContact C-N 3.32Å; K1289-D1293 WeakPolarHBondContact CE-OD2 3.2Å; K1289-D1293 WeakPolarHBondContact CG-OD1 3.3Å; K1289-D1293 WeakPolarHBondContact CG-OD2 3.44Å; K1289-D1293 IonicContact NZ-OD1 3.26Å; K1289-D1293 PolarHBondContact NZ-OD1 3.33Å; K1289-D1293 IonicContact NZ-OD2 3.75Å; K1289-D1293 PolarHBondContact NZ-OD2 2.91Å; K1289-D1293 VanDerWaalsContact O-CA 3.29Å; K1289-D1293 WeakPolarHBondContact O-CA 3.42Å; K1289-D1293 WeakPolarHBondContact O-CB 3.04Å; K1289-D1293 PolarHBondContact O-N 3.43Å
1290A69.2Low67.6Low56 Ų5689 Ų8946%0.46346%0.464SS..Hα-helixtrans-75.1-39.3170.200000110.2A1286 E1287 E1294A1286-A1290 WeakPolarHBondContact O-CA 3.11Å; A1286-A1290 WeakPolarHBondContact O-CB 3.49Å; A1286-A1290 PolarHBondContact O-N 3.03Å; E1287-A1290 PolarHBondContact O-N 3.45Å; A1290-E1294 WeakPolarHBondContact O-CA 3.48Å; A1290-E1294 WeakPolarHBondContact O-CB 3.44Å; A1290-E1294 PolarHBondContact O-N 3Å
1291N75Confident66.4Low80 Ų8094.2 Ų94.243%0.42848%0.476SS..Hα-helixtrans-72.2-31.8172.6-76.5-60.7000112.2E1287 L1288 L1295E1287-N1291 WeakPolarHBondContact CG-ND2 3.47Å; E1287-N1291 WeakPolarHBondContact O-CB 3.32Å; E1287-N1291 VanDerWaalsContact O-CG 3.29Å; E1287-N1291 PolarHBondContact O-N 2.77Å; E1287-N1291 PolarHBondContact O-ND2 2.97Å; L1288-N1291 CarbonylContact O-C 3.51Å; N1291-L1295 WeakPolarHBondContact O-CA 3.08Å; N1291-L1295 WeakPolarHBondContact O-CB 3.25Å; N1291-L1295 PolarHBondContact O-N 3.27Å
1292V71Confident65.2Low64 Ų6496.3 Ų96.339%0.38849%0.487SS..Hα-helixtrans-84.4-28.9174169.80000110.4L1288 E1296L1288-V1292 HydrophobicContact CD1-CG2 3.9Å; L1288-V1292 HydrophobicContact CG-CG2 4.12Å; L1288-V1292 WeakPolarHBondContact O-CA 3.48Å; L1288-V1292 WeakPolarHBondContact O-CB 3.1Å; L1288-V1292 WeakPolarHBondContact O-CG2 3.5Å; L1288-V1292 PolarHBondContact O-N 3.33Å; V1292-E1296 WeakPolarHBondContact O-CA 3.4Å; V1292-E1296 WeakPolarHBondContact O-CB 3.09Å; V1292-E1296 PolarHBondContact O-N 3.32Å
1293D66.3Low64Low54 Ų5497.6 Ų97.629%0.28949%0.492SS..Hα-helixtrans-77.6-27.7169.8-69.1-8.8000110K1289 M1297K1289-D1293 WeakPolarHBondContact CE-OD2 3.2Å; K1289-D1293 WeakPolarHBondContact CG-OD1 3.3Å; K1289-D1293 WeakPolarHBondContact CG-OD2 3.44Å; K1289-D1293 IonicContact NZ-OD1 3.26Å; K1289-D1293 PolarHBondContact NZ-OD1 3.33Å; K1289-D1293 IonicContact NZ-OD2 3.75Å; K1289-D1293 PolarHBondContact NZ-OD2 2.91Å; K1289-D1293 VanDerWaalsContact O-CA 3.29Å; K1289-D1293 WeakPolarHBondContact O-CA 3.42Å; K1289-D1293 WeakPolarHBondContact O-CB 3.04Å; K1289-D1293 PolarHBondContact O-N 3.43Å; D1293-M1297 WeakPolarHBondContact O-CA 3.36Å; D1293-M1297 WeakPolarHBondContact O-CB 3.49Å; D1293-M1297 WeakPolarHBondContact O-CG 3.14Å; D1293-M1297 PolarHBondContact O-N 2.91Å
1294E64.9Low62.6Low115 Ų11598.1 Ų98.154%0.53749%0.491SS..Hα-helixtrans-78.7-41170.1178175.2-168.100110.6A1290 N1298A1290-E1294 WeakPolarHBondContact O-CA 3.48Å; A1290-E1294 WeakPolarHBondContact O-CB 3.44Å; A1290-E1294 PolarHBondContact O-N 3Å; E1294-N1298 VanDerWaalsContact CG-ND2 3.33Å; E1294-N1298 WeakPolarHBondContact CG-ND2 3.38Å; E1294-N1298 WeakPolarHBondContact O-CB 3.45Å; E1294-N1298 VanDerWaalsContact O-CG 3.28Å; E1294-N1298 PolarHBondContact O-N 3.28Å; E1294-N1298 PolarHBondContact O-ND2 3.02Å
1295L70Confident61.2Low111 Ų11197.6 Ų97.658%0.58150%0.496SS*.Hα-helixtrans-72.8-31.7174.3-168.274.5000110.3N1291 V1299N1291-L1295 WeakPolarHBondContact O-CA 3.08Å; N1291-L1295 WeakPolarHBondContact O-CB 3.25Å; N1291-L1295 PolarHBondContact O-N 3.27Å; L1295-V1299 HydrophobicContact CD1-CG2 4.24Å; L1295-V1299 HydrophobicContact CG-CG2 4.05Å; L1295-V1299 WeakPolarHBondContact O-CA 3.38Å; L1295-V1299 WeakPolarHBondContact O-CB 3.42Å; L1295-V1299 WeakPolarHBondContact O-CG2 3.32Å; L1295-V1299 PolarHBondContact O-N 2.78Å
1296E58Low59.8Low101 Ų10195.9 Ų95.947%0.47248%0.484SS..Hα-helixtrans-65.7-74.1164.7-166.9159-153.800105.2V1292 N1298 V1299 T1300V1292-E1296 WeakPolarHBondContact O-CA 3.4Å; V1292-E1296 WeakPolarHBondContact O-CB 3.09Å; V1292-E1296 PolarHBondContact O-N 3.32Å; E1296-N1298 CarbonylContact O-C 3.15Å; E1296-N1298 VanDerWaalsContact O-C 3.31Å; E1296-N1298 PolarHBondContact O-N 3.35Å; E1296-V1299 CarbonylContact O-C 3.59Å; E1296-V1299 WeakPolarHBondContact O-CA 3.49Å; E1296-V1299 PolarHBondContact O-N 3.2Å; E1296-T1300 WeakPolarHBondContact CA-OG1 3.2Å; E1296-T1300 HydrophobicContact CG-CG2 4.45Å; E1296-T1300 WeakPolarHBondContact CG-OG1 3.34Å; E1296-T1300 VanDerWaalsContact O-CA 3.29Å; E1296-T1300 WeakPolarHBondContact O-CA 3.3Å; E1296-T1300 WeakPolarHBondContact O-CB 3.49Å; E1296-T1300 PolarHBondContact O-N 3.36Å; E1296-T1300 PolarHBondContact O-OG1 2.64Å
1297M54.4Low58.7Low127 Ų12797.5 Ų97.563%0.62650%0.497SS*.Hα-helixtrans-40.5-29.6176.1-75175.259.900116.7D1293 R1301D1293-M1297 WeakPolarHBondContact O-CA 3.36Å; D1293-M1297 WeakPolarHBondContact O-CB 3.49Å; D1293-M1297 WeakPolarHBondContact O-CG 3.14Å; D1293-M1297 PolarHBondContact O-N 2.91Å; M1297-R1301 WeakPolarHBondContact O-CB 3.44Å; M1297-R1301 WeakPolarHBondContact O-CD 3.08Å; M1297-R1301 WeakPolarHBondContact O-CG 3.28Å; M1297-R1301 PolarHBondContact O-N 2.72Å
1298N53.6Low57.5Low51 Ų5197 Ų9727%0.27350%0.495SS..Hα-helixtrans-82.2-49.5166.6-73.6-56000114.4E1294 E1296 T1300 R1301 L1302E1294-N1298 VanDerWaalsContact CG-ND2 3.33Å; E1294-N1298 WeakPolarHBondContact CG-ND2 3.38Å; E1294-N1298 WeakPolarHBondContact O-CB 3.45Å; E1294-N1298 VanDerWaalsContact O-CG 3.28Å; E1294-N1298 PolarHBondContact O-N 3.28Å; E1294-N1298 PolarHBondContact O-ND2 3.02Å; E1296-N1298 CarbonylContact O-C 3.15Å; E1296-N1298 VanDerWaalsContact O-C 3.31Å; E1296-N1298 PolarHBondContact O-N 3.35Å; N1298-T1300 PolarHBondContact O-N 2.79Å; N1298-R1301 CarbonylContact O-C 3.59Å; N1298-R1301 PolarHBondContact O-N 3.11Å; N1298-R1301 PolarHBondContact OD1-NH1 2.76Å; N1298-L1302 VanDerWaalsContact O-CB 3.26Å; N1298-L1302 WeakPolarHBondContact O-CB 3.49Å; N1298-L1302 WeakPolarHBondContact O-CD1 3.47Å; N1298-L1302 WeakPolarHBondContact O-CG 3.29Å; N1298-L1302 PolarHBondContact O-N 3.27Å
1299V57.4Low55.9Low51 Ų5193 Ų9331%0.30948%0.479SS..Hα-helixtrans-68.2-10.4172.11740000112.2L1295 E1296 L1302 R1303L1295-V1299 HydrophobicContact CD1-CG2 4.24Å; L1295-V1299 HydrophobicContact CG-CG2 4.05Å; L1295-V1299 WeakPolarHBondContact O-CA 3.38Å; L1295-V1299 WeakPolarHBondContact O-CB 3.42Å; L1295-V1299 WeakPolarHBondContact O-CG2 3.32Å; L1295-V1299 PolarHBondContact O-N 2.78Å; E1296-V1299 CarbonylContact O-C 3.59Å; E1296-V1299 WeakPolarHBondContact O-CA 3.49Å; E1296-V1299 PolarHBondContact O-N 3.2Å; V1299-L1302 CarbonylContact O-C 3.52Å; V1299-L1302 VanDerWaalsContact O-C 3.23Å; V1299-R1303 HydrophobicContact CG1-CG 4.05Å; V1299-R1303 WeakPolarHBondContact O-CA 3.22Å; V1299-R1303 WeakPolarHBondContact O-CB 3.41Å; V1299-R1303 WeakPolarHBondContact O-CD 3.37Å; V1299-R1303 WeakPolarHBondContact O-CG 3.48Å; V1299-R1303 PolarHBondContact O-N 2.93Å
1300T51.4Low54.8Low24 Ų2489.9 Ų89.915%0.14747%0.474CS..Hα-helixtrans-106.5-40.9-176.7-62.80000106.7E1296 N1298 L1302 R1303 E1304 T1305E1296-T1300 WeakPolarHBondContact CA-OG1 3.2Å; E1296-T1300 HydrophobicContact CG-CG2 4.45Å; E1296-T1300 WeakPolarHBondContact CG-OG1 3.34Å; E1296-T1300 VanDerWaalsContact O-CA 3.29Å; E1296-T1300 WeakPolarHBondContact O-CA 3.3Å; E1296-T1300 WeakPolarHBondContact O-CB 3.49Å; E1296-T1300 PolarHBondContact O-N 3.36Å; E1296-T1300 PolarHBondContact O-OG1 2.64Å; N1298-T1300 PolarHBondContact O-N 2.79Å; T1300-L1302 PolarHBondContact O-N 3.37Å; T1300-R1303 PolarHBondContact O-N 3.28Å; T1300-E1304 HydrophobicContact CG2-CB 3.48Å; T1300-E1304 VanDerWaalsContact CG2-CB 3.48Å; T1300-E1304 HydrophobicContact CG2-CG 3.51Å; T1300-E1304 WeakPolarHBondContact CG2-OE1 3.49Å; T1300-E1304 WeakPolarHBondContact CG2-OE2 3.04Å; T1300-E1304 CarbonylContact O-C 3.46Å; T1300-E1304 WeakPolarHBondContact O-CA 3.14Å; T1300-E1304 WeakPolarHBondContact O-CB 3.26Å; T1300-E1304 PolarHBondContact O-N 3.14Å; T1300-T1305 PolarHBondContact O-N 3.15Å
1301R50.1Low54.3Low180 Ų18092.9 Ų92.968%0.67948%0.475SS*.THydrogen-bonded Turntrans-56.2-15.9152.1-83.5164.550.4-139.7-9.9114M1297 N1298M1297-R1301 WeakPolarHBondContact O-CB 3.44Å; M1297-R1301 WeakPolarHBondContact O-CD 3.08Å; M1297-R1301 WeakPolarHBondContact O-CG 3.28Å; M1297-R1301 PolarHBondContact O-N 2.72Å; N1298-R1301 CarbonylContact O-C 3.59Å; N1298-R1301 PolarHBondContact O-N 3.11Å; N1298-R1301 PolarHBondContact OD1-NH1 2.76Å
1302L48.7Very low53.1Low136 Ų13691.6 Ų91.671%0.71247%0.468SS*.THydrogen-bonded Turntrans-114.61.5177.3-66.9163.8000115.1N1298 V1299 T1300N1298-L1302 VanDerWaalsContact O-CB 3.26Å; N1298-L1302 WeakPolarHBondContact O-CB 3.49Å; N1298-L1302 WeakPolarHBondContact O-CD1 3.47Å; N1298-L1302 WeakPolarHBondContact O-CG 3.29Å; N1298-L1302 PolarHBondContact O-N 3.27Å; V1299-L1302 CarbonylContact O-C 3.52Å; V1299-L1302 VanDerWaalsContact O-C 3.23Å; T1300-L1302 PolarHBondContact O-N 3.37Å
1303R46.1Very low52.2Low194 Ų19492.9 Ų92.973%0.73248%0.475SS*.THydrogen-bonded Turntrans-140.3-34.8175.3-67.1169.284.9-176.42.7112.6V1299 T1300 T1305V1299-R1303 HydrophobicContact CG1-CG 4.05Å; V1299-R1303 WeakPolarHBondContact O-CA 3.22Å; V1299-R1303 WeakPolarHBondContact O-CB 3.41Å; V1299-R1303 WeakPolarHBondContact O-CD 3.37Å; V1299-R1303 WeakPolarHBondContact O-CG 3.48Å; V1299-R1303 PolarHBondContact O-N 2.93Å; T1300-R1303 PolarHBondContact O-N 3.28Å; R1303-T1305 CarbonylContact O-C 3.6Å; R1303-T1305 PolarHBondContact O-N 2.66Å; R1303-T1305 VanDerWaalsContact O-O 3.06Å; R1303-T1305 PolarHBondContact O-OG1 3.21Å
1304E43.6Very low51.6Low119 Ų11994.6 Ų94.656%0.55649%0.488SS*.  trans-8033152.8-74.7-179.9-154.400112.5T1300 D1306T1300-E1304 HydrophobicContact CG2-CB 3.48Å; T1300-E1304 VanDerWaalsContact CG2-CB 3.48Å; T1300-E1304 HydrophobicContact CG2-CG 3.51Å; T1300-E1304 WeakPolarHBondContact CG2-OE1 3.49Å; T1300-E1304 WeakPolarHBondContact CG2-OE2 3.04Å; T1300-E1304 CarbonylContact O-C 3.46Å; T1300-E1304 WeakPolarHBondContact O-CA 3.14Å; T1300-E1304 WeakPolarHBondContact O-CB 3.26Å; T1300-E1304 PolarHBondContact O-N 3.14Å; E1304-D1306 VanDerWaalsContact CA-N 3.3Å; E1304-D1306 HydrophobicContact CB-CB 3.76Å; E1304-D1306 HydrophobicContact CG-CB 3.86Å; E1304-D1306 PolarHBondContact O-N 3.14Å
1305T44.4Very low51.5Low106 Ų10694.9 Ų94.965%0.6548%0.484SS*.SBend-53.170.9113.446.80000109.1T1300 R1303 A1307T1300-T1305 PolarHBondContact O-N 3.15Å; R1303-T1305 CarbonylContact O-C 3.6Å; R1303-T1305 PolarHBondContact O-N 2.66Å; R1303-T1305 VanDerWaalsContact O-O 3.06Å; R1303-T1305 PolarHBondContact O-OG1 3.21Å; T1305-A1307 PolarHBondContact O-N 2.72Å
1306D44.6Very low51Low44 Ų4495.1 Ų95.124%0.23548%0.482CS..  trans-80.198.8-151.8-175.3-7.8000111.1E1304 Q1308 G1309 A1310 Y1311E1304-D1306 VanDerWaalsContact CA-N 3.3Å; E1304-D1306 HydrophobicContact CB-CB 3.76Å; E1304-D1306 HydrophobicContact CG-CB 3.86Å; E1304-D1306 PolarHBondContact O-N 3.14Å; D1306-Q1308 PolarHBondContact O-N 2.9Å; D1306-Q1308 PolarHBondContact OD1-N 3.43Å; D1306-G1309 VanDerWaalsContact CG-CA 3.43Å; D1306-G1309 PolarHBondContact OD1-N 2.67Å; D1306-G1309 WeakPolarHBondContact OD2-CA 3.24Å; D1306-G1309 PolarHBondContact OD2-N 2.78Å; D1306-A1310 HydrophobicContact CB-CB 4.21Å; D1306-A1310 CarbonylContact O-C 3.39Å; D1306-A1310 WeakPolarHBondContact O-CA 3.45Å; D1306-A1310 WeakPolarHBondContact O-CB 3.39Å; D1306-A1310 PolarHBondContact O-N 3.38Å; D1306-Y1311 PolarHBondContact O-N 2.94Å
1307A46.8Very low50.8Low88 Ų8892.6 Ų92.673%0.72748%0.479SS*.THydrogen-bonded Turntrans-63.4-10.5-18000000114T1305 Y1311T1305-A1307 PolarHBondContact O-N 2.72Å; A1307-Y1311 WeakPolarHBondContact O-CB 3.26Å
1308Q46.9Very low51.6Low119 Ų11989 Ų8956%0.55647%0.47SS*.THydrogen-bonded Turntrans-115.7-36.7-179.4-165.661.441.900113.9D1306 Y1311 N1312D1306-Q1308 PolarHBondContact O-N 2.9Å; D1306-Q1308 PolarHBondContact OD1-N 3.43Å; Q1308-Y1311 CarbonylContact O-C 3.36Å; Q1308-Y1311 WeakPolarHBondContact O-CB 3.39Å; Q1308-N1312 WeakPolarHBondContact O-CB 3.02Å; Q1308-N1312 VanDerWaalsContact O-CG 3.24Å; Q1308-N1312 PolarHBondContact O-N 3.17Å; Q1308-N1312 PolarHBondContact O-ND2 3.31Å
1309G42Very low52.3Low21 Ų2192.2 Ų92.222%0.21648%0.483CS..Hα-helixtrans-97-21173.200000114.2D1306 Y1311 V1313D1306-G1309 VanDerWaalsContact CG-CA 3.43Å; D1306-G1309 PolarHBondContact OD1-N 2.67Å; D1306-G1309 WeakPolarHBondContact OD2-CA 3.24Å; D1306-G1309 PolarHBondContact OD2-N 2.78Å; G1309-Y1311 VanDerWaalsContact C-N 3.31Å; G1309-V1313 WeakPolarHBondContact O-CA 3.33Å; G1309-V1313 WeakPolarHBondContact O-CB 3.03Å; G1309-V1313 WeakPolarHBondContact O-CG2 3.49Å; G1309-V1313 PolarHBondContact O-N 3.45Å
1310A46.8Very low52.7Low46 Ų4694.3 Ų94.338%0.3850%0.496SS..Hα-helixtrans-81.5-10.5151.800000111.5D1306 T1314D1306-A1310 HydrophobicContact CB-CB 4.21Å; D1306-A1310 CarbonylContact O-C 3.39Å; D1306-A1310 WeakPolarHBondContact O-CA 3.45Å; D1306-A1310 WeakPolarHBondContact O-CB 3.39Å; D1306-A1310 PolarHBondContact O-N 3.38Å; A1310-T1314 WeakPolarHBondContact O-CA 3.37Å; A1310-T1314 WeakPolarHBondContact O-CB 3.32Å; A1310-T1314 WeakPolarHBondContact O-CG2 3.26Å; A1310-T1314 PolarHBondContact O-N 2.83Å; A1310-T1314 PolarHBondContact O-OG1 3.24Å
1311Y58.7Low53.2Low120 Ų12096.3 Ų96.347%0.47151%0.51SS..Hα-helixtrans-79.7-38157.2170.6-90.9000112.2D1306 A1307 Q1308 G1309 T1314 R1315D1306-Y1311 PolarHBondContact O-N 2.94Å; A1307-Y1311 WeakPolarHBondContact O-CB 3.26Å; Q1308-Y1311 CarbonylContact O-C 3.36Å; Q1308-Y1311 WeakPolarHBondContact O-CB 3.39Å; G1309-Y1311 VanDerWaalsContact C-N 3.31Å; Y1311-T1314 WeakPolarHBondContact CA-OG1 3.28Å; Y1311-T1314 CarbonylContact O-C 3.48Å; Y1311-T1314 PolarHBondContact O-N 3.34Å; Y1311-R1315 WeakPolarHBondContact O-CA 3.04Å; Y1311-R1315 WeakPolarHBondContact O-CB 3.02Å; Y1311-R1315 PolarHBondContact O-N 2.03Å
1312N50.1Low54.2Low53 Ų5392 Ų9228%0.28350%0.5SS..Hα-helixtrans-73.9-34.2173.9-73.3-27.2000111Q1308 R1315 E1316Q1308-N1312 WeakPolarHBondContact O-CB 3.02Å; Q1308-N1312 VanDerWaalsContact O-CG 3.24Å; Q1308-N1312 PolarHBondContact O-N 3.17Å; Q1308-N1312 PolarHBondContact O-ND2 3.31Å; N1312-R1315 CarbonylContact O-C 3.53Å; N1312-R1315 PolarHBondContact O-N 3.27Å; N1312-R1315 VanDerWaalsContact OD1-CZ 3.25Å; N1312-R1315 PolarHBondContact OD1-NH1 3.47Å; N1312-R1315 PolarHBondContact OD1-NH2 3.06Å; N1312-E1316 VanDerWaalsContact O-CB 3.27Å; N1312-E1316 WeakPolarHBondContact O-CB 3.38Å; N1312-E1316 WeakPolarHBondContact O-CG 3.4Å; N1312-E1316 PolarHBondContact O-N 3.15Å
1313V50.7Low55.1Low91 Ų9190.5 Ų90.555%0.55249%0.49SS*.Hα-helixtrans-75.4-29.8168.5172.70000111.2G1309 R1315 A1317G1309-V1313 WeakPolarHBondContact O-CA 3.33Å; G1309-V1313 WeakPolarHBondContact O-CB 3.03Å; G1309-V1313 WeakPolarHBondContact O-CG2 3.49Å; G1309-V1313 PolarHBondContact O-N 3.45Å; V1313-R1315 VanDerWaalsContact C-N 3.33Å; V1313-A1317 WeakPolarHBondContact O-CA 2.95Å; V1313-A1317 WeakPolarHBondContact O-CB 3.33Å; V1313-A1317 PolarHBondContact O-N 3.44Å
1314T54.3Low55.9Low90 Ų9083.8 Ų83.855%0.55248%0.475SS*.Hα-helixtrans-82.1-4.3164.157.40000113.9A1310 Y1311 A1318A1310-T1314 WeakPolarHBondContact O-CA 3.37Å; A1310-T1314 WeakPolarHBondContact O-CB 3.32Å; A1310-T1314 WeakPolarHBondContact O-CG2 3.26Å; A1310-T1314 PolarHBondContact O-N 2.83Å; A1310-T1314 PolarHBondContact O-OG1 3.24Å; Y1311-T1314 WeakPolarHBondContact CA-OG1 3.28Å; Y1311-T1314 CarbonylContact O-C 3.48Å; Y1311-T1314 PolarHBondContact O-N 3.34Å; T1314-A1318 WeakPolarHBondContact O-CA 3.09Å; T1314-A1318 WeakPolarHBondContact O-CB 3.39Å; T1314-A1318 PolarHBondContact O-N 2.92Å
1315R63.4Low57Low121 Ų12182.6 Ų82.646%0.45747%0.47SS..Hα-helixtrans-94.8-44.5172.4-175.1-17271.5-173.9-0.2110.3Y1311 N1312 V1313 A1318 Q1319Y1311-R1315 WeakPolarHBondContact O-CA 3.04Å; Y1311-R1315 WeakPolarHBondContact O-CB 3.02Å; Y1311-R1315 PolarHBondContact O-N 2.03Å; N1312-R1315 CarbonylContact O-C 3.53Å; N1312-R1315 PolarHBondContact O-N 3.27Å; N1312-R1315 VanDerWaalsContact OD1-CZ 3.25Å; N1312-R1315 PolarHBondContact OD1-NH1 3.47Å; N1312-R1315 PolarHBondContact OD1-NH2 3.06Å; V1313-R1315 VanDerWaalsContact C-N 3.33Å; R1315-A1318 CarbonylContact O-C 3.55Å; R1315-A1318 WeakPolarHBondContact O-CA 3.43Å; R1315-A1318 PolarHBondContact O-N 3.42Å; R1315-Q1319 VanDerWaalsContact O-CB 3.22Å; R1315-Q1319 WeakPolarHBondContact O-CB 3.31Å; R1315-Q1319 PolarHBondContact O-N 3.29Å
1316E58.9Low58.1Low115 Ų11583.4 Ų83.454%0.53747%0.466SS..Hα-helixtrans-69.2-42.1167.3-72.3-177.6165.300110.1N1312 A1318 Q1319 V1320N1312-E1316 VanDerWaalsContact O-CB 3.27Å; N1312-E1316 WeakPolarHBondContact O-CB 3.38Å; N1312-E1316 WeakPolarHBondContact O-CG 3.4Å; N1312-E1316 PolarHBondContact O-N 3.15Å; E1316-A1318 VanDerWaalsContact C-N 3.29Å; E1316-A1318 PolarHBondContact O-N 2.78Å; E1316-Q1319 CarbonylContact O-C 3.38Å; E1316-Q1319 PolarHBondContact O-N 2.92Å; E1316-Q1319 VanDerWaalsContact O-N 3.08Å; E1316-V1320 VanDerWaalsContact O-CB 3.27Å; E1316-V1320 WeakPolarHBondContact O-CB 3.4Å; E1316-V1320 VanDerWaalsContact O-CG2 3.29Å; E1316-V1320 WeakPolarHBondContact O-CG2 3.02Å; E1316-V1320 PolarHBondContact O-N 3.44Å
1317A53.9Low59Low49 Ų4990.2 Ų90.241%0.40549%0.489SS..Hα-helixtrans-74.1-13.5165.900000113V1313 S1321V1313-A1317 WeakPolarHBondContact O-CA 2.95Å; V1313-A1317 WeakPolarHBondContact O-CB 3.33Å; V1313-A1317 PolarHBondContact O-N 3.44Å; A1317-S1321 VanDerWaalsContact O-CA 3.26Å; A1317-S1321 WeakPolarHBondContact O-CA 3.23Å; A1317-S1321 WeakPolarHBondContact O-CB 3.49Å; A1317-S1321 PolarHBondContact O-N 3.08Å
1318A71.2Confident59.6Low52 Ų5288.2 Ų88.243%0.4347%0.472SS..Hα-helixtrans-82.3-19.2161.400000112.3T1314 R1315 E1316 L1322T1314-A1318 WeakPolarHBondContact O-CA 3.09Å; T1314-A1318 WeakPolarHBondContact O-CB 3.39Å; T1314-A1318 PolarHBondContact O-N 2.92Å; R1315-A1318 CarbonylContact O-C 3.55Å; R1315-A1318 WeakPolarHBondContact O-CA 3.43Å; R1315-A1318 PolarHBondContact O-N 3.42Å; E1316-A1318 VanDerWaalsContact C-N 3.29Å; E1316-A1318 PolarHBondContact O-N 2.78Å; A1318-L1322 WeakPolarHBondContact O-CA 3.19Å; A1318-L1322 WeakPolarHBondContact O-CB 3.26Å; A1318-L1322 PolarHBondContact O-N 2.78Å
1319Q69.4Low60.5Low118 Ų11886.5 Ų86.555%0.55147%0.467SS*.Hα-helixtrans-89.1-39178.2-160.7167.5-4.600109.9R1315 E1316 L1322 Q1323R1315-Q1319 VanDerWaalsContact O-CB 3.22Å; R1315-Q1319 WeakPolarHBondContact O-CB 3.31Å; R1315-Q1319 PolarHBondContact O-N 3.29Å; E1316-Q1319 CarbonylContact O-C 3.38Å; E1316-Q1319 PolarHBondContact O-N 2.92Å; E1316-Q1319 VanDerWaalsContact O-N 3.08Å; Q1319-L1322 PolarHBondContact O-N 2.79Å; Q1319-Q1323 WeakPolarHBondContact O-CB 3.5Å; Q1319-Q1323 WeakPolarHBondContact O-CG 3.33Å; Q1319-Q1323 PolarHBondContact O-N 2.63Å
1320V64.8Low61.3Low95 Ų9588.6 Ų88.658%0.57648%0.482SS*.Hα-helixtrans-69.4-35.8163.5175.30000110.5E1316 A1324E1316-V1320 VanDerWaalsContact O-CB 3.27Å; E1316-V1320 WeakPolarHBondContact O-CB 3.4Å; E1316-V1320 VanDerWaalsContact O-CG2 3.29Å; E1316-V1320 WeakPolarHBondContact O-CG2 3.02Å; E1316-V1320 PolarHBondContact O-N 3.44Å; V1320-A1324 WeakPolarHBondContact O-CA 3.47Å; V1320-A1324 WeakPolarHBondContact O-CB 3.49Å; V1320-A1324 PolarHBondContact O-N 3.22Å
1321S61.5Low61.9Low65 Ų6589.2 Ų89.246%0.45548%0.481SS..Hα-helixtrans-73.9-29.9168.6-173.10000111.9A1317 A1324 Q1325A1317-S1321 VanDerWaalsContact O-CA 3.26Å; A1317-S1321 WeakPolarHBondContact O-CA 3.23Å; A1317-S1321 WeakPolarHBondContact O-CB 3.49Å; A1317-S1321 PolarHBondContact O-N 3.08Å; S1321-A1324 CarbonylContact O-C 3.53Å; S1321-A1324 PolarHBondContact O-N 3.48Å; S1321-Q1325 VanDerWaalsContact O-CA 3.31Å; S1321-Q1325 WeakPolarHBondContact O-CA 3.46Å; S1321-Q1325 WeakPolarHBondContact O-CB 2.99Å; S1321-Q1325 PolarHBondContact O-N 2.87Å
1322L71.7Confident62.3Low91 Ų9190.2 Ų90.248%0.47649%0.49SS..Hα-helixtrans-73.6-32.2172.4-167.779.2000110.9A1318 Q1319 Q1326A1318-L1322 WeakPolarHBondContact O-CA 3.19Å; A1318-L1322 WeakPolarHBondContact O-CB 3.26Å; A1318-L1322 PolarHBondContact O-N 2.78Å; Q1319-L1322 PolarHBondContact O-N 2.79Å; L1322-Q1326 VanDerWaalsContact O-CB 3.3Å; L1322-Q1326 WeakPolarHBondContact O-CB 3.36Å; L1322-Q1326 WeakPolarHBondContact O-CG 3.2Å; L1322-Q1326 PolarHBondContact O-N 3.41Å
1323Q67.8Low63.1Low104 Ų10495.1 Ų95.149%0.48651%0.509SS..Hα-helixtrans-75.2-36.3170.1-76.6-176.5-0.500112.1Q1319 Q1325 Q1326 R1327Q1319-Q1323 WeakPolarHBondContact O-CB 3.5Å; Q1319-Q1323 WeakPolarHBondContact O-CG 3.33Å; Q1319-Q1323 PolarHBondContact O-N 2.63Å; Q1323-Q1325 VanDerWaalsContact C-N 3.32Å; Q1323-Q1326 PolarHBondContact O-N 2.87Å; Q1323-R1327 WeakPolarHBondContact O-CB 3.39Å; Q1323-R1327 VanDerWaalsContact O-CG 3.23Å; Q1323-R1327 WeakPolarHBondContact O-CG 3Å; Q1323-R1327 PolarHBondContact O-N 2.78Å
1324A63Low63.5Low52 Ų5294.5 Ų94.543%0.4351%0.505SS..Hα-helixtrans-72.6-27.8172.500000111.4V1320 S1321 R1327 A1328V1320-A1324 WeakPolarHBondContact O-CA 3.47Å; V1320-A1324 WeakPolarHBondContact O-CB 3.49Å; V1320-A1324 PolarHBondContact O-N 3.22Å; S1321-A1324 CarbonylContact O-C 3.53Å; S1321-A1324 PolarHBondContact O-N 3.48Å; A1324-R1327 CarbonylContact O-C 3.55Å; A1324-A1328 WeakPolarHBondContact O-CA 3.34Å; A1324-A1328 WeakPolarHBondContact O-CB 3.19Å; A1324-A1328 PolarHBondContact O-N 2.68Å
1325Q65.4Low64.1Low95 Ų9594.2 Ų94.244%0.44450%0.5SS..Hα-helixtrans-76.9-41.7171-178.7174.64.200109.7S1321 Q1323 R1327 A1328 D1329S1321-Q1325 VanDerWaalsContact O-CA 3.31Å; S1321-Q1325 WeakPolarHBondContact O-CA 3.46Å; S1321-Q1325 WeakPolarHBondContact O-CB 2.99Å; S1321-Q1325 PolarHBondContact O-N 2.87Å; Q1323-Q1325 VanDerWaalsContact C-N 3.32Å; Q1325-R1327 PolarHBondContact O-N 2.86Å; Q1325-A1328 CarbonylContact O-C 3.42Å; Q1325-A1328 PolarHBondContact O-N 2.03Å; Q1325-D1329 WeakPolarHBondContact CG-OD1 3.03Å; Q1325-D1329 WeakPolarHBondContact CG-OD2 3.26Å; Q1325-D1329 WeakPolarHBondContact O-CA 3.2Å; Q1325-D1329 WeakPolarHBondContact O-CB 3.26Å; Q1325-D1329 PolarHBondContact O-N 3.4Å
1326Q68Low64.6Low123 Ų12390 Ų9058%0.57549%0.493SS*.Hα-helixtrans-61.4-34.3168.6-78.4173.4-3.500111.6L1322 Q1323 A1330L1322-Q1326 VanDerWaalsContact O-CB 3.3Å; L1322-Q1326 WeakPolarHBondContact O-CB 3.36Å; L1322-Q1326 WeakPolarHBondContact O-CG 3.2Å; L1322-Q1326 PolarHBondContact O-N 3.41Å; Q1323-Q1326 PolarHBondContact O-N 2.87Å; Q1326-A1330 WeakPolarHBondContact O-CB 3.3Å; Q1326-A1330 PolarHBondContact O-N 2.94Å
1327R63.3Low65Low187 Ų18789.7 Ų89.771%0.70649%0.492SS*.Hα-helixtrans-72.1-32.9169.4-72.4171.8-179.8179.92112.5Q1323 A1324 Q1325 T1331Q1323-R1327 WeakPolarHBondContact O-CB 3.39Å; Q1323-R1327 VanDerWaalsContact O-CG 3.23Å; Q1323-R1327 WeakPolarHBondContact O-CG 3Å; Q1323-R1327 PolarHBondContact O-N 2.78Å; A1324-R1327 CarbonylContact O-C 3.55Å; Q1325-R1327 PolarHBondContact O-N 2.86Å; R1327-T1331 WeakPolarHBondContact O-CG2 3.42Å; R1327-T1331 PolarHBondContact O-N 3.22Å
1328A59.8Low65Low45 Ų4590.1 Ų90.137%0.37249%0.492SS..Hα-helixtrans-80.7-39.2-179.200000113A1324 Q1325 A1330 T1331 E1332A1324-A1328 WeakPolarHBondContact O-CA 3.34Å; A1324-A1328 WeakPolarHBondContact O-CB 3.19Å; A1324-A1328 PolarHBondContact O-N 2.68Å; Q1325-A1328 CarbonylContact O-C 3.42Å; Q1325-A1328 PolarHBondContact O-N 2.03Å; A1328-A1330 VanDerWaalsContact C-N 3.35Å; A1328-T1331 VanDerWaalsContact C-OG1 3.31Å; A1328-T1331 VanDerWaalsContact CA-OG1 3.24Å; A1328-T1331 WeakPolarHBondContact CA-OG1 3.03Å; A1328-T1331 CarbonylContact O-C 3.4Å; A1328-T1331 VanDerWaalsContact O-CA 3.25Å; A1328-T1331 WeakPolarHBondContact O-CA 2.91Å; A1328-T1331 WeakPolarHBondContact O-CB 3.25Å; A1328-T1331 PolarHBondContact O-N 2.98Å; A1328-T1331 PolarHBondContact O-OG1 2.74Å; A1328-E1332 PolarHBondContact O-N 2.84Å
1329D65.5Low65Low83 Ų8393.7 Ų93.744%0.44450%0.5SS..Hα-helixtrans-66.2-37.7168.8-60.5-5.4000109.4Q1325 T1331 E1332Q1325-D1329 WeakPolarHBondContact CG-OD1 3.03Å; Q1325-D1329 WeakPolarHBondContact CG-OD2 3.26Å; Q1325-D1329 WeakPolarHBondContact O-CA 3.2Å; Q1325-D1329 WeakPolarHBondContact O-CB 3.26Å; Q1325-D1329 PolarHBondContact O-N 3.4Å; D1329-T1331 VanDerWaalsContact C-N 3.28Å; D1329-T1331 PolarHBondContact O-N 3.44Å; D1329-E1332 WeakPolarHBondContact O-CB 3.3Å; D1329-E1332 PolarHBondContact O-N 3.38Å
1330A60.3Low65.2Low66 Ų6691.7 Ų91.755%0.54550%0.496SS..Hα-helixtrans-63.3-34.216600000112.1Q1326 A1328 E1332Q1326-A1330 WeakPolarHBondContact O-CB 3.3Å; Q1326-A1330 PolarHBondContact O-N 2.94Å; A1328-A1330 VanDerWaalsContact C-N 3.35Å; A1330-E1332 VanDerWaalsContact C-N 3.31Å
1331T59.4Low65.4Low59 Ų5991.6 Ų91.636%0.36249%0.489SS..Hα-helixtrans-76.2-6.1166.262.80000114.2R1327 A1328 D1329 K1333 T1334 I1335R1327-T1331 WeakPolarHBondContact O-CG2 3.42Å; R1327-T1331 PolarHBondContact O-N 3.22Å; A1328-T1331 VanDerWaalsContact C-OG1 3.31Å; A1328-T1331 VanDerWaalsContact CA-OG1 3.24Å; A1328-T1331 WeakPolarHBondContact CA-OG1 3.03Å; A1328-T1331 CarbonylContact O-C 3.4Å; A1328-T1331 VanDerWaalsContact O-CA 3.25Å; A1328-T1331 WeakPolarHBondContact O-CA 2.91Å; A1328-T1331 WeakPolarHBondContact O-CB 3.25Å; A1328-T1331 PolarHBondContact O-N 2.98Å; A1328-T1331 PolarHBondContact O-OG1 2.74Å; D1329-T1331 VanDerWaalsContact C-N 3.28Å; D1329-T1331 PolarHBondContact O-N 3.44Å; T1331-K1333 PolarHBondContact O-N 2.97Å; T1331-T1334 CarbonylContact O-C 3.59Å; T1331-T1334 WeakPolarHBondContact O-CA 3.24Å; T1331-T1334 WeakPolarHBondContact O-CB 3.22Å; T1331-T1334 PolarHBondContact O-N 2.99Å; T1331-I1335 VanDerWaalsContact O-CB 3.29Å; T1331-I1335 WeakPolarHBondContact O-CB 3.03Å; T1331-I1335 WeakPolarHBondContact O-CG1 3.25Å; T1331-I1335 PolarHBondContact O-N 2.83Å
1332E66.6Low65.7Low141 Ų14195.1 Ų95.166%0.65949%0.492SS*.Hα-helixtrans-61.5-39.7176.4-170.5-179.7-153.700110A1328 D1329 A1330 I1335 G1336A1328-E1332 PolarHBondContact O-N 2.84Å; D1329-E1332 WeakPolarHBondContact O-CB 3.3Å; D1329-E1332 PolarHBondContact O-N 3.38Å; A1330-E1332 VanDerWaalsContact C-N 3.31Å; E1332-I1335 PolarHBondContact O-N 2.77Å; E1332-G1336 PolarHBondContact O-N 3.01Å
1333K65.8Low65.9Low156 Ų15698.2 Ų98.268%0.67850%0.498SS*.Hα-helixtrans-61.7-44.3170.5-169.3-176.8175.3-168.30112.1T1331 I1335 G1336 E1337T1331-K1333 PolarHBondContact O-N 2.97Å; K1333-I1335 VanDerWaalsContact C-N 3.32Å; K1333-I1335 PolarHBondContact O-N 3.43Å; K1333-G1336 PolarHBondContact O-N 2.75Å; K1333-E1337 WeakPolarHBondContact CE-OE1 3.37Å; K1333-E1337 WeakPolarHBondContact O-CG 3.46Å; K1333-E1337 PolarHBondContact O-N 3.04Å
1334T60.1Low66.2Low77 Ų77100.5 Ų100.547%0.47250%0.502SS..Hα-helixtrans-68-29.8177-450000112.7T1331 S1338T1331-T1334 CarbonylContact O-C 3.59Å; T1331-T1334 WeakPolarHBondContact O-CA 3.24Å; T1331-T1334 WeakPolarHBondContact O-CB 3.22Å; T1331-T1334 PolarHBondContact O-N 2.99Å; T1334-S1338 WeakPolarHBondContact O-CB 3.33Å; T1334-S1338 PolarHBondContact O-N 3.47Å
1335I66.9Low66.1Low85 Ų85101.4 Ų101.444%0.43650%0.502SS..Hα-helixtrans-76.5-37176.4-71.8164.1000109.7T1331 E1332 K1333 S1338 E1339T1331-I1335 VanDerWaalsContact O-CB 3.29Å; T1331-I1335 WeakPolarHBondContact O-CB 3.03Å; T1331-I1335 WeakPolarHBondContact O-CG1 3.25Å; T1331-I1335 PolarHBondContact O-N 2.83Å; E1332-I1335 PolarHBondContact O-N 2.77Å; K1333-I1335 VanDerWaalsContact C-N 3.32Å; K1333-I1335 PolarHBondContact O-N 3.43Å; I1335-S1338 CarbonylContact O-C 3.48Å; I1335-S1338 PolarHBondContact O-N 2.94Å; I1335-E1339 VanDerWaalsContact O-CB 3.25Å; I1335-E1339 WeakPolarHBondContact O-CB 3.31Å; I1335-E1339 PolarHBondContact O-N 3.12Å
1336G72.5Confident66.4Low31 Ų31103 Ų10332%0.3251%0.507SS..Hα-helixtrans-66.9-40.1170.700000112.7E1332 K1333 E1339 T1340E1332-G1336 PolarHBondContact O-N 3.01Å; K1333-G1336 PolarHBondContact O-N 2.75Å; G1336-E1339 PolarHBondContact O-N 3.08Å; G1336-T1340 WeakPolarHBondContact O-CB 3.32Å; G1336-T1340 PolarHBondContact O-N 2.75Å; G1336-T1340 PolarHBondContact O-OG1 2.94Å
1337E69Low66.8Low110 Ų110101.9 Ų101.951%0.51450%0.502SS..Hα-helixtrans-61.8-45169.2-72.8167.5-170.100110.5K1333 E1339 T1340 E1341K1333-E1337 WeakPolarHBondContact CE-OE1 3.37Å; K1333-E1337 WeakPolarHBondContact O-CG 3.46Å; K1333-E1337 PolarHBondContact O-N 3.04Å; E1337-E1339 PolarHBondContact O-N 2.75Å; E1337-T1340 WeakPolarHBondContact O-CB 3.03Å; E1337-T1340 PolarHBondContact O-N 2.03Å; E1337-E1341 PolarHBondContact O-N 2.03Å
1338S53.9Low67Low57 Ų5798.4 Ų98.440%0.39950%0.497SS..Hα-helixtrans-67.3-30174.61770000114.2T1334 I1335 R1342T1334-S1338 WeakPolarHBondContact O-CB 3.33Å; T1334-S1338 PolarHBondContact O-N 3.47Å; I1335-S1338 CarbonylContact O-C 3.48Å; I1335-S1338 PolarHBondContact O-N 2.94Å; S1338-R1342 WeakPolarHBondContact O-CB 3.49Å; S1338-R1342 WeakPolarHBondContact O-CG 3.27Å; S1338-R1342 PolarHBondContact O-N 3.28Å; S1338-R1342 PolarHBondContact O-NE 2.81Å; S1338-R1342 PolarHBondContact OG-NE 3.47Å
1339E70.3Confident67.1Low127 Ų127100.3 Ų100.359%0.59350%0.501SS*.Hα-helixtrans-74.5-39.6174.5-172.5169.6-154.500110.7I1335 G1336 E1337 E1341 R1342 R1343I1335-E1339 VanDerWaalsContact O-CB 3.25Å; I1335-E1339 WeakPolarHBondContact O-CB 3.31Å; I1335-E1339 PolarHBondContact O-N 3.12Å; G1336-E1339 PolarHBondContact O-N 3.08Å; E1337-E1339 PolarHBondContact O-N 2.75Å; E1339-E1341 VanDerWaalsContact C-N 3.33Å; E1339-E1341 PolarHBondContact O-N 2.85Å; E1339-R1342 PolarHBondContact O-N 2.96Å; E1339-R1343 WeakPolarHBondContact O-CB 3.33Å; E1339-R1343 PolarHBondContact O-N 3.02Å
1340T74Confident67.3Low76 Ų76100.8 Ų100.847%0.46650%0.503SS..Hα-helixtrans-60.2-45.1171.6-54.60000110.7G1336 E1337 R1343 R1344G1336-T1340 WeakPolarHBondContact O-CB 3.32Å; G1336-T1340 PolarHBondContact O-N 2.75Å; G1336-T1340 PolarHBondContact O-OG1 2.94Å; E1337-T1340 WeakPolarHBondContact O-CB 3.03Å; E1337-T1340 PolarHBondContact O-N 2.03Å; T1340-R1343 PolarHBondContact O-N 2.02Å; T1340-R1344 PolarHBondContact O-N 3.23Å
1341E68.2Low67.8Low93 Ų93101.4 Ų101.444%0.43551%0.508SS..Hα-helixtrans-77.6-29.7-179.3-150.764.2-173.500112.9E1337 E1339 R1343 R1344 T1345E1337-E1341 PolarHBondContact O-N 2.03Å; E1339-E1341 VanDerWaalsContact C-N 3.33Å; E1339-E1341 PolarHBondContact O-N 2.85Å; E1341-R1343 VanDerWaalsContact C-N 3.35Å; E1341-R1344 IonicContact OE1-NH1 3.51Å; E1341-R1344 WeakPolarHBondContact OE2-CD 3.45Å; E1341-R1344 IonicContact OE2-CZ 3.71Å; E1341-R1344 IonicContact OE2-NE 2.82Å; E1341-R1344 IonicContact OE2-NH1 2.73Å; E1341-R1344 PolarHBondContact OE2-NH1 3.09Å; E1341-T1345 WeakPolarHBondContact O-CB 3.49Å; E1341-T1345 PolarHBondContact O-N 3.17Å; E1341-T1345 PolarHBondContact O-OG1 3.23Å
1342R67.5Low68.1Low139 Ų139102.4 Ų102.453%0.52551%0.511SS..Hα-helixtrans-65.5-35.4165.5-81.2175.4-67.6164.14.6112.1S1338 E1339 T1345 K1346S1338-R1342 WeakPolarHBondContact O-CB 3.49Å; S1338-R1342 WeakPolarHBondContact O-CG 3.27Å; S1338-R1342 PolarHBondContact O-N 3.28Å; S1338-R1342 PolarHBondContact O-NE 2.81Å; S1338-R1342 PolarHBondContact OG-NE 3.47Å; E1339-R1342 PolarHBondContact O-N 2.96Å; R1342-T1345 PolarHBondContact O-N 3.12Å; R1342-K1346 WeakPolarHBondContact O-CB 3.43Å; R1342-K1346 PolarHBondContact O-N 2.95Å
1343R75.7Confident68.2Low157 Ų15799.7 Ų99.759%0.59250%0.501SS*.Hα-helixtrans-69.4-42.8175.9-154.9-174.680.9-146.10.1111.2E1339 T1340 E1341 T1345 K1346 E1347E1339-R1343 WeakPolarHBondContact O-CB 3.33Å; E1339-R1343 PolarHBondContact O-N 3.02Å; T1340-R1343 PolarHBondContact O-N 2.02Å; E1341-R1343 VanDerWaalsContact C-N 3.35Å; R1343-T1345 VanDerWaalsContact C-N 3.35Å; R1343-T1345 PolarHBondContact O-N 2.83Å; R1343-K1346 PolarHBondContact O-N 3.12Å; R1343-E1347 IonicContact CZ-OE1 2.8Å; R1343-E1347 IonicContact NE-OE1 2.77Å; R1343-E1347 PolarHBondContact NE-OE1 3.34Å; R1343-E1347 IonicContact NH2-OE1 3.55Å; R1343-E1347 WeakPolarHBondContact O-CB 3.35Å; R1343-E1347 WeakPolarHBondContact O-CG 3.45Å; R1343-E1347 PolarHBondContact O-N 3.42Å
1344R73.9Confident68.5Low151 Ų151100.3 Ų100.357%0.5751%0.506SS*.Hα-helixtrans-56.5-46.1167.3-94.1171.9165.2177-2.9112.5T1340 E1341 K1346 E1347 L1348T1340-R1344 PolarHBondContact O-N 3.23Å; E1341-R1344 IonicContact OE1-NH1 3.51Å; E1341-R1344 WeakPolarHBondContact OE2-CD 3.45Å; E1341-R1344 IonicContact OE2-CZ 3.71Å; E1341-R1344 IonicContact OE2-NE 2.82Å; E1341-R1344 IonicContact OE2-NH1 2.73Å; E1341-R1344 PolarHBondContact OE2-NH1 3.09Å; R1344-K1346 VanDerWaalsContact C-N 3.28Å; R1344-K1346 PolarHBondContact O-N 2.78Å; R1344-E1347 PolarHBondContact O-N 2.81Å; R1344-L1348 WeakPolarHBondContact O-CB 3.22Å; R1344-L1348 PolarHBondContact O-N 2.7Å
1345T62.5Low68.8Low71 Ų71101.8 Ų101.844%0.43651%0.511SS..Hα-helixtrans-62.8-36.4177.5-55.80000111.5E1341 R1342 R1343 L1348 L1349E1341-T1345 WeakPolarHBondContact O-CB 3.49Å; E1341-T1345 PolarHBondContact O-N 3.17Å; E1341-T1345 PolarHBondContact O-OG1 3.23Å; R1342-T1345 PolarHBondContact O-N 3.12Å; R1343-T1345 VanDerWaalsContact C-N 3.35Å; R1343-T1345 PolarHBondContact O-N 2.83Å; T1345-L1348 WeakPolarHBondContact O-CB 3.36Å; T1345-L1348 PolarHBondContact O-N 3.06Å; T1345-L1349 HydrophobicContact CG2-CD1 4.27Å; T1345-L1349 WeakPolarHBondContact O-CB 3.49Å; T1345-L1349 WeakPolarHBondContact O-CG 3.43Å; T1345-L1349 PolarHBondContact O-N 2.8Å
1346K71.6Confident68.8Low128 Ų128102.6 Ų102.656%0.55751%0.512SS*.Hα-helixtrans-69.6-44.4173.9-178.3173.9177.2176.80112.1R1342 R1343 R1344 L1348 L1349 D1350R1342-K1346 WeakPolarHBondContact O-CB 3.43Å; R1342-K1346 PolarHBondContact O-N 2.95Å; R1343-K1346 PolarHBondContact O-N 3.12Å; R1344-K1346 VanDerWaalsContact C-N 3.28Å; R1344-K1346 PolarHBondContact O-N 2.78Å; K1346-L1348 PolarHBondContact O-N 2.84Å; K1346-L1349 PolarHBondContact O-N 2.92Å; K1346-L1349 VanDerWaalsContact O-N 3.14Å; K1346-D1350 WeakPolarHBondContact O-CB 3.12Å; K1346-D1350 PolarHBondContact O-N 2.79Å
1347E76.2Confident68.7Low100 Ų100105 Ų10547%0.46752%0.517SS..Hα-helixtrans-59.5-34.9172.9-71.3164.8-157.300110.7R1343 R1344 A1351R1343-E1347 IonicContact CZ-OE1 2.8Å; R1343-E1347 IonicContact NE-OE1 2.77Å; R1343-E1347 PolarHBondContact NE-OE1 3.34Å; R1343-E1347 IonicContact NH2-OE1 3.55Å; R1343-E1347 WeakPolarHBondContact O-CB 3.35Å; R1343-E1347 WeakPolarHBondContact O-CG 3.45Å; R1343-E1347 PolarHBondContact O-N 3.42Å; R1344-E1347 PolarHBondContact O-N 2.81Å; E1347-A1351 VanDerWaalsContact O-CB 3.22Å; E1347-A1351 WeakPolarHBondContact O-CB 3.04Å; E1347-A1351 PolarHBondContact O-N 3.03Å
1348L66.4Low69Low114 Ų114105.8 Ų105.860%0.59752%0.521SS*.Hα-helixtrans-68.7-40.8172.6-154.584.2000112.9R1344 T1345 K1346 N1352R1344-L1348 WeakPolarHBondContact O-CB 3.22Å; R1344-L1348 PolarHBondContact O-N 2.7Å; T1345-L1348 WeakPolarHBondContact O-CB 3.36Å; T1345-L1348 PolarHBondContact O-N 3.06Å; K1346-L1348 PolarHBondContact O-N 2.84Å; L1348-N1352 WeakPolarHBondContact O-CB 3.36Å; L1348-N1352 PolarHBondContact O-N 2.98Å; L1348-N1352 PolarHBondContact O-ND2 2.73Å
1349L62.9Low69.6Low86 Ų86108.6 Ų108.645%0.4553%0.528SS..Hα-helixtrans-69.5-39.9175.8-81161.2000112.5T1345 K1346 N1352 L1353 F1356T1345-L1349 HydrophobicContact CG2-CD1 4.27Å; T1345-L1349 WeakPolarHBondContact O-CB 3.49Å; T1345-L1349 WeakPolarHBondContact O-CG 3.43Å; T1345-L1349 PolarHBondContact O-N 2.8Å; K1346-L1349 PolarHBondContact O-N 2.92Å; K1346-L1349 VanDerWaalsContact O-N 3.14Å; L1349-N1352 CarbonylContact O-C 3.56Å; L1349-N1352 PolarHBondContact O-N 2.77Å; L1349-L1353 WeakPolarHBondContact O-CA 2.83Å; L1349-L1353 PolarHBondContact O-N 2.69Å; L1349-F1356 HydrophobicContact CD2-CD2 4.24Å; L1349-F1356 HydrophobicContact CD2-CE2 4.47Å
1350D70.6Confident69.7Low93 Ų93107.4 Ų107.450%0.49752%0.521SS..Hα-helixtrans-70.4-33.4175.6-75.6-29.2000111K1346 L1353K1346-D1350 WeakPolarHBondContact O-CB 3.12Å; K1346-D1350 PolarHBondContact O-N 2.79Å; D1350-L1353 VanDerWaalsContact O-CB 3.3Å; D1350-L1353 WeakPolarHBondContact O-CB 3.29Å
1351A70.8Confident69.8Low78 Ų78111.2 Ų111.265%0.64553%0.531SS*.Hα-helixtrans-67.7-37.6170.800000112.6E1347 L1353E1347-A1351 VanDerWaalsContact O-CB 3.22Å; E1347-A1351 WeakPolarHBondContact O-CB 3.04Å; E1347-A1351 PolarHBondContact O-N 3.03Å; A1351-L1353 VanDerWaalsContact C-N 3.32Å
1352N64.3Low70.2Confident81 Ų81112.7 Ų112.743%0.43354%0.538SS..THydrogen-bonded Turntrans-92.518.2178.3-64.7-16.2000113.1L1348 L1349 Q1354 D1355 F1356L1348-N1352 WeakPolarHBondContact O-CB 3.36Å; L1348-N1352 PolarHBondContact O-N 2.98Å; L1348-N1352 PolarHBondContact O-ND2 2.73Å; L1349-N1352 CarbonylContact O-C 3.56Å; L1349-N1352 PolarHBondContact O-N 2.77Å; N1352-Q1354 PolarHBondContact O-N 2.04Å; N1352-Q1354 VanDerWaalsContact O-N 3.15Å; N1352-D1355 PolarHBondContact O-N 3.38Å; N1352-F1356 WeakPolarHBondContact O-CB 3.45Å; N1352-F1356 PolarHBondContact O-N 2.7Å
1353L68.9Low70.1Confident84 Ų84110.5 Ų110.544%0.4454%0.536SS..Hα-helixtrans-61.4-27.7-172.3-166.877.4000113.2L1349 D1350 A1351 N1357L1349-L1353 WeakPolarHBondContact O-CA 2.83Å; L1349-L1353 PolarHBondContact O-N 2.69Å; D1350-L1353 VanDerWaalsContact O-CB 3.3Å; D1350-L1353 WeakPolarHBondContact O-CB 3.29Å; A1351-L1353 VanDerWaalsContact C-N 3.32Å; L1353-N1357 WeakPolarHBondContact O-CB 2.97Å; L1353-N1357 PolarHBondContact O-N 3.32Å; L1353-N1357 PolarHBondContact O-ND2 3Å
1354Q73.3Confident70.1Confident168 Ų168106.9 Ų106.979%0.78553%0.526SS*.Hα-helixtrans-71.5-52.3174.4-76.3-170.3-68.600111.8N1352 F1356 N1357 E1358N1352-Q1354 PolarHBondContact O-N 2.04Å; N1352-Q1354 VanDerWaalsContact O-N 3.15Å; Q1354-F1356 VanDerWaalsContact C-N 3.28Å; Q1354-F1356 PolarHBondContact O-N 2.72Å; Q1354-N1357 PolarHBondContact O-N 2.67Å; Q1354-N1357 VanDerWaalsContact O-N 3.09Å; Q1354-E1358 PolarHBondContact O-N 2.75Å
1355D66.3Low70.2Confident108 Ų108101.6 Ų101.658%0.57852%0.515SS*.Hα-helixtrans-57.9-42.9176.1-69.7-0.5000110.8N1352 N1357 E1358 Q1359N1352-D1355 PolarHBondContact O-N 3.38Å; D1355-N1357 PolarHBondContact O-N 2.84Å; D1355-E1358 PolarHBondContact O-N 2.63Å; D1355-Q1359 VanDerWaalsContact O-CB 3.26Å; D1355-Q1359 WeakPolarHBondContact O-CB 3.29Å; D1355-Q1359 PolarHBondContact O-N 2.75Å
1356F66.2Low70.7Confident103 Ų10399.9 Ų99.945%0.45251%0.508SS..Hα-helixtrans-62.1-40.6175.6-172.4-92000112.5L1349 N1352 Q1354 F1360L1349-F1356 HydrophobicContact CD2-CD2 4.24Å; L1349-F1356 HydrophobicContact CD2-CE2 4.47Å; N1352-F1356 WeakPolarHBondContact O-CB 3.45Å; N1352-F1356 PolarHBondContact O-N 2.7Å; Q1354-F1356 VanDerWaalsContact C-N 3.28Å; Q1354-F1356 PolarHBondContact O-N 2.72Å; F1356-F1360 WeakPolarHBondContact O-CB 3.43Å; F1356-F1360 PolarHBondContact O-N 2.04Å
1357N70.7Confident70.7Confident81 Ų8198.3 Ų98.343%0.43351%0.505SS..Hα-helixtrans-68.6-34.5175.7-90.3-68.2000112.9L1353 Q1354 D1355 K1361L1353-N1357 WeakPolarHBondContact O-CB 2.97Å; L1353-N1357 PolarHBondContact O-N 3.32Å; L1353-N1357 PolarHBondContact O-ND2 3Å; Q1354-N1357 PolarHBondContact O-N 2.67Å; Q1354-N1357 VanDerWaalsContact O-N 3.09Å; D1355-N1357 PolarHBondContact O-N 2.84Å; N1357-K1361 WeakPolarHBondContact O-CG 3.41Å; N1357-K1361 PolarHBondContact O-N 3.33Å
1358E74.8Confident70.7Confident126 Ų12697.6 Ų97.659%0.58950%0.504SS*.Hα-helixtrans-73.3-41.9178.2-164.8144.1-128.600110.8Q1354 D1355 K1361 Q1362Q1354-E1358 PolarHBondContact O-N 2.75Å; D1355-E1358 PolarHBondContact O-N 2.63Å; E1358-K1361 PolarHBondContact O-N 3.1Å; E1358-Q1362 WeakPolarHBondContact O-CG 2.93Å; E1358-Q1362 PolarHBondContact O-N 3.38Å
1359Q66.6Low71.2Confident117 Ų11799.4 Ų99.455%0.54750%0.503SS..Hα-helixtrans-66-36.5171.4-156167.534.800111.8D1355 Q1362 N1363D1355-Q1359 VanDerWaalsContact O-CB 3.26Å; D1355-Q1359 WeakPolarHBondContact O-CB 3.29Å; D1355-Q1359 PolarHBondContact O-N 2.75Å; Q1359-Q1362 PolarHBondContact O-N 2.93Å; Q1359-N1363 WeakPolarHBondContact O-CB 3.04Å; Q1359-N1363 PolarHBondContact O-N 3.14Å; Q1359-N1363 PolarHBondContact O-ND2 2.75Å
1360F73.6Confident71.6Confident102 Ų102100.2 Ų100.245%0.44751%0.508SS..Hα-helixtrans-62.8-43.3171.8-179.2-92.9000111.8F1356 Q1362 N1363 Q1364F1356-F1360 WeakPolarHBondContact O-CB 3.43Å; F1356-F1360 PolarHBondContact O-N 2.04Å; F1360-Q1362 PolarHBondContact O-N 2.8Å; F1360-N1363 CarbonylContact O-C 3.53Å; F1360-N1363 PolarHBondContact O-N 3.5Å; F1360-Q1364 WeakPolarHBondContact O-CB 3.18Å; F1360-Q1364 PolarHBondContact O-N 3.42Å
1361K76Confident71.8Confident155 Ų155101.4 Ų101.467%0.67451%0.51SS*.Hα-helixtrans-63.1-39.4173.3-79.6177.8179.11730112.7N1357 E1358 N1363 Q1364 A1365N1357-K1361 WeakPolarHBondContact O-CG 3.41Å; N1357-K1361 PolarHBondContact O-N 3.33Å; E1358-K1361 PolarHBondContact O-N 3.1Å; K1361-N1363 VanDerWaalsContact C-N 3.35Å; K1361-Q1364 PolarHBondContact O-N 3.18Å; K1361-A1365 WeakPolarHBondContact O-CB 3.07Å; K1361-A1365 PolarHBondContact O-N 2.81Å
1362Q75.8Confident72.1Confident125 Ų125103.8 Ų103.858%0.58451%0.508SS*.Hα-helixtrans-65-40.3175.1-69.4176.524.700111.4E1358 Q1359 F1360 A1365 A1366E1358-Q1362 WeakPolarHBondContact O-CG 2.93Å; E1358-Q1362 PolarHBondContact O-N 3.38Å; Q1359-Q1362 PolarHBondContact O-N 2.93Å; F1360-Q1362 PolarHBondContact O-N 2.8Å; Q1362-A1365 PolarHBondContact O-N 3.37Å; Q1362-A1366 WeakPolarHBondContact O-CB 3.42Å; Q1362-A1366 PolarHBondContact O-N 3.06Å
1363N66.4Low72.5Confident92 Ų92108.2 Ų108.249%0.49252%0.519SS..Hα-helixtrans-68.2-37.7174.6-70.6-16.4000112.4Q1359 F1360 K1361 A1366 L1367Q1359-N1363 WeakPolarHBondContact O-CB 3.04Å; Q1359-N1363 PolarHBondContact O-N 3.14Å; Q1359-N1363 PolarHBondContact O-ND2 2.75Å; F1360-N1363 CarbonylContact O-C 3.53Å; F1360-N1363 PolarHBondContact O-N 3.5Å; K1361-N1363 VanDerWaalsContact C-N 3.35Å; N1363-A1366 CarbonylContact O-C 3.58Å; N1363-A1366 WeakPolarHBondContact O-CA 3.43Å; N1363-A1366 WeakPolarHBondContact O-CB 3.33Å; N1363-A1366 PolarHBondContact O-N 2.84Å; N1363-A1366 VanDerWaalsContact O-N 3.14Å; N1363-L1367 PolarHBondContact O-N 3.1Å
1364Q74Confident72.4Confident81 Ų81106.7 Ų106.738%0.37952%0.518SS..Hα-helixtrans-63.1-46173.6-165.275.441.100110.6F1360 K1361 A1366 L1367 D1368F1360-Q1364 WeakPolarHBondContact O-CB 3.18Å; F1360-Q1364 PolarHBondContact O-N 3.42Å; K1361-Q1364 PolarHBondContact O-N 3.18Å; Q1364-A1366 PolarHBondContact O-N 3.3Å; Q1364-L1367 WeakPolarHBondContact O-CA 3.29Å; Q1364-L1367 WeakPolarHBondContact O-CB 3.23Å; Q1364-L1367 PolarHBondContact O-N 2.94Å; Q1364-L1367 VanDerWaalsContact O-N 3.08Å; Q1364-D1368 PolarHBondContact O-N 3.18Å
1365A77.5Confident72.5Confident40 Ų40104.6 Ų104.633%0.33151%0.508SS..Hα-helixtrans-68-20.8173.900000113K1361 Q1362 R1369K1361-A1365 WeakPolarHBondContact O-CB 3.07Å; K1361-A1365 PolarHBondContact O-N 2.81Å; Q1362-A1365 PolarHBondContact O-N 3.37Å; A1365-R1369 PolarHBondContact O-NE 3.34Å; A1365-R1369 PolarHBondContact O-NH2 2.83Å
1366A72.5Confident72.8Confident35 Ų35105.4 Ų105.429%0.28951%0.509SS..Hα-helixtrans-76.9-39168.300000111.4Q1362 N1363 Q1364 R1369 L1370Q1362-A1366 WeakPolarHBondContact O-CB 3.42Å; Q1362-A1366 PolarHBondContact O-N 3.06Å; N1363-A1366 CarbonylContact O-C 3.58Å; N1363-A1366 WeakPolarHBondContact O-CA 3.43Å; N1363-A1366 WeakPolarHBondContact O-CB 3.33Å; N1363-A1366 PolarHBondContact O-N 2.84Å; N1363-A1366 VanDerWaalsContact O-N 3.14Å; Q1364-A1366 PolarHBondContact O-N 3.3Å; A1366-R1369 PolarHBondContact O-N 3.28Å; A1366-L1370 VanDerWaalsContact O-CG 3.31Å; A1366-L1370 WeakPolarHBondContact O-CG 3.35Å; A1366-L1370 PolarHBondContact O-N 2.61Å
1367L71.8Confident72.8Confident95 Ų95105.1 Ų105.150%0.49751%0.511SS..Hα-helixtrans-61.4-47.9173.2-84.5159.7000112.1N1363 Q1364 R1369 L1370 E1371N1363-L1367 PolarHBondContact O-N 3.1Å; Q1364-L1367 WeakPolarHBondContact O-CA 3.29Å; Q1364-L1367 WeakPolarHBondContact O-CB 3.23Å; Q1364-L1367 PolarHBondContact O-N 2.94Å; Q1364-L1367 VanDerWaalsContact O-N 3.08Å; L1367-R1369 PolarHBondContact O-N 2.75Å; L1367-L1370 CarbonylContact O-C 3.51Å; L1367-L1370 WeakPolarHBondContact O-CA 3.47Å; L1367-L1370 WeakPolarHBondContact O-CB 3.07Å; L1367-L1370 PolarHBondContact O-N 3.31Å; L1367-E1371 PolarHBondContact O-N 3.04Å
1368D75.8Confident72.7Confident85 Ų85106.5 Ų106.546%0.45552%0.519SS..Hα-helixtrans-59.6-35.9177.2-60.8-11.3000111.7Q1364 E1371 Q1372Q1364-D1368 PolarHBondContact O-N 3.18Å; D1368-E1371 PolarHBondContact O-N 3.36Å; D1368-Q1372 PolarHBondContact O-N 2.05Å
1369R77.7Confident72.6Confident152 Ų152104.3 Ų104.357%0.57452%0.522SS*.Hα-helixtrans-74.2-28.7173.9-78.6177.9-70.1-166.3-0.2113.1A1365 A1366 L1367 R1373A1365-R1369 PolarHBondContact O-NE 3.34Å; A1365-R1369 PolarHBondContact O-NH2 2.83Å; A1366-R1369 PolarHBondContact O-N 3.28Å; L1367-R1369 PolarHBondContact O-N 2.75Å; R1369-R1373 WeakPolarHBondContact O-CB 3.11Å; R1369-R1373 WeakPolarHBondContact O-CG 3.39Å; R1369-R1373 PolarHBondContact O-N 3.5Å; R1369-R1373 VanDerWaalsContact O-N 3.13Å
1370L70.6Confident73Confident103 Ų103103.7 Ų103.754%0.53952%0.519SS..Hα-helixtrans-73.6-34.8171-75164.1000111.1A1366 L1367 R1373 A1374A1366-L1370 VanDerWaalsContact O-CG 3.31Å; A1366-L1370 WeakPolarHBondContact O-CG 3.35Å; A1366-L1370 PolarHBondContact O-N 2.61Å; L1367-L1370 CarbonylContact O-C 3.51Å; L1367-L1370 WeakPolarHBondContact O-CA 3.47Å; L1367-L1370 WeakPolarHBondContact O-CB 3.07Å; L1367-L1370 PolarHBondContact O-N 3.31Å; L1370-R1373 CarbonylContact O-C 3.54Å; L1370-R1373 PolarHBondContact O-N 3.17Å; L1370-A1374 WeakPolarHBondContact O-CB 3.48Å; L1370-A1374 PolarHBondContact O-N 2.79Å
1371E75.4Confident73Confident118 Ų118100.7 Ų100.755%0.55151%0.508SS*.Hα-helixtrans-69.3-42.6175.4-169.4176.3-179.200111.5L1367 D1368 R1373 A1374 Q1375L1367-E1371 PolarHBondContact O-N 3.04Å; D1368-E1371 PolarHBondContact O-N 3.36Å; E1371-R1373 VanDerWaalsContact C-N 3.35Å; E1371-R1373 PolarHBondContact O-N 2.88Å; E1371-A1374 WeakPolarHBondContact O-CB 3.27Å; E1371-A1374 PolarHBondContact O-N 2.75Å; E1371-Q1375 WeakPolarHBondContact O-CG 3.42Å; E1371-Q1375 PolarHBondContact O-N 2.96Å
1372Q76.3Confident73Confident129 Ų12994.3 Ų94.360%0.60348%0.482SS*.Hα-helixtrans-59.5-44.5169.2-78.9-168.3-3500112.1D1368 A1374 Q1375 E1376D1368-Q1372 PolarHBondContact O-N 2.05Å; Q1372-A1374 VanDerWaalsContact C-N 3.28Å; Q1372-A1374 PolarHBondContact O-N 2.83Å; Q1372-Q1375 PolarHBondContact O-N 2.78Å; Q1372-E1376 PolarHBondContact O-N 2.04Å
1373R72.3Confident73.1Confident174 Ų17491.6 Ų91.666%0.65747%0.472SS*.Hα-helixtrans-64.2-32.1174.6-80.3175.9165.6-175.4-5112.9R1369 L1370 E1371 E1376 L1377R1369-R1373 WeakPolarHBondContact O-CB 3.11Å; R1369-R1373 WeakPolarHBondContact O-CG 3.39Å; R1369-R1373 PolarHBondContact O-N 3.5Å; R1369-R1373 VanDerWaalsContact O-N 3.13Å; L1370-R1373 CarbonylContact O-C 3.54Å; L1370-R1373 PolarHBondContact O-N 3.17Å; E1371-R1373 VanDerWaalsContact C-N 3.35Å; E1371-R1373 PolarHBondContact O-N 2.88Å; R1373-E1376 PolarHBondContact O-N 3.38Å; R1373-L1377 VanDerWaalsContact O-CB 3.27Å; R1373-L1377 WeakPolarHBondContact O-CB 3.27Å; R1373-L1377 PolarHBondContact O-N 2.75Å
1374A67.4Low73.4Confident52 Ų5290.5 Ų90.543%0.4347%0.465SS..Hα-helixtrans-68.6-40.3174.500000111.2L1370 E1371 Q1372 L1377 D1378L1370-A1374 WeakPolarHBondContact O-CB 3.48Å; L1370-A1374 PolarHBondContact O-N 2.79Å; E1371-A1374 WeakPolarHBondContact O-CB 3.27Å; E1371-A1374 PolarHBondContact O-N 2.75Å; Q1372-A1374 VanDerWaalsContact C-N 3.28Å; Q1372-A1374 PolarHBondContact O-N 2.83Å; A1374-L1377 WeakPolarHBondContact O-CB 3.38Å; A1374-L1377 PolarHBondContact O-N 3.07Å; A1374-D1378 PolarHBondContact O-N 2.66Å
1375Q75.8Confident73.5Confident123 Ų12386.8 Ų86.858%0.57545%0.448SS*.Hα-helixtrans-66.1-38.7173-68.7176.6900112.5E1371 Q1372 L1377 A1379E1371-Q1375 WeakPolarHBondContact O-CG 3.42Å; E1371-Q1375 PolarHBondContact O-N 2.96Å; Q1372-Q1375 PolarHBondContact O-N 2.78Å; Q1375-L1377 VanDerWaalsContact C-N 3.28Å; Q1375-L1377 PolarHBondContact O-N 3.15Å; Q1375-A1379 PolarHBondContact O-N 3.47Å
1376E72.9Confident73.7Confident125 Ų12587.8 Ų87.858%0.58445%0.447SS*.Hα-helixtrans-64.5-32.3171.2-72.8-178.7159.900112.2Q1372 R1373 Q1380Q1372-E1376 PolarHBondContact O-N 2.04Å; R1373-E1376 PolarHBondContact O-N 3.38Å; E1376-Q1380 WeakPolarHBondContact O-CG 3.46Å; E1376-Q1380 PolarHBondContact O-NE2 3.43Å
1377L65Low73.9Confident97 Ų9792.8 Ų92.851%0.50846%0.463SS..Hα-helixtrans-75.7-40.7177.1-164.672.8000111.9R1373 A1374 Q1375 A1379 Q1380 I1381R1373-L1377 VanDerWaalsContact O-CB 3.27Å; R1373-L1377 WeakPolarHBondContact O-CB 3.27Å; R1373-L1377 PolarHBondContact O-N 2.75Å; A1374-L1377 WeakPolarHBondContact O-CB 3.38Å; A1374-L1377 PolarHBondContact O-N 3.07Å; Q1375-L1377 VanDerWaalsContact C-N 3.28Å; Q1375-L1377 PolarHBondContact O-N 3.15Å; L1377-A1379 VanDerWaalsContact C-N 3.31Å; L1377-A1379 PolarHBondContact O-N 2.72Å; L1377-Q1380 CarbonylContact O-C 3.4Å; L1377-Q1380 WeakPolarHBondContact O-CA 3.5Å; L1377-Q1380 WeakPolarHBondContact O-CB 3.36Å; L1377-Q1380 PolarHBondContact O-N 3Å; L1377-I1381 PolarHBondContact O-N 3.06Å; L1377-I1381 VanDerWaalsContact O-N 3.12Å
1378D68.4Low74Confident110 Ų11090.7 Ų90.759%0.58845%0.454SS*.Hα-helixtrans-55.4-46.1173.5-112.616.3000110.8A1374 Q1380 I1381A1374-D1378 PolarHBondContact O-N 2.66Å; D1378-Q1380 PolarHBondContact O-N 3.37Å; D1378-I1381 WeakPolarHBondContact O-CB 3.44Å; D1378-I1381 PolarHBondContact O-N 2.68Å; D1378-I1381 VanDerWaalsContact O-N 3.13Å; D1378-I1381 VanDerWaalsContact OD1-CD1 3.31Å; D1378-I1381 WeakPolarHBondContact OD1-CD1 3.37Å
1379A73.8Confident74.1Confident80 Ų8086.7 Ų86.766%0.66143%0.432SS*.THydrogen-bonded Turntrans-64.9-17.5175.700000113.9Q1375 L1377Q1375-A1379 PolarHBondContact O-N 3.47Å; L1377-A1379 VanDerWaalsContact C-N 3.31Å; L1377-A1379 PolarHBondContact O-N 2.72Å
1380Q74.5Confident74.1Confident105 Ų10580.3 Ų80.349%0.49141%0.414SS..THydrogen-bonded Turntrans-95.9-10.1176.6-73.2170.775.400113.2E1376 L1377 D1378 P1382 D1383 L1384E1376-Q1380 WeakPolarHBondContact O-CG 3.46Å; E1376-Q1380 PolarHBondContact O-NE2 3.43Å; L1377-Q1380 CarbonylContact O-C 3.4Å; L1377-Q1380 WeakPolarHBondContact O-CA 3.5Å; L1377-Q1380 WeakPolarHBondContact O-CB 3.36Å; L1377-Q1380 PolarHBondContact O-N 3Å; D1378-Q1380 PolarHBondContact O-N 3.37Å; Q1380-P1382 VanDerWaalsContact C-N 3.32Å; Q1380-D1383 PolarHBondContact O-N 3.44Å; Q1380-D1383 VanDerWaalsContact O-N 3.09Å; Q1380-L1384 WeakPolarHBondContact O-CB 3.35Å; Q1380-L1384 PolarHBondContact O-N 3.18Å
1381I72.9Confident74.3Confident39 Ų3976 Ų7620%0.239%0.393CS..Hα-helixtrans-49.1-41.7-179.8-73.1175.4000113.7L1377 D1378 D1383 L1384 N1385 A1403L1377-I1381 PolarHBondContact O-N 3.06Å; L1377-I1381 VanDerWaalsContact O-N 3.12Å; D1378-I1381 WeakPolarHBondContact O-CB 3.44Å; D1378-I1381 PolarHBondContact O-N 2.68Å; D1378-I1381 VanDerWaalsContact O-N 3.13Å; D1378-I1381 VanDerWaalsContact OD1-CD1 3.31Å; D1378-I1381 WeakPolarHBondContact OD1-CD1 3.37Å; I1381-D1383 PolarHBondContact O-N 2.61Å; I1381-L1384 CarbonylContact O-C 3.44Å; I1381-L1384 WeakPolarHBondContact O-CB 3.49Å; I1381-L1384 PolarHBondContact O-N 2.72Å; I1381-N1385 WeakPolarHBondContact CG2-ND2 3.1Å; I1381-N1385 WeakPolarHBondContact O-CB 3.08Å; I1381-N1385 PolarHBondContact O-N 3.25Å; I1381-N1385 PolarHBondContact O-OD1 2.75Å; I1381-A1403 HydrophobicContact CG2-CB 4.41Å
1382P76.4Confident74.4Confident21 Ų2176.3 Ų76.314%0.13639%0.393CS..Hα-helixtrans-66.7-35.7-178.6-22.234.4000113.5Q1380 L1386 D1394Q1380-P1382 VanDerWaalsContact C-N 3.32Å; P1382-L1386 PolarHBondContact O-N 2.74Å; P1382-D1394 WeakPolarHBondContact CB-OD1 3.38Å; P1382-D1394 HydrophobicContact CG-CB 4.32Å; P1382-D1394 WeakPolarHBondContact CG-OD1 3.38Å
1383D77.2Confident74.2Confident68 Ų6871.5 Ų71.536%0.36437%0.372SS..Hα-helixtrans-75.9-34.1172.7-76.6-44.3000111.1Q1380 I1381 L1386 F1387 K1392Q1380-D1383 PolarHBondContact O-N 3.44Å; Q1380-D1383 VanDerWaalsContact O-N 3.09Å; I1381-D1383 PolarHBondContact O-N 2.61Å; D1383-L1386 WeakPolarHBondContact O-CB 3.47Å; D1383-L1386 PolarHBondContact O-N 2.75Å; D1383-F1387 WeakPolarHBondContact O-CD2 3.07Å; D1383-F1387 PolarHBondContact O-N 2.8Å; D1383-K1392 WeakPolarHBondContact OD1-CE 3.44Å; D1383-K1392 IonicContact OD1-NZ 2.82Å; D1383-K1392 PolarHBondContact OD1-NZ 2.7Å; D1383-K1392 IonicContact OD2-NZ 2.7Å
1384L73.6Confident74Confident69 Ų6969.8 Ų69.836%0.36138%0.376SS..Hα-helixtrans-62.3-43.2172.4-149.181.3000111.3Q1380 I1381 L1386 F1387 V1388Q1380-L1384 WeakPolarHBondContact O-CB 3.35Å; Q1380-L1384 PolarHBondContact O-N 3.18Å; I1381-L1384 CarbonylContact O-C 3.44Å; I1381-L1384 WeakPolarHBondContact O-CB 3.49Å; I1381-L1384 PolarHBondContact O-N 2.72Å; L1384-L1386 VanDerWaalsContact C-N 3.3Å; L1384-L1386 PolarHBondContact O-N 2.7Å; L1384-F1387 PolarHBondContact O-N 3.39Å; L1384-V1388 HydrophobicContact CG-CG2 4.12Å; L1384-V1388 WeakPolarHBondContact O-CA 3.23Å; L1384-V1388 WeakPolarHBondContact O-CB 3.36Å; L1384-V1388 VanDerWaalsContact O-CG2 3.26Å; L1384-V1388 WeakPolarHBondContact O-CG2 3.48Å; L1384-V1388 PolarHBondContact O-N 2.71Å
1385N76.7Confident73.9Confident2 Ų271.4 Ų71.41%0.01138%0.384CS..Hα-helixtrans-63.4-37.1176.8-71.8-11.5000111.3I1381 C1389 G1390 A1391 T1393 A1403I1381-N1385 WeakPolarHBondContact CG2-ND2 3.1Å; I1381-N1385 WeakPolarHBondContact O-CB 3.08Å; I1381-N1385 PolarHBondContact O-N 3.25Å; I1381-N1385 PolarHBondContact O-OD1 2.75Å; N1385-C1389 CarbonylContact O-C 3.54Å; N1385-C1389 WeakPolarHBondContact O-CA 3.37Å; N1385-C1389 WeakPolarHBondContact O-CB 3.29Å; N1385-C1389 PolarHBondContact O-N 2.69Å; N1385-G1390 PolarHBondContact O-N 3.08Å; N1385-A1391 CarbonylContact C-O 3.56Å; N1385-A1391 WeakPolarHBondContact CB-O 3.05Å; N1385-A1391 PolarHBondContact O-N 3.47Å; N1385-T1393 PolarHBondContact ND2-O 2.87Å; N1385-A1403 WeakPolarHBondContact OD1-CB 3.47Å; N1385-A1403 PolarHBondContact OD1-N 2.71Å
1386L80.3Confident73.5Confident61 Ų6168.7 Ų68.732%0.31938%0.378SS..Hα-helixtrans-63.8-49.3172.4178.661.2000111.5P1382 D1383 L1384 G1390 A1391 K1392P1382-L1386 PolarHBondContact O-N 2.74Å; D1383-L1386 WeakPolarHBondContact O-CB 3.47Å; D1383-L1386 PolarHBondContact O-N 2.75Å; L1384-L1386 VanDerWaalsContact C-N 3.3Å; L1384-L1386 PolarHBondContact O-N 2.7Å; L1386-G1390 WeakPolarHBondContact O-CA 3.39Å; L1386-G1390 PolarHBondContact O-N 2.77Å; L1386-A1391 WeakPolarHBondContact CA-O 3.38Å; L1386-A1391 PolarHBondContact N-O 2.71Å; L1386-K1392 HydrophobicContact CB-CB 4.03Å; L1386-K1392 HydrophobicContact CD1-CB 4.32Å; L1386-K1392 HydrophobicContact CD2-CB 4.36Å; L1386-K1392 HydrophobicContact CD2-CD 4.27Å; L1386-K1392 HydrophobicContact CG-CB 4.47Å
1387F77.9Confident73.6Confident140 Ų14065 Ų6561%0.61436%0.363SS*.Hα-helixtrans-72.4-31.8-178.3-72.8-59.3000113.7D1383 L1384 S1417D1383-F1387 WeakPolarHBondContact O-CD2 3.07Å; D1383-F1387 PolarHBondContact O-N 2.8Å; L1384-F1387 PolarHBondContact O-N 3.39Å; F1387-S1417 VanDerWaalsContact O-CB 3.29Å; F1387-S1417 WeakPolarHBondContact O-CB 3.38Å; F1387-S1417 PolarHBondContact O-N 3.45Å; F1387-S1417 PolarHBondContact O-OG 2.68Å
1388V73.1Confident74Confident51 Ų5168.6 Ų68.631%0.30938%0.382SS..Hα-helixtrans-101-46.4-171.6-177.60000111.9L1384 G1416 S1417 V1418L1384-V1388 HydrophobicContact CG-CG2 4.12Å; L1384-V1388 WeakPolarHBondContact O-CA 3.23Å; L1384-V1388 WeakPolarHBondContact O-CB 3.36Å; L1384-V1388 VanDerWaalsContact O-CG2 3.26Å; L1384-V1388 WeakPolarHBondContact O-CG2 3.48Å; L1384-V1388 PolarHBondContact O-N 2.71Å; V1388-G1416 CarbonylContact O-C 2.94Å; V1388-G1416 VanDerWaalsContact O-C 3.3Å; V1388-G1416 WeakPolarHBondContact O-CA 3.1Å; V1388-S1417 PolarHBondContact O-N 2.81Å; V1388-V1418 HydrophobicContact CG1-CG2 3.86Å; V1388-V1418 PolarHBondContact O-N 3.42Å
1389C78.5Confident74.2Confident1 Ų169 Ų691%0.00738%0.384CS..THydrogen-bonded Turntrans-101.9-24.5-174.8-50.20000113.4N1385 C1400 G1402 C1408 G1409 C1413N1385-C1389 CarbonylContact O-C 3.54Å; N1385-C1389 WeakPolarHBondContact O-CA 3.37Å; N1385-C1389 WeakPolarHBondContact O-CB 3.29Å; N1385-C1389 PolarHBondContact O-N 2.69Å; C1389-C1400 WeakPolarHBondContact CB-O 3.11Å; C1389-G1402 WeakPolarHBondContact SG-CA 3.42Å; C1389-C1408 WeakPolarHBondContact CA-SG 3.14Å; C1389-C1408 HydrophobicContact CB-CB 4.02Å; C1389-C1408 WeakPolarHBondContact CB-SG 3.42Å; C1389-C1408 WeakPolarHBondContact SG-CB 2.94Å; C1389-C1408 CovalentContact SG-SG 2.04Å; C1389-C1408 PolarHBondContact SG-SG 2.86Å; C1389-G1409 WeakPolarHBondContact O-CA 3.11Å; C1389-C1413 WeakPolarHBondContact O-CB 3.22Å
1390G77.3Confident74.2Confident18 Ų1865.9 Ų65.919%0.18636%0.357CS..SBendtrans102.15.5173.800000115.8N1385 L1386N1385-G1390 PolarHBondContact O-N 3.08Å; L1386-G1390 WeakPolarHBondContact O-CA 3.39Å; L1386-G1390 PolarHBondContact O-N 2.77Å
1391A74.6Confident74.2Confident13 Ų1361.1 Ų61.111%0.10734%0.336CS..SBendtrans-133.2140.7174.300000110.5N1385 L1386 T1393 D1397 C1400N1385-A1391 CarbonylContact C-O 3.56Å; N1385-A1391 WeakPolarHBondContact CB-O 3.05Å; N1385-A1391 PolarHBondContact O-N 3.47Å; L1386-A1391 WeakPolarHBondContact CA-O 3.38Å; L1386-A1391 PolarHBondContact N-O 2.71Å; A1391-T1393 HydrophobicContact CB-CG2 4.45Å; A1391-T1393 PolarHBondContact O-N 3.3Å; A1391-D1397 HydrophobicContact CB-CB 3.81Å; A1391-C1400 HydrophobicContact CB-CB 3.65Å
1392K78.3Confident74.3Confident124 Ų12459.4 Ų59.454%0.53933%0.328SS..  trans-91.191.3-179.9-177.4160.7-177.81580110.3D1383 L1386D1383-K1392 WeakPolarHBondContact OD1-CE 3.44Å; D1383-K1392 IonicContact OD1-NZ 2.82Å; D1383-K1392 PolarHBondContact OD1-NZ 2.7Å; D1383-K1392 IonicContact OD2-NZ 2.7Å; L1386-K1392 HydrophobicContact CB-CB 4.03Å; L1386-K1392 HydrophobicContact CD1-CB 4.32Å; L1386-K1392 HydrophobicContact CD2-CB 4.36Å; L1386-K1392 HydrophobicContact CD2-CD 4.27Å; L1386-K1392 HydrophobicContact CG-CB 4.47Å
1393T71.5Confident73.7Confident28 Ų2860.8 Ų60.817%0.17234%0.341CS..  trans-140.1142.3-176.156.80000112.1N1385 A1391 S1395 D1397N1385-T1393 PolarHBondContact ND2-O 2.87Å; A1391-T1393 HydrophobicContact CB-CG2 4.45Å; A1391-T1393 PolarHBondContact O-N 3.3Å; T1393-S1395 VanDerWaalsContact C-N 3.28Å; T1393-S1395 WeakPolarHBondContact CB-O 3.2Å; T1393-S1395 PolarHBondContact OG1-O 2.85Å; T1393-D1397 HydrophobicContact CG2-CB 3.94Å
1394D68Low73.2Confident139 Ų13961.7 Ų61.774%0.74337%0.366SS*.SBendtrans-79.8-15174-5512.3000111.7P1382P1382-D1394 WeakPolarHBondContact CB-OD1 3.38Å; P1382-D1394 HydrophobicContact CG-CB 4.32Å; P1382-D1394 WeakPolarHBondContact CG-OD1 3.38Å
1395S65Low73.3Confident85 Ų8559.7 Ų59.759%0.59436%0.358SS*.SBendtrans-124.3177.1177.363.10000110.5T1393 D1397T1393-S1395 VanDerWaalsContact C-N 3.28Å; T1393-S1395 WeakPolarHBondContact CB-O 3.2Å; T1393-S1395 PolarHBondContact OG1-O 2.85Å; S1395-D1397 PolarHBondContact O-N 2.99Å
1396C68Low73Confident67 Ų6767.9 Ų67.945%0.45340%0.402SS..  trans-59124.9172.4-55.10000111.6C1405C1396-C1405 WeakPolarHBondContact CA-SG 3.39Å; C1396-C1405 HydrophobicContact CB-CB 3.87Å; C1396-C1405 WeakPolarHBondContact CB-SG 3.01Å; C1396-C1405 WeakPolarHBondContact SG-CB 3.38Å; C1396-C1405 CovalentContact SG-SG 2.03Å; C1396-C1405 PolarHBondContact SG-SG 3.44Å
1397D74.5Confident72.6Confident48 Ų4872.9 Ų72.926%0.25742%0.421SS..BIsolated β-bridgetrans-77.3134.6167.8-176.991.5000110A1391 T1393 S1395 L1399 C1400 G1401A1391-D1397 HydrophobicContact CB-CB 3.81Å; T1393-D1397 HydrophobicContact CG2-CB 3.94Å; S1395-D1397 PolarHBondContact O-N 2.99Å; D1397-L1399 PolarHBondContact O-N 3.5Å; D1397-L1399 VanDerWaalsContact O-N 3.14Å; D1397-L1399 WeakPolarHBondContact OD2-CA 3.43Å; D1397-L1399 WeakPolarHBondContact OD2-CB 3.15Å; D1397-L1399 PolarHBondContact OD2-N 2.66Å; D1397-C1400 HydrophobicContact CB-CB 4.22Å; D1397-C1400 PolarHBondContact OD2-N 2.63Å; D1397-G1401 WeakPolarHBondContact CB-O 3.05Å; D1397-G1401 PolarHBondContact N-O 3.46Å; D1397-G1401 VanDerWaalsContact N-O 3.1Å; D1397-G1401 VanDerWaalsContact O-CA 3.27Å; D1397-G1401 WeakPolarHBondContact O-CA 3.49Å; D1397-G1401 PolarHBondContact O-N 2.71Å
1398D74Confident72.4Confident171 Ų17167.9 Ų67.991%0.91440%0.403SS*.THydrogen-bonded Turntrans-61.9-23.2-175.8-68.3-36000113.7
1399L71.8Confident72.2Confident120 Ų12066.1 Ų66.163%0.62840%0.395SS*.THydrogen-bonded Turntrans-106-37.9180-95.3115.8000113.3D1397 S1412 C1413D1397-L1399 PolarHBondContact O-N 3.5Å; D1397-L1399 VanDerWaalsContact O-N 3.14Å; D1397-L1399 WeakPolarHBondContact OD2-CA 3.43Å; D1397-L1399 WeakPolarHBondContact OD2-CB 3.15Å; D1397-L1399 PolarHBondContact OD2-N 2.66Å; L1399-S1412 WeakPolarHBondContact CD2-OG 2.81Å; L1399-C1413 PolarHBondContact O-SG 2.99Å; L1399-C1413 VanDerWaalsContact O-SG 3.38Å
1400C74.7Confident71.6Confident13 Ų1366.7 Ų66.79%0.08840%0.401CS..THydrogen-bonded Turntrans-111.6-11.5-170.5-59.70000114.3C1389 A1391 D1397 C1408 G1409 C1413C1389-C1400 WeakPolarHBondContact CB-O 3.11Å; A1391-C1400 HydrophobicContact CB-CB 3.65Å; D1397-C1400 HydrophobicContact CB-CB 4.22Å; D1397-C1400 PolarHBondContact OD2-N 2.63Å; C1400-C1408 CarbonylContact O-C 3.42Å; C1400-C1408 WeakPolarHBondContact O-CA 3.45Å; C1400-G1409 PolarHBondContact O-N 2.97Å; C1400-C1413 WeakPolarHBondContact CA-SG 3.01Å; C1400-C1413 HydrophobicContact CB-CB 3.77Å; C1400-C1413 WeakPolarHBondContact CB-SG 3.06Å; C1400-C1413 WeakPolarHBondContact SG-CB 3.49Å; C1400-C1413 CovalentContact SG-SG 2.03Å; C1400-C1413 PolarHBondContact SG-SG 3.05Å
1401G74.4Confident71Confident6 Ų672 Ų726%0.06243%0.433CS..BIsolated β-bridgetrans68.4-144.9-179.600000113.5D1397 K1407D1397-G1401 WeakPolarHBondContact CB-O 3.05Å; D1397-G1401 PolarHBondContact N-O 3.46Å; D1397-G1401 VanDerWaalsContact N-O 3.1Å; D1397-G1401 VanDerWaalsContact O-CA 3.27Å; D1397-G1401 WeakPolarHBondContact O-CA 3.49Å; D1397-G1401 PolarHBondContact O-N 2.71Å; G1401-K1407 VanDerWaalsContact CA-O 3.27Å; G1401-K1407 WeakPolarHBondContact CA-O 3.33Å
1402G75.6Confident70.6Confident2 Ų275.2 Ų75.22%0.02145%0.454CS..  trans173.3170.3-174.100000113.1C1389 G1404 C1405 K1407C1389-G1402 WeakPolarHBondContact SG-CA 3.42Å; G1402-G1404 PolarHBondContact O-N 2.95Å; G1402-C1405 VanDerWaalsContact O-CB 3.27Å; G1402-C1405 WeakPolarHBondContact O-CB 3.38Å; G1402-C1405 PolarHBondContact O-N 3.03Å; G1402-C1405 VanDerWaalsContact O-N 3.12Å; G1402-C1405 PolarHBondContact O-SG 3.01Å; G1402-K1407 PolarHBondContact N-O 3.34Å
1403A63.6Low70.4Confident50 Ų5069.4 Ų69.441%0.41343%0.429SS..THydrogen-bonded Turntrans-62.4120.9166.400000109.2I1381 N1385I1381-A1403 HydrophobicContact CG2-CB 4.41Å; N1385-A1403 WeakPolarHBondContact OD1-CB 3.47Å; N1385-A1403 PolarHBondContact OD1-N 2.71Å
1404G66.6Low70.2Confident87 Ų8777.1 Ų77.190%0.89746%0.455SS*.THydrogen-bonded Turntrans94.99.1-172.400000115.2G1402G1402-G1404 PolarHBondContact O-N 2.95Å
1405C74.5Confident70.4Confident28 Ų2876.5 Ų76.519%0.18945%0.448CS..SBendtrans-116.9152.6-177.7-50.60000112.1C1396 G1402 K1407C1396-C1405 WeakPolarHBondContact CA-SG 3.39Å; C1396-C1405 HydrophobicContact CB-CB 3.87Å; C1396-C1405 WeakPolarHBondContact CB-SG 3.01Å; C1396-C1405 WeakPolarHBondContact SG-CB 3.38Å; C1396-C1405 CovalentContact SG-SG 2.03Å; C1396-C1405 PolarHBondContact SG-SG 3.44Å; G1402-C1405 VanDerWaalsContact O-CB 3.27Å; G1402-C1405 WeakPolarHBondContact O-CB 3.38Å; G1402-C1405 PolarHBondContact O-N 3.03Å; G1402-C1405 VanDerWaalsContact O-N 3.12Å; G1402-C1405 PolarHBondContact O-SG 3.01Å; C1405-K1407 WeakPolarHBondContact CB-O 3.08Å; C1405-K1407 PolarHBondContact O-N 2.66Å
1406D71.6Confident70.8Confident174 Ų17472.4 Ų72.493%0.9342%0.419SS*.SBendtrans-59.1-17.8-179.4-58.5-18.5000114.2
1407K70.9Confident71Confident166 Ų16672.2 Ų72.272%0.72242%0.419SS*.  trans-139.8151.9178.1-62.2-179-177.3174.70109.1G1401 G1402 C1405G1401-K1407 VanDerWaalsContact CA-O 3.27Å; G1401-K1407 WeakPolarHBondContact CA-O 3.33Å; G1402-K1407 PolarHBondContact N-O 3.34Å; C1405-K1407 WeakPolarHBondContact CB-O 3.08Å; C1405-K1407 PolarHBondContact O-N 2.66Å
1408C74.4Confident70.7Confident35 Ų3572.1 Ų72.124%0.23642%0.42CS..BIsolated β-bridgetrans-150.6119.2172.9167.30000107.2C1389 C1400 V1418C1389-C1408 WeakPolarHBondContact CA-SG 3.14Å; C1389-C1408 HydrophobicContact CB-CB 4.02Å; C1389-C1408 WeakPolarHBondContact CB-SG 3.42Å; C1389-C1408 WeakPolarHBondContact SG-CB 2.94Å; C1389-C1408 CovalentContact SG-SG 2.04Å; C1389-C1408 PolarHBondContact SG-SG 2.86Å; C1400-C1408 CarbonylContact O-C 3.42Å; C1400-C1408 WeakPolarHBondContact O-CA 3.45Å; C1408-V1418 VanDerWaalsContact O-CG1 3.31Å; C1408-V1418 WeakPolarHBondContact O-CG1 3.22Å
1409G67.9Low70.5Confident13 Ų1364.2 Ų64.213%0.13438%0.378CS..  trans82.1177.1-168.800000114C1389 C1400C1389-G1409 WeakPolarHBondContact O-CA 3.11Å; C1400-G1409 PolarHBondContact O-N 2.97Å
1410G65.7Low70.5Confident14 Ų1463 Ų6314%0.14437%0.367CS..  trans152.1176-176.900000112.7S1412 C1413 T1419G1410-S1412 PolarHBondContact O-N 3.47Å; G1410-C1413 PolarHBondContact O-N 3.31Å; G1410-T1419 PolarHBondContact N-OG1 3.13Å; G1410-T1419 WeakPolarHBondContact O-CG2 3.27Å
1411P65.8Low70.1Confident129 Ų12966 Ų6684%0.83839%0.389SS*.THydrogen-bonded Turntrans-57.2-25.8-171.9-26.835.1000115.3
1412S66.4Low69.7Low80 Ų8070.7 Ų70.756%0.55941%0.409SS*.THydrogen-bonded Turntrans-84.3-17.6178.7-57.10000113.8L1399 G1410 R1414L1399-S1412 WeakPolarHBondContact CD2-OG 2.81Å; G1410-S1412 PolarHBondContact O-N 3.47Å; S1412-R1414 PolarHBondContact O-N 2.03Å
1413C72.8Confident69.3Low2 Ų275.7 Ų75.71%0.01443%0.431CS..  trans-10962.7-159.8-57.50000111.5C1389 L1399 C1400 G1410 E1415 G1416 T1419C1389-C1413 WeakPolarHBondContact O-CB 3.22Å; L1399-C1413 PolarHBondContact O-SG 2.99Å; L1399-C1413 VanDerWaalsContact O-SG 3.38Å; C1400-C1413 WeakPolarHBondContact CA-SG 3.01Å; C1400-C1413 HydrophobicContact CB-CB 3.77Å; C1400-C1413 WeakPolarHBondContact CB-SG 3.06Å; C1400-C1413 WeakPolarHBondContact SG-CB 3.49Å; C1400-C1413 CovalentContact SG-SG 2.03Å; C1400-C1413 PolarHBondContact SG-SG 3.05Å; G1410-C1413 PolarHBondContact O-N 3.31Å; C1413-E1415 VanDerWaalsContact C-N 3.28Å; C1413-E1415 PolarHBondContact O-N 3.12Å; C1413-G1416 PolarHBondContact O-N 3.26Å; C1413-T1419 VanDerWaalsContact O-CB 3.28Å; C1413-T1419 WeakPolarHBondContact O-CB 3.42Å; C1413-T1419 PolarHBondContact O-OG1 3.09Å
1414R68.2Low69.4Low190 Ų19075.9 Ų75.972%0.71743%0.433SS*.THydrogen-bonded Turntrans-66.4-20.6-163.6-61.9-177.9178.1-172.6-1.6115.6S1412 K1420S1412-R1414 PolarHBondContact O-N 2.03Å; R1414-K1420 WeakPolarHBondContact O-CE 3.39Å
1415E71.9Confident69.4Low126 Ų12678 Ų7859%0.58942%0.421SS*.THydrogen-bonded Turntrans-89.5-18.2-177.8-70.7-61.3166.100114.2C1413 K1420C1413-E1415 VanDerWaalsContact C-N 3.28Å; C1413-E1415 PolarHBondContact O-N 3.12Å; E1415-K1420 WeakPolarHBondContact O-CE 2.92Å; E1415-K1420 PolarHBondContact O-NZ 3.33Å; E1415-K1420 IonicContact OE2-NZ 3.8Å; E1415-K1420 PolarHBondContact OE2-NZ 3.32Å
1416G73.3Confident68.9Low0 Ų082.4 Ų82.40%044%0.439CS..SBendtrans-69.7141.1-176.800000113.7V1388 C1413 V1418 T1419 K1420V1388-G1416 CarbonylContact O-C 2.94Å; V1388-G1416 VanDerWaalsContact O-C 3.3Å; V1388-G1416 WeakPolarHBondContact O-CA 3.1Å; C1413-G1416 PolarHBondContact O-N 3.26Å; G1416-V1418 VanDerWaalsContact C-N 3.27Å; G1416-V1418 PolarHBondContact O-N 2.77Å; G1416-T1419 PolarHBondContact O-N 3.41Å; G1416-K1420 WeakPolarHBondContact O-CG 3.48Å; G1416-K1420 PolarHBondContact O-N 2.81Å
1417S71.7Confident68.5Low63 Ų6376.9 Ų76.944%0.44141%0.407SS..Hα-helixtrans-61.4-30.1176.3-61.20000113.1F1387 V1388 S1421F1387-S1417 VanDerWaalsContact O-CB 3.29Å; F1387-S1417 WeakPolarHBondContact O-CB 3.38Å; F1387-S1417 PolarHBondContact O-N 3.45Å; F1387-S1417 PolarHBondContact O-OG 2.68Å; V1388-S1417 PolarHBondContact O-N 2.81Å; S1417-S1421 WeakPolarHBondContact O-CA 3.16Å; S1417-S1421 WeakPolarHBondContact O-CB 3.12Å; S1417-S1421 PolarHBondContact O-N 3.18Å
1418V69.8Low67.9Low46 Ų4672 Ų7228%0.27939%0.394SS..Hα-helixtrans-64.7-53.6173.2178.70000109.9V1388 C1408 G1416 K1420 S1421 E1422V1388-V1418 HydrophobicContact CG1-CG2 3.86Å; V1388-V1418 PolarHBondContact O-N 3.42Å; C1408-V1418 VanDerWaalsContact O-CG1 3.31Å; C1408-V1418 WeakPolarHBondContact O-CG1 3.22Å; G1416-V1418 VanDerWaalsContact C-N 3.27Å; G1416-V1418 PolarHBondContact O-N 2.77Å; V1418-K1420 VanDerWaalsContact C-N 3.27Å; V1418-K1420 PolarHBondContact O-N 2.93Å; V1418-S1421 CarbonylContact O-C 3.23Å; V1418-S1421 PolarHBondContact O-N 3.12Å; V1418-E1422 HydrophobicContact CG1-CG 4.42Å; V1418-E1422 PolarHBondContact O-N 3.24Å
1419T69.8Low67.3Low5 Ų576.5 Ų76.53%0.03141%0.41CS..Hα-helixtrans-59.2-37.7177.3-39.40000112.2G1410 C1413 G1416 Q1423G1410-T1419 PolarHBondContact N-OG1 3.13Å; G1410-T1419 WeakPolarHBondContact O-CG2 3.27Å; C1413-T1419 VanDerWaalsContact O-CB 3.28Å; C1413-T1419 WeakPolarHBondContact O-CB 3.42Å; C1413-T1419 PolarHBondContact O-OG1 3.09Å; G1416-T1419 PolarHBondContact O-N 3.41Å; T1419-Q1423 WeakPolarHBondContact O-CB 3.43Å; T1419-Q1423 WeakPolarHBondContact O-CG 3.17Å; T1419-Q1423 PolarHBondContact O-N 2.79Å
1420K70.4Confident67.1Low95 Ų9579.7 Ų79.741%0.41342%0.421SS..Hα-helixtrans-70.2-35.5174.5-74.2169.1178.4159.70112.4R1414 E1415 G1416 V1418 A1424R1414-K1420 WeakPolarHBondContact O-CE 3.39Å; E1415-K1420 WeakPolarHBondContact O-CE 2.92Å; E1415-K1420 PolarHBondContact O-NZ 3.33Å; E1415-K1420 IonicContact OE2-NZ 3.8Å; E1415-K1420 PolarHBondContact OE2-NZ 3.32Å; G1416-K1420 WeakPolarHBondContact O-CG 3.48Å; G1416-K1420 PolarHBondContact O-N 2.81Å; V1418-K1420 VanDerWaalsContact C-N 3.27Å; V1418-K1420 PolarHBondContact O-N 2.93Å; K1420-A1424 VanDerWaalsContact O-CB 3.24Å; K1420-A1424 WeakPolarHBondContact O-CB 3.33Å; K1420-A1424 PolarHBondContact O-N 3.15Å
1421S66.7Low66.8Low76 Ų7679.9 Ų79.953%0.53142%0.421SS..Hα-helixtrans-75.3-37.2177.6-1640000111.7S1417 V1418 A1424 M1425S1417-S1421 WeakPolarHBondContact O-CA 3.16Å; S1417-S1421 WeakPolarHBondContact O-CB 3.12Å; S1417-S1421 PolarHBondContact O-N 3.18Å; V1418-S1421 CarbonylContact O-C 3.23Å; V1418-S1421 PolarHBondContact O-N 3.12Å; S1421-A1424 CarbonylContact O-C 3.47Å; S1421-A1424 PolarHBondContact O-N 3.01Å; S1421-M1425 WeakPolarHBondContact O-CB 3.22Å; S1421-M1425 PolarHBondContact O-N 3.33Å
1422E66.3Low66.7Low104 Ų10476.8 Ų76.849%0.48640%0.402SS..Hα-helixtrans-62.3-45.3168.2-73.8-175.8139.900110.9V1418 A1424 M1425 Q1426V1418-E1422 HydrophobicContact CG1-CG 4.42Å; V1418-E1422 PolarHBondContact O-N 3.24Å; E1422-A1424 VanDerWaalsContact C-N 3.3Å; E1422-A1424 PolarHBondContact O-N 3.17Å; E1422-M1425 PolarHBondContact O-N 2.85Å; E1422-Q1426 WeakPolarHBondContact O-CB 3.3Å; E1422-Q1426 PolarHBondContact O-N 3Å
1423Q66.5Low66.7Low106 Ų10678.1 Ų78.150%0.49540%0.4SS..Hα-helixtrans-63.2-34.9174.3-75.1174.323.900112.7T1419 F1427T1419-Q1423 WeakPolarHBondContact O-CB 3.43Å; T1419-Q1423 WeakPolarHBondContact O-CG 3.17Å; T1419-Q1423 PolarHBondContact O-N 2.79Å; Q1423-F1427 WeakPolarHBondContact O-CB 3.01Å; Q1423-F1427 PolarHBondContact O-N 3.29Å
1424A66.6Low66.3Low55 Ų5584.2 Ų84.246%0.45543%0.426SS..Hα-helixtrans-75.8-36.117600000112.5K1420 S1421 E1422 S1428K1420-A1424 VanDerWaalsContact O-CB 3.24Å; K1420-A1424 WeakPolarHBondContact O-CB 3.33Å; K1420-A1424 PolarHBondContact O-N 3.15Å; S1421-A1424 CarbonylContact O-C 3.47Å; S1421-A1424 PolarHBondContact O-N 3.01Å; E1422-A1424 VanDerWaalsContact C-N 3.3Å; E1422-A1424 PolarHBondContact O-N 3.17Å; A1424-S1428 WeakPolarHBondContact O-CA 3.4Å; A1424-S1428 WeakPolarHBondContact O-CB 3.27Å; A1424-S1428 PolarHBondContact O-N 2.85Å
1425M65.8Low65.9Low131 Ų13179.7 Ų79.765%0.64542%0.415SS*.Hα-helixtrans-73.4-41.7177-174.9-179.874.600110.8S1421 E1422 S1428 K1429S1421-M1425 WeakPolarHBondContact O-CB 3.22Å; S1421-M1425 PolarHBondContact O-N 3.33Å; E1422-M1425 PolarHBondContact O-N 2.85Å; M1425-S1428 CarbonylContact O-C 3.45Å; M1425-S1428 PolarHBondContact O-N 2.92Å; M1425-K1429 VanDerWaalsContact O-CB 3.27Å; M1425-K1429 WeakPolarHBondContact O-CB 2.76Å; M1425-K1429 PolarHBondContact O-N 3.03Å
1426Q64.6Low65.5Low121 Ų12178.8 Ų78.857%0.56541%0.411SS*.Hα-helixtrans-65.9-42.4172.9-178164.4-9.200110.7E1422 S1428 K1429 E1430E1422-Q1426 WeakPolarHBondContact O-CB 3.3Å; E1422-Q1426 PolarHBondContact O-N 3Å; Q1426-S1428 VanDerWaalsContact C-N 3.34Å; Q1426-S1428 PolarHBondContact O-N 3.41Å; Q1426-K1429 PolarHBondContact O-N 3.06Å; Q1426-E1430 HydrophobicContact CG-CG 4.42Å; Q1426-E1430 WeakPolarHBondContact CG-OE1 3.22Å; Q1426-E1430 PolarHBondContact NE2-OE1 3.33Å; Q1426-E1430 VanDerWaalsContact O-CB 3.31Å; Q1426-E1430 WeakPolarHBondContact O-CB 3.26Å; Q1426-E1430 VanDerWaalsContact O-CG 3.3Å; Q1426-E1430 WeakPolarHBondContact O-CG 2.82Å; Q1426-E1430 PolarHBondContact O-N 3.47Å
1427F62.6Low65.2Low57 Ų5782 Ų8225%0.2543%0.426CS..Hα-helixtrans-63.8-36.8171.4179.8-103.7000112.6Q1423 A1431 L1647 K1651Q1423-F1427 WeakPolarHBondContact O-CB 3.01Å; Q1423-F1427 PolarHBondContact O-N 3.29Å; F1427-A1431 WeakPolarHBondContact O-CA 3.07Å; F1427-A1431 WeakPolarHBondContact O-CB 3.16Å; F1427-A1431 PolarHBondContact O-N 3.01Å; F1427-L1647 HydrophobicContact CE1-CB 4.32Å; F1427-L1647 HydrophobicContact CE1-CD1 4.4Å; F1427-L1647 HydrophobicContact CE2-CB 3.98Å; F1427-L1647 HydrophobicContact CZ-CB 3.44Å; F1427-L1647 VanDerWaalsContact CZ-CB 3.44Å; F1427-L1647 HydrophobicContact CZ-CD1 4.2Å; F1427-L1647 HydrophobicContact CZ-CG 4.41Å; F1427-K1651 HydrophobicContact CD2-CD 4.31Å; F1427-K1651 HydrophobicContact CE2-CD 4.18Å
1428S57.6Low64.8Low65 Ų6584.7 Ų84.746%0.45543%0.43SS..Hα-helixtrans-70.8-34.9176178.20000112.2A1424 M1425 Q1426 S1432A1424-S1428 WeakPolarHBondContact O-CA 3.4Å; A1424-S1428 WeakPolarHBondContact O-CB 3.27Å; A1424-S1428 PolarHBondContact O-N 2.85Å; M1425-S1428 CarbonylContact O-C 3.45Å; M1425-S1428 PolarHBondContact O-N 2.92Å; Q1426-S1428 VanDerWaalsContact C-N 3.34Å; Q1426-S1428 PolarHBondContact O-N 3.41Å; S1428-S1432 WeakPolarHBondContact O-CB 3.47Å; S1428-S1432 PolarHBondContact O-N 3.21Å; S1428-S1432 PolarHBondContact O-OG 3.41Å
1429K63.7Low64.5Low129 Ų12987.6 Ų87.656%0.56144%0.441SS*.Hα-helixtrans-71.6-49.9173.9-175.9174.9173.3179.60110.8M1425 Q1426 A1431 S1432 E1433M1425-K1429 VanDerWaalsContact O-CB 3.27Å; M1425-K1429 WeakPolarHBondContact O-CB 2.76Å; M1425-K1429 PolarHBondContact O-N 3.03Å; Q1426-K1429 PolarHBondContact O-N 3.06Å; K1429-A1431 VanDerWaalsContact C-N 3.26Å; K1429-A1431 PolarHBondContact O-N 3.1Å; K1429-S1432 PolarHBondContact O-N 2.84Å; K1429-S1432 VanDerWaalsContact O-N 3.14Å; K1429-E1433 WeakPolarHBondContact CE-OE1 3.47Å; K1429-E1433 HydrophobicContact CG-CG 4.34Å; K1429-E1433 IonicContact NZ-OE1 2.94Å; K1429-E1433 WeakPolarHBondContact O-CB 3.36Å; K1429-E1433 WeakPolarHBondContact O-CG 3.12Å; K1429-E1433 PolarHBondContact O-N 3.3Å
1430E62.4Low64.5Low80 Ų8094.8 Ų94.837%0.37447%0.467SS..Hα-helixtrans-59.2-36.8172.5-73.1172.1-162.700111.9Q1426 K1434Q1426-E1430 HydrophobicContact CG-CG 4.42Å; Q1426-E1430 WeakPolarHBondContact CG-OE1 3.22Å; Q1426-E1430 PolarHBondContact NE2-OE1 3.33Å; Q1426-E1430 VanDerWaalsContact O-CB 3.31Å; Q1426-E1430 WeakPolarHBondContact O-CB 3.26Å; Q1426-E1430 VanDerWaalsContact O-CG 3.3Å; Q1426-E1430 WeakPolarHBondContact O-CG 2.82Å; Q1426-E1430 PolarHBondContact O-N 3.47Å; E1430-K1434 VanDerWaalsContact O-CB 3.24Å; E1430-K1434 WeakPolarHBondContact O-CB 3.05Å; E1430-K1434 VanDerWaalsContact O-CG 3.28Å; E1430-K1434 WeakPolarHBondContact O-CG 3.44Å; E1430-K1434 PolarHBondContact O-N 2.84Å
1431A60.3Low64.4Low17 Ų1797.3 Ų97.314%0.1447%0.474CS..Hα-helixtrans-69.6-42.7173.800000111.7F1427 K1429 K1434 L1435 L1647F1427-A1431 WeakPolarHBondContact O-CA 3.07Å; F1427-A1431 WeakPolarHBondContact O-CB 3.16Å; F1427-A1431 PolarHBondContact O-N 3.01Å; K1429-A1431 VanDerWaalsContact C-N 3.26Å; K1429-A1431 PolarHBondContact O-N 3.1Å; A1431-K1434 CarbonylContact O-C 3.49Å; A1431-K1434 PolarHBondContact O-N 3.03Å; A1431-L1435 VanDerWaalsContact O-CB 3.3Å; A1431-L1435 WeakPolarHBondContact O-CB 2.91Å; A1431-L1435 PolarHBondContact O-N 3.13Å; A1431-L1647 HydrophobicContact CB-CD1 3.81Å
1432S63.4Low64.1Low64 Ų6495.5 Ų95.545%0.44846%0.464SS..Hα-helixtrans-71.8-39.5179.8-600000112.3S1428 K1429 L1435 E1436S1428-S1432 WeakPolarHBondContact O-CB 3.47Å; S1428-S1432 PolarHBondContact O-N 3.21Å; S1428-S1432 PolarHBondContact O-OG 3.41Å; K1429-S1432 PolarHBondContact O-N 2.84Å; K1429-S1432 VanDerWaalsContact O-N 3.14Å; S1432-L1435 PolarHBondContact O-N 2.83Å; S1432-E1436 WeakPolarHBondContact O-CB 3.31Å; S1432-E1436 PolarHBondContact O-N 3.16Å
1433E67.1Low64.2Low109 Ų10994.3 Ų94.351%0.50946%0.461SS..Hα-helixtrans-64.8-42.9172.8-73.9174.5174.800110.4K1429 E1437K1429-E1433 WeakPolarHBondContact CE-OE1 3.47Å; K1429-E1433 HydrophobicContact CG-CG 4.34Å; K1429-E1433 IonicContact NZ-OE1 2.94Å; K1429-E1433 WeakPolarHBondContact O-CB 3.36Å; K1429-E1433 WeakPolarHBondContact O-CG 3.12Å; K1429-E1433 PolarHBondContact O-N 3.3Å; E1433-E1437 WeakPolarHBondContact O-CB 3.24Å; E1433-E1437 PolarHBondContact O-N 2.82Å
1434K62.6Low64Low129 Ų12993.8 Ų93.856%0.56146%0.459SS*.Hα-helixtrans-66.5-37.1170.7-76.1178179.41710112.1E1430 A1431 E1437 K1438E1430-K1434 VanDerWaalsContact O-CB 3.24Å; E1430-K1434 WeakPolarHBondContact O-CB 3.05Å; E1430-K1434 VanDerWaalsContact O-CG 3.28Å; E1430-K1434 WeakPolarHBondContact O-CG 3.44Å; E1430-K1434 PolarHBondContact O-N 2.84Å; A1431-K1434 CarbonylContact O-C 3.49Å; A1431-K1434 PolarHBondContact O-N 3.03Å; K1434-E1437 PolarHBondContact O-N 3.17Å; K1434-K1438 WeakPolarHBondContact O-CB 3.45Å; K1434-K1438 VanDerWaalsContact O-CG 3.22Å; K1434-K1438 WeakPolarHBondContact O-CG 3.38Å; K1434-K1438 PolarHBondContact O-N 3.39Å
1435L60Low63.9Low95 Ų9596 Ų9650%0.49746%0.463SS..Hα-helixtrans-65.5-48.1177.2-13182.7000110.3A1431 S1432 K1438 Q1439A1431-L1435 VanDerWaalsContact O-CB 3.3Å; A1431-L1435 WeakPolarHBondContact O-CB 2.91Å; A1431-L1435 PolarHBondContact O-N 3.13Å; S1432-L1435 PolarHBondContact O-N 2.83Å; L1435-K1438 CarbonylContact O-C 3.59Å; L1435-K1438 PolarHBondContact O-N 3.09Å; L1435-Q1439 WeakPolarHBondContact O-CA 3.46Å; L1435-Q1439 WeakPolarHBondContact O-CB 3.43Å; L1435-Q1439 PolarHBondContact O-N 2.02Å
1436E65.1Low63.9Low107 Ų10793.3 Ų93.350%0.545%0.454SS..Hα-helixtrans-63.5-41.4174.8-84.9-154.7171.900112S1432 K1438 Q1439 R1440S1432-E1436 WeakPolarHBondContact O-CB 3.31Å; S1432-E1436 PolarHBondContact O-N 3.16Å; E1436-K1438 VanDerWaalsContact C-N 3.35Å; E1436-K1438 PolarHBondContact O-N 3.08Å; E1436-Q1439 PolarHBondContact O-N 3.25Å; E1436-R1440 VanDerWaalsContact O-CB 3.32Å; E1436-R1440 WeakPolarHBondContact O-CB 3.18Å; E1436-R1440 VanDerWaalsContact O-CG 3.28Å; E1436-R1440 WeakPolarHBondContact O-CG 3.17Å; E1436-R1440 PolarHBondContact O-N 2.87Å; E1436-R1440 IonicContact OE2-CZ 3.59Å; E1436-R1440 IonicContact OE2-NE 2.87Å; E1436-R1440 IonicContact OE2-NH2 2.67Å; E1436-R1440 PolarHBondContact OE2-NH2 2.88Å
1437E65.8Low63.7Low68 Ų6891.7 Ų91.732%0.31845%0.449SS..Hα-helixtrans-61.8-45.7176.1-168.6-145.9-168.100110.3E1433 K1434 R1441E1433-E1437 WeakPolarHBondContact O-CB 3.24Å; E1433-E1437 PolarHBondContact O-N 2.82Å; K1434-E1437 PolarHBondContact O-N 3.17Å; E1437-R1441 WeakPolarHBondContact O-CB 3.12Å; E1437-R1441 WeakPolarHBondContact O-CG 3.25Å; E1437-R1441 PolarHBondContact O-N 3.06Å; E1437-R1441 IonicContact OE1-CZ 2.89Å; E1437-R1441 IonicContact OE1-NE 3.78Å; E1437-R1441 PolarHBondContact OE1-NE 3.26Å; E1437-R1441 IonicContact OE1-NH2 3.86Å; E1437-R1441 PolarHBondContact OE1-NH2 2.86Å
1438K64Low63.9Low119 Ų11996.8 Ų96.852%0.51747%0.467SS..Hα-helixtrans-68.6-33174.8-63.9-46.1172-135.10112.3K1434 L1435 E1436 A1442K1434-K1438 WeakPolarHBondContact O-CB 3.45Å; K1434-K1438 VanDerWaalsContact O-CG 3.22Å; K1434-K1438 WeakPolarHBondContact O-CG 3.38Å; K1434-K1438 PolarHBondContact O-N 3.39Å; L1435-K1438 CarbonylContact O-C 3.59Å; L1435-K1438 PolarHBondContact O-N 3.09Å; E1436-K1438 VanDerWaalsContact C-N 3.35Å; E1436-K1438 PolarHBondContact O-N 3.08Å; K1438-A1442 WeakPolarHBondContact O-CA 3.27Å; K1438-A1442 WeakPolarHBondContact O-CB 3.02Å; K1438-A1442 PolarHBondContact O-N 3.41Å
1439Q63.9Low64.1Low108 Ų10898.6 Ų98.651%0.50547%0.471SS..Hα-helixtrans-74.3-41.4178.3-170.368.437.200111.6L1435 E1436 A1442 N1443L1435-Q1439 WeakPolarHBondContact O-CA 3.46Å; L1435-Q1439 WeakPolarHBondContact O-CB 3.43Å; L1435-Q1439 PolarHBondContact O-N 2.02Å; E1436-Q1439 PolarHBondContact O-N 3.25Å; Q1439-A1442 PolarHBondContact O-N 3.02Å; Q1439-N1443 PolarHBondContact NE2-OD1 3.35Å; Q1439-N1443 WeakPolarHBondContact O-CB 3.5Å; Q1439-N1443 PolarHBondContact O-N 3Å; Q1439-N1443 PolarHBondContact O-OD1 3.2Å
1440R69.1Low64.3Low155 Ų155100.6 Ų100.659%0.58548%0.475SS*.Hα-helixtrans-66.6-44.1172.4-69.1-174.3-139.6167.64.5110.5E1436 A1442 N1443 M1444E1436-R1440 VanDerWaalsContact O-CB 3.32Å; E1436-R1440 WeakPolarHBondContact O-CB 3.18Å; E1436-R1440 VanDerWaalsContact O-CG 3.28Å; E1436-R1440 WeakPolarHBondContact O-CG 3.17Å; E1436-R1440 PolarHBondContact O-N 2.87Å; E1436-R1440 IonicContact OE2-CZ 3.59Å; E1436-R1440 IonicContact OE2-NE 2.87Å; E1436-R1440 IonicContact OE2-NH2 2.67Å; E1436-R1440 PolarHBondContact OE2-NH2 2.88Å; R1440-A1442 VanDerWaalsContact C-N 3.33Å; R1440-A1442 PolarHBondContact O-N 2.83Å; R1440-N1443 PolarHBondContact O-N 3.33Å; R1440-M1444 HydrophobicContact CB-CE 4.26Å; R1440-M1444 VanDerWaalsContact O-CB 3.28Å; R1440-M1444 WeakPolarHBondContact O-CB 3.39Å; R1440-M1444 WeakPolarHBondContact O-CE 3.29Å; R1440-M1444 WeakPolarHBondContact O-CG 3.48Å; R1440-M1444 PolarHBondContact O-N 2.62Å
1441R68.3Low64.5Low149 Ų149102.8 Ų102.856%0.56249%0.485SS*.Hα-helixtrans-61.5-39.9171.9-72.6175.3-173.3-123.44.6111.3E1437 L1445E1437-R1441 WeakPolarHBondContact O-CB 3.12Å; E1437-R1441 WeakPolarHBondContact O-CG 3.25Å; E1437-R1441 PolarHBondContact O-N 3.06Å; E1437-R1441 IonicContact OE1-CZ 2.89Å; E1437-R1441 IonicContact OE1-NE 3.78Å; E1437-R1441 PolarHBondContact OE1-NE 3.26Å; E1437-R1441 IonicContact OE1-NH2 3.86Å; E1437-R1441 PolarHBondContact OE1-NH2 2.86Å; R1441-L1445 WeakPolarHBondContact O-CB 2.96Å; R1441-L1445 PolarHBondContact O-N 2.69Å
1442A61.2Low64.5Low38 Ų38104.5 Ų104.531%0.31450%0.499SS..Hα-helixtrans-68.8-45.7177.400000112K1438 Q1439 R1440 L1445 V1446K1438-A1442 WeakPolarHBondContact O-CA 3.27Å; K1438-A1442 WeakPolarHBondContact O-CB 3.02Å; K1438-A1442 PolarHBondContact O-N 3.41Å; Q1439-A1442 PolarHBondContact O-N 3.02Å; R1440-A1442 VanDerWaalsContact C-N 3.33Å; R1440-A1442 PolarHBondContact O-N 2.83Å; A1442-L1445 CarbonylContact O-C 3.46Å; A1442-L1445 PolarHBondContact O-N 3.42Å; A1442-L1445 VanDerWaalsContact O-N 3.15Å; A1442-V1446 WeakPolarHBondContact O-CB 3.42Å; A1442-V1446 VanDerWaalsContact O-CG2 3.25Å; A1442-V1446 WeakPolarHBondContact O-CG2 3.4Å; A1442-V1446 PolarHBondContact O-N 3.04Å
1443N66.7Low64.3Low79 Ų79106.6 Ų106.642%0.42250%0.502SS..Hα-helixtrans-63.2-46.9176-70.60.2000110.7Q1439 R1440 L1445 V1446 D1447Q1439-N1443 PolarHBondContact NE2-OD1 3.35Å; Q1439-N1443 WeakPolarHBondContact O-CB 3.5Å; Q1439-N1443 PolarHBondContact O-N 3Å; Q1439-N1443 PolarHBondContact O-OD1 3.2Å; R1440-N1443 PolarHBondContact O-N 3.33Å; N1443-L1445 PolarHBondContact O-N 2.71Å; N1443-V1446 CarbonylContact O-C 3.57Å; N1443-V1446 PolarHBondContact O-N 3.27Å; N1443-V1446 VanDerWaalsContact O-N 3.08Å; N1443-D1447 PolarHBondContact O-N 2.96Å
1444M64.2Low64.3Low94 Ų94104.4 Ų104.446%0.46350%0.499SS..Hα-helixtrans-61.5-29.5172.9-79.3-171.4-83.400113.4R1440 R1448R1440-M1444 HydrophobicContact CB-CE 4.26Å; R1440-M1444 VanDerWaalsContact O-CB 3.28Å; R1440-M1444 WeakPolarHBondContact O-CB 3.39Å; R1440-M1444 WeakPolarHBondContact O-CE 3.29Å; R1440-M1444 WeakPolarHBondContact O-CG 3.48Å; R1440-M1444 PolarHBondContact O-N 2.62Å; M1444-R1448 VanDerWaalsContact O-CB 3.26Å; M1444-R1448 WeakPolarHBondContact O-CB 3.45Å; M1444-R1448 WeakPolarHBondContact O-CG 3.27Å; M1444-R1448 PolarHBondContact O-N 2.81Å; M1444-R1448 PolarHBondContact O-NE 3.13Å; M1444-R1448 VanDerWaalsContact O-NE 3.1Å
1445L64.6Low64.4Low101 Ų101103.1 Ų103.153%0.52950%0.498SS..Hα-helixtrans-78.2-35.6173.8-167.773.8000110.8R1441 A1442 N1443 L1449R1441-L1445 WeakPolarHBondContact O-CB 2.96Å; R1441-L1445 PolarHBondContact O-N 2.69Å; A1442-L1445 CarbonylContact O-C 3.46Å; A1442-L1445 PolarHBondContact O-N 3.42Å; A1442-L1445 VanDerWaalsContact O-N 3.15Å; N1443-L1445 PolarHBondContact O-N 2.71Å; L1445-L1449 HydrophobicContact CD2-CD1 4.41Å; L1445-L1449 HydrophobicContact CG-CD1 4.01Å; L1445-L1449 HydrophobicContact CG-CG 4.44Å; L1445-L1449 WeakPolarHBondContact O-CA 3.38Å; L1445-L1449 WeakPolarHBondContact O-CB 3.12Å; L1445-L1449 WeakPolarHBondContact O-CD1 3.15Å; L1445-L1449 WeakPolarHBondContact O-CG 3.34Å; L1445-L1449 PolarHBondContact O-N 2.78Å
1446V64.2Low64.1Low76 Ų76102.1 Ų102.146%0.46150%0.498SS..Hα-helixtrans-70.2-41176.7164.70000111.3A1442 N1443 L1449 R1450A1442-V1446 WeakPolarHBondContact O-CB 3.42Å; A1442-V1446 VanDerWaalsContact O-CG2 3.25Å; A1442-V1446 WeakPolarHBondContact O-CG2 3.4Å; A1442-V1446 PolarHBondContact O-N 3.04Å; N1443-V1446 CarbonylContact O-C 3.57Å; N1443-V1446 PolarHBondContact O-N 3.27Å; N1443-V1446 VanDerWaalsContact O-N 3.08Å; V1446-L1449 CarbonylContact O-C 3.59Å; V1446-L1449 PolarHBondContact O-N 3.11Å; V1446-R1450 WeakPolarHBondContact O-CB 3.3Å; V1446-R1450 PolarHBondContact O-N 3.5Å
1447D62.1Low64Low86 Ų86102.1 Ų102.146%0.4650%0.498SS..Hα-helixtrans-70.9-39174.9-73.4-32.6000111.4N1443 L1449 R1450 H1451N1443-D1447 PolarHBondContact O-N 2.96Å; D1447-L1449 VanDerWaalsContact C-N 3.35Å; D1447-R1450 PolarHBondContact O-N 2.87Å; D1447-H1451 PolarHBondContact O-N 2.65Å; D1447-H1451 PolarHBondContact O-ND1 2.97Å
1448R66.5Low64Low164 Ų164103.8 Ų103.862%0.61951%0.509SS*.Hα-helixtrans-64.6-36.8168.7-83.1-176.3-90.3-174.1-16.8112.5M1444 A1452M1444-R1448 VanDerWaalsContact O-CB 3.26Å; M1444-R1448 WeakPolarHBondContact O-CB 3.45Å; M1444-R1448 WeakPolarHBondContact O-CG 3.27Å; M1444-R1448 PolarHBondContact O-N 2.81Å; M1444-R1448 PolarHBondContact O-NE 3.13Å; M1444-R1448 VanDerWaalsContact O-NE 3.1Å; R1448-A1452 WeakPolarHBondContact O-CB 3.33Å; R1448-A1452 PolarHBondContact O-N 2.8Å
1449L61.8Low63.9Low103 Ų103100.6 Ų100.654%0.53951%0.505SS..Hα-helixtrans-69.9-33.7174.4-81.1165000111.3L1445 V1446 D1447 Q1453L1445-L1449 HydrophobicContact CD2-CD1 4.41Å; L1445-L1449 HydrophobicContact CG-CD1 4.01Å; L1445-L1449 HydrophobicContact CG-CG 4.44Å; L1445-L1449 WeakPolarHBondContact O-CA 3.38Å; L1445-L1449 WeakPolarHBondContact O-CB 3.12Å; L1445-L1449 WeakPolarHBondContact O-CD1 3.15Å; L1445-L1449 WeakPolarHBondContact O-CG 3.34Å; L1445-L1449 PolarHBondContact O-N 2.78Å; V1446-L1449 CarbonylContact O-C 3.59Å; V1446-L1449 PolarHBondContact O-N 3.11Å; D1447-L1449 VanDerWaalsContact C-N 3.35Å; L1449-Q1453 WeakPolarHBondContact O-CA 3.42Å; L1449-Q1453 WeakPolarHBondContact O-CB 3.4Å; L1449-Q1453 PolarHBondContact O-N 2.87Å
1450R67.1Low64.1Low171 Ų17199.3 Ų99.365%0.64550%0.501SS*.Hα-helixtrans-69.1-45.4173.8-95-179.5154.5-176.7-7.4112.4V1446 D1447 Q1453 S1454V1446-R1450 WeakPolarHBondContact O-CB 3.3Å; V1446-R1450 PolarHBondContact O-N 3.5Å; D1447-R1450 PolarHBondContact O-N 2.87Å; R1450-Q1453 PolarHBondContact O-N 3.37Å; R1450-S1454 WeakPolarHBondContact O-CB 3.45Å; R1450-S1454 PolarHBondContact O-N 2.99Å
1451H65.6Low64.1Low126 Ų12697.6 Ų97.658%0.58350%0.503SS*.Hα-helixtrans-65.6-49.3174.6-73.474.4000110.2D1447 Q1453 S1454 D1455D1447-H1451 PolarHBondContact O-N 2.65Å; D1447-H1451 PolarHBondContact O-ND1 2.97Å; H1451-Q1453 VanDerWaalsContact C-N 3.25Å; H1451-Q1453 PolarHBondContact O-N 2.72Å; H1451-S1454 WeakPolarHBondContact O-CB 3.18Å; H1451-S1454 PolarHBondContact O-N 2.67Å; H1451-S1454 VanDerWaalsContact O-N 3.12Å; H1451-D1455 WeakPolarHBondContact O-CB 3.07Å; H1451-D1455 VanDerWaalsContact O-CG 3.25Å; H1451-D1455 PolarHBondContact O-N 2.58Å
1452A60.8Low63.8Low53 Ų5393.9 Ų93.944%0.43849%0.494SS..Hα-helixtrans-63.3-27.5174.800000113.2R1448 S1456R1448-A1452 WeakPolarHBondContact O-CB 3.33Å; R1448-A1452 PolarHBondContact O-N 2.8Å; A1452-S1456 WeakPolarHBondContact O-CA 3.02Å; A1452-S1456 WeakPolarHBondContact O-CB 3.38Å; A1452-S1456 PolarHBondContact O-N 3.27Å
1453Q60.5Low63.8Low109 Ų10994.1 Ų94.151%0.50950%0.496SS..Hα-helixtrans-71.7-46.1171.7177.3-179.3-5.600110.3L1449 R1450 H1451 S1456 E1457L1449-Q1453 WeakPolarHBondContact O-CA 3.42Å; L1449-Q1453 WeakPolarHBondContact O-CB 3.4Å; L1449-Q1453 PolarHBondContact O-N 2.87Å; R1450-Q1453 PolarHBondContact O-N 3.37Å; H1451-Q1453 VanDerWaalsContact C-N 3.25Å; H1451-Q1453 PolarHBondContact O-N 2.72Å; Q1453-S1456 CarbonylContact O-C 3.59Å; Q1453-S1456 PolarHBondContact O-N 2.77Å; Q1453-E1457 HydrophobicContact CG-CG 4.34Å; Q1453-E1457 WeakPolarHBondContact CG-OE1 3.3Å; Q1453-E1457 PolarHBondContact NE2-OE1 2.72Å; Q1453-E1457 VanDerWaalsContact O-CB 3.32Å; Q1453-E1457 WeakPolarHBondContact O-CB 3.3Å; Q1453-E1457 WeakPolarHBondContact O-CG 3.37Å; Q1453-E1457 PolarHBondContact O-N 2.77Å
1454S65.9Low64Low63 Ų6396.7 Ų96.744%0.44150%0.504SS..Hα-helixtrans-59.9-47.6175.9-174.70000111.3R1450 H1451 E1457 L1458R1450-S1454 WeakPolarHBondContact O-CB 3.45Å; R1450-S1454 PolarHBondContact O-N 2.99Å; H1451-S1454 WeakPolarHBondContact O-CB 3.18Å; H1451-S1454 PolarHBondContact O-N 2.67Å; H1451-S1454 VanDerWaalsContact O-N 3.12Å; S1454-E1457 PolarHBondContact O-N 2.87Å; S1454-L1458 WeakPolarHBondContact O-CG 3.02Å; S1454-L1458 PolarHBondContact O-N 2.71Å
1455D64.8Low64.2Low101 Ų10197.2 Ų97.254%0.5451%0.505SS..Hα-helixtrans-66.6-37.6177.3-64.2-20.4000111.4H1451 A1459H1451-D1455 WeakPolarHBondContact O-CB 3.07Å; H1451-D1455 VanDerWaalsContact O-CG 3.25Å; H1451-D1455 PolarHBondContact O-N 2.58Å; D1455-A1459 WeakPolarHBondContact O-CB 3.43Å; D1455-A1459 PolarHBondContact O-N 2.85Å
1456S54.6Low64.1Low74 Ų7493.8 Ų93.852%0.51749%0.491SS..Hα-helixtrans-72.7-30175.1-175.20000112.7A1452 Q1453 L1460A1452-S1456 WeakPolarHBondContact O-CA 3.02Å; A1452-S1456 WeakPolarHBondContact O-CB 3.38Å; A1452-S1456 PolarHBondContact O-N 3.27Å; Q1453-S1456 CarbonylContact O-C 3.59Å; Q1453-S1456 PolarHBondContact O-N 2.77Å; S1456-L1460 WeakPolarHBondContact O-CA 3.47Å; S1456-L1460 WeakPolarHBondContact O-CB 3.4Å; S1456-L1460 PolarHBondContact O-N 2.58Å
1457E62.5Low64.3Low107 Ų10797.9 Ų97.950%0.550%0.499SS..Hα-helixtrans-72-41.5174.3-81.6178.8-162.900111Q1453 S1454 L1460 L1461Q1453-E1457 HydrophobicContact CG-CG 4.34Å; Q1453-E1457 WeakPolarHBondContact CG-OE1 3.3Å; Q1453-E1457 PolarHBondContact NE2-OE1 2.72Å; Q1453-E1457 VanDerWaalsContact O-CB 3.32Å; Q1453-E1457 WeakPolarHBondContact O-CB 3.3Å; Q1453-E1457 WeakPolarHBondContact O-CG 3.37Å; Q1453-E1457 PolarHBondContact O-N 2.77Å; S1454-E1457 PolarHBondContact O-N 2.87Å; E1457-L1460 PolarHBondContact O-N 3.4Å; E1457-L1461 PolarHBondContact O-N 3.4Å
1458L65.6Low64.8Low104 Ų10495.2 Ų95.255%0.54549%0.493SS..Hα-helixtrans-63-49.9170.3-73.5169.9000111.3S1454 L1460 L1461 D1462S1454-L1458 WeakPolarHBondContact O-CG 3.02Å; S1454-L1458 PolarHBondContact O-N 2.71Å; L1458-L1460 VanDerWaalsContact C-N 3.27Å; L1458-L1460 PolarHBondContact O-N 2.83Å; L1458-L1461 WeakPolarHBondContact O-CB 3.33Å; L1458-L1461 PolarHBondContact O-N 2.66Å; L1458-L1461 VanDerWaalsContact O-N 3.11Å; L1458-D1462 PolarHBondContact O-N 3.3Å
1459A61.4Low64.9Low51 Ų5189 Ų8942%0.42147%0.472SS..Hα-helixtrans-64.1-30.7176.700000112.6D1455 A1463D1455-A1459 WeakPolarHBondContact O-CB 3.43Å; D1455-A1459 PolarHBondContact O-N 2.85Å; A1459-A1463 WeakPolarHBondContact O-CA 3.29Å; A1459-A1463 WeakPolarHBondContact O-CB 3.26Å; A1459-A1463 PolarHBondContact O-N 2.85Å
1460L67.7Low65.1Low81 Ų8186.7 Ų86.742%0.42447%0.469SS..Hα-helixtrans-70.9-34.5173.6179.366.2000111.7S1456 E1457 L1458 K1464S1456-L1460 WeakPolarHBondContact O-CA 3.47Å; S1456-L1460 WeakPolarHBondContact O-CB 3.4Å; S1456-L1460 PolarHBondContact O-N 2.58Å; E1457-L1460 PolarHBondContact O-N 3.4Å; L1458-L1460 VanDerWaalsContact C-N 3.27Å; L1458-L1460 PolarHBondContact O-N 2.83Å; L1460-K1464 HydrophobicContact CD1-CD 4.3Å; L1460-K1464 HydrophobicContact CD1-CG 4.23Å; L1460-K1464 HydrophobicContact CG-CD 4.11Å; L1460-K1464 HydrophobicContact CG-CG 4.45Å; L1460-K1464 WeakPolarHBondContact O-CB 3.3Å; L1460-K1464 WeakPolarHBondContact O-CG 3.49Å; L1460-K1464 PolarHBondContact O-N 2.8Å
1461L69.2Low65.4Low119 Ų11981 Ų8162%0.62345%0.453SS*.Hα-helixtrans-63.4-54.1172.5-100.5158.4000110.7E1457 L1458 A1463 K1464 E1465E1457-L1461 PolarHBondContact O-N 3.4Å; L1458-L1461 WeakPolarHBondContact O-CB 3.33Å; L1458-L1461 PolarHBondContact O-N 2.66Å; L1458-L1461 VanDerWaalsContact O-N 3.11Å; L1461-A1463 PolarHBondContact O-N 3.43Å; L1461-K1464 PolarHBondContact O-N 2.71Å; L1461-E1465 PolarHBondContact O-N 2.86Å
1462D62.9Low65.7Low71 Ų7182.4 Ų82.438%0.3845%0.453SS..Hα-helixtrans-61.9-42.8177.7-74.2-18.2000111.8L1458 K1464 E1465 A1466L1458-D1462 PolarHBondContact O-N 3.3Å; D1462-K1464 PolarHBondContact O-N 2.97Å; D1462-E1465 PolarHBondContact O-N 2.93Å; D1462-A1466 WeakPolarHBondContact O-CB 3.46Å; D1462-A1466 PolarHBondContact O-N 2.98Å
1463A61.8Low66Low44 Ų4482.2 Ų82.236%0.36445%0.446SS..Hα-helixtrans-67.7-32.5176.800000112.7A1459 L1461 Y1467A1459-A1463 WeakPolarHBondContact O-CA 3.29Å; A1459-A1463 WeakPolarHBondContact O-CB 3.26Å; A1459-A1463 PolarHBondContact O-N 2.85Å; L1461-A1463 PolarHBondContact O-N 3.43Å; A1463-Y1467 WeakPolarHBondContact O-CB 3.32Å; A1463-Y1467 PolarHBondContact O-N 2.91Å
1464K69.5Low66.4Low132 Ų13279.6 Ų79.657%0.57444%0.443SS*.Hα-helixtrans-68.3-40.2172.6-84.1172.3177.4171.50111.6L1460 L1461 D1462 G1468L1460-K1464 HydrophobicContact CD1-CD 4.3Å; L1460-K1464 HydrophobicContact CD1-CG 4.23Å; L1460-K1464 HydrophobicContact CG-CD 4.11Å; L1460-K1464 HydrophobicContact CG-CG 4.45Å; L1460-K1464 WeakPolarHBondContact O-CB 3.3Å; L1460-K1464 WeakPolarHBondContact O-CG 3.49Å; L1460-K1464 PolarHBondContact O-N 2.8Å; L1461-K1464 PolarHBondContact O-N 2.71Å; D1462-K1464 PolarHBondContact O-N 2.97Å; K1464-G1468 PolarHBondContact O-N 2.65Å
1465E68.1Low66.7Low106 Ų10682.1 Ų82.150%0.49545%0.448SS..Hα-helixtrans-65.9-45.9175.6-169.6-179.2-174.500111.3L1461 D1462 G1468 T1469L1461-E1465 PolarHBondContact O-N 2.86Å; D1462-E1465 PolarHBondContact O-N 2.93Å; E1465-G1468 PolarHBondContact O-N 2.88Å; E1465-T1469 PolarHBondContact O-N 2.69Å; E1465-T1469 VanDerWaalsContact O-N 3.09Å; E1465-T1469 PolarHBondContact O-OG1 3.14Å; E1465-T1469 VanDerWaalsContact O-OG1 3.06Å
1466A62.8Low67Low28 Ų2880.7 Ų80.723%0.23144%0.443CS..Hα-helixtrans-62.2-45.5174.900000112D1462 T1469 A1470D1462-A1466 WeakPolarHBondContact O-CB 3.46Å; D1462-A1466 PolarHBondContact O-N 2.98Å; A1466-T1469 PolarHBondContact O-N 2.86Å; A1466-A1470 WeakPolarHBondContact O-CB 3.45Å; A1466-A1470 PolarHBondContact O-N 3.33Å
1467Y69.3Low67.6Low162 Ų16279.9 Ų79.964%0.63544%0.441SS*.Hα-helixtrans-64.1-45.1176.6177-101.6000111.9A1463 T1469 A1470 V1471A1463-Y1467 WeakPolarHBondContact O-CB 3.32Å; A1463-Y1467 PolarHBondContact O-N 2.91Å; Y1467-T1469 PolarHBondContact O-N 2.84Å; Y1467-A1470 PolarHBondContact O-N 2.93Å; Y1467-A1470 VanDerWaalsContact O-N 3.17Å; Y1467-V1471 HydrophobicContact CD1-CG2 4Å; Y1467-V1471 HydrophobicContact CD2-CG2 3.94Å; Y1467-V1471 HydrophobicContact CE1-CG2 3.6Å; Y1467-V1471 HydrophobicContact CE2-CG2 3.52Å; Y1467-V1471 HydrophobicContact CG-CG2 4.17Å; Y1467-V1471 WeakPolarHBondContact O-CB 3.18Å; Y1467-V1471 WeakPolarHBondContact O-CG2 3.12Å; Y1467-V1471 PolarHBondContact O-N 3.47Å
1468G73.2Confident67.9Low31 Ų3179.3 Ų79.332%0.3244%0.441SS..Hα-helixtrans-60.9-27.4176.100000113K1464 E1465 R1472K1464-G1468 PolarHBondContact O-N 2.65Å; E1465-G1468 PolarHBondContact O-N 2.88Å; G1468-R1472 WeakPolarHBondContact O-CG 3.05Å; G1468-R1472 PolarHBondContact O-NE 2.88Å
1469T68.8Low68.1Low32 Ų3278.8 Ų78.820%0.19644%0.439CS..Hα-helixtrans-81.2-45.6172.1-58.50000111.8E1465 A1466 Y1467 V1471 R1472 V1473E1465-T1469 PolarHBondContact O-N 2.69Å; E1465-T1469 VanDerWaalsContact O-N 3.09Å; E1465-T1469 PolarHBondContact O-OG1 3.14Å; E1465-T1469 VanDerWaalsContact O-OG1 3.06Å; A1466-T1469 PolarHBondContact O-N 2.86Å; Y1467-T1469 PolarHBondContact O-N 2.84Å; T1469-V1471 PolarHBondContact O-N 3.46Å; T1469-R1472 PolarHBondContact O-N 3.26Å; T1469-R1472 PolarHBondContact OG1-NH2 3.21Å; T1469-V1473 WeakPolarHBondContact O-CG2 3.41Å; T1469-V1473 PolarHBondContact O-N 3.37Å; T1469-V1473 VanDerWaalsContact O-N 3.08Å
1470A64.1Low68.5Low56 Ų5679.3 Ų79.346%0.46344%0.437SS..Hα-helixtrans-62-38.9177.900000113.1A1466 Y1467 V1473 A1474A1466-A1470 WeakPolarHBondContact O-CB 3.45Å; A1466-A1470 PolarHBondContact O-N 3.33Å; Y1467-A1470 PolarHBondContact O-N 2.93Å; Y1467-A1470 VanDerWaalsContact O-N 3.17Å; A1470-V1473 PolarHBondContact O-N 3.49Å; A1470-A1474 WeakPolarHBondContact O-CB 3.41Å; A1470-A1474 PolarHBondContact O-N 3.35Å
1471V73.6Confident68.7Low50 Ų5084 Ų8430%0.30345%0.449SS..Hα-helixtrans-63.9-46.1175.5170.20000111Y1467 T1469 V1473 A1474 Q1475Y1467-V1471 HydrophobicContact CD1-CG2 4Å; Y1467-V1471 HydrophobicContact CD2-CG2 3.94Å; Y1467-V1471 HydrophobicContact CE1-CG2 3.6Å; Y1467-V1471 HydrophobicContact CE2-CG2 3.52Å; Y1467-V1471 HydrophobicContact CG-CG2 4.17Å; Y1467-V1471 WeakPolarHBondContact O-CB 3.18Å; Y1467-V1471 WeakPolarHBondContact O-CG2 3.12Å; Y1467-V1471 PolarHBondContact O-N 3.47Å; T1469-V1471 PolarHBondContact O-N 3.46Å; V1471-V1473 VanDerWaalsContact C-N 3.33Å; V1471-V1473 PolarHBondContact O-N 2.68Å; V1471-A1474 PolarHBondContact O-N 2.78Å; V1471-Q1475 VanDerWaalsContact O-CB 3.25Å; V1471-Q1475 WeakPolarHBondContact O-CB 3.08Å; V1471-Q1475 PolarHBondContact O-N 2.84Å
1472R71.8Confident68.8Low156 Ų15682.2 Ų82.259%0.58945%0.447SS*.Hα-helixtrans-58.4-45.4176.8-73.3-179.8-66.4155.91.7111.4G1468 T1469 Q1475 V1476G1468-R1472 WeakPolarHBondContact O-CG 3.05Å; G1468-R1472 PolarHBondContact O-NE 2.88Å; T1469-R1472 PolarHBondContact O-N 3.26Å; T1469-R1472 PolarHBondContact OG1-NH2 3.21Å; R1472-Q1475 PolarHBondContact O-N 3.3Å; R1472-V1476 WeakPolarHBondContact O-CG2 3.13Å; R1472-V1476 PolarHBondContact O-N 2.96Å; R1472-V1476 VanDerWaalsContact O-N 3.16Å
1473V69Low69.2Low49 Ų4983.6 Ų83.630%0.29745%0.453SS..Hα-helixtrans-65.1-45.1176.8174.50000111.5T1469 A1470 V1471 Q1475 V1476 A1477 M1527 I1531T1469-V1473 WeakPolarHBondContact O-CG2 3.41Å; T1469-V1473 PolarHBondContact O-N 3.37Å; T1469-V1473 VanDerWaalsContact O-N 3.08Å; A1470-V1473 PolarHBondContact O-N 3.49Å; V1471-V1473 VanDerWaalsContact C-N 3.33Å; V1471-V1473 PolarHBondContact O-N 2.68Å; V1473-Q1475 VanDerWaalsContact C-N 3.32Å; V1473-Q1475 PolarHBondContact O-N 3.34Å; V1473-V1476 PolarHBondContact O-N 2.92Å; V1473-A1477 WeakPolarHBondContact O-CB 3.45Å; V1473-A1477 PolarHBondContact O-N 3.5Å; V1473-M1527 HydrophobicContact CG2-CG 4.47Å; V1473-M1527 HydrophobicContact CG2-SD 4.06Å; V1473-I1531 HydrophobicContact CG2-CD1 4.26Å
1474A68.3Low69.6Low55 Ų5586.2 Ų86.246%0.45546%0.46SS..Hα-helixtrans-63.6-37.1178.700000112A1470 V1471 A1477 N1478A1470-A1474 WeakPolarHBondContact O-CB 3.41Å; A1470-A1474 PolarHBondContact O-N 3.35Å; V1471-A1474 PolarHBondContact O-N 2.78Å; A1474-A1477 PolarHBondContact O-N 3.27Å; A1474-N1478 WeakPolarHBondContact O-CB 3.46Å; A1474-N1478 PolarHBondContact O-N 3.44Å
1475Q71.6Confident69.8Low115 Ų11582.3 Ų82.354%0.53745%0.453SS..Hα-helixtrans-66.5-49.2178.4-163.9162.72.600110.7V1471 R1472 V1473 A1477 N1478 D1479V1471-Q1475 VanDerWaalsContact O-CB 3.25Å; V1471-Q1475 WeakPolarHBondContact O-CB 3.08Å; V1471-Q1475 PolarHBondContact O-N 2.84Å; R1472-Q1475 PolarHBondContact O-N 3.3Å; V1473-Q1475 VanDerWaalsContact C-N 3.32Å; V1473-Q1475 PolarHBondContact O-N 3.34Å; Q1475-A1477 VanDerWaalsContact C-N 3.3Å; Q1475-A1477 PolarHBondContact O-N 2.97Å; Q1475-N1478 PolarHBondContact O-N 2.99Å; Q1475-D1479 WeakPolarHBondContact O-CB 3.45Å; Q1475-D1479 VanDerWaalsContact O-CG 3.25Å; Q1475-D1479 PolarHBondContact O-N 2.83Å
1476V70.8Confident70.1Confident72 Ų7278.7 Ų78.744%0.43644%0.444SS..Hα-helixtrans-56.4-42.9171.9173.20000111.6R1472 V1473 T1480 L1519R1472-V1476 WeakPolarHBondContact O-CG2 3.13Å; R1472-V1476 PolarHBondContact O-N 2.96Å; R1472-V1476 VanDerWaalsContact O-N 3.16Å; V1473-V1476 PolarHBondContact O-N 2.92Å; V1476-T1480 WeakPolarHBondContact O-CB 3.36Å; V1476-T1480 PolarHBondContact O-N 2.84Å; V1476-T1480 PolarHBondContact O-OG1 3.49Å; V1476-L1519 HydrophobicContact CG1-CD1 4.38Å
1477A67.1Low70.5Confident57 Ų5779.2 Ų79.247%0.47144%0.443SS..Hα-helixtrans-67.9-38.8178.100000113.1V1473 A1474 Q1475 R1481V1473-A1477 WeakPolarHBondContact O-CB 3.45Å; V1473-A1477 PolarHBondContact O-N 3.5Å; A1474-A1477 PolarHBondContact O-N 3.27Å; Q1475-A1477 VanDerWaalsContact C-N 3.3Å; Q1475-A1477 PolarHBondContact O-N 2.97Å; A1477-R1481 VanDerWaalsContact O-CB 3.27Å; A1477-R1481 WeakPolarHBondContact O-CB 3.31Å; A1477-R1481 PolarHBondContact O-N 3.37Å
1478N68.5Low70.7Confident95 Ų9576.7 Ų76.751%0.50844%0.44SS..Hα-helixtrans-71.7-39.7178.8-122.40.6000111.8A1474 Q1475 R1481 S1482A1474-N1478 WeakPolarHBondContact O-CB 3.46Å; A1474-N1478 PolarHBondContact O-N 3.44Å; Q1475-N1478 PolarHBondContact O-N 2.99Å; N1478-R1481 PolarHBondContact O-N 3.36Å; N1478-S1482 VanDerWaalsContact O-CB 3.27Å; N1478-S1482 WeakPolarHBondContact O-CB 3.44Å; N1478-S1482 PolarHBondContact O-N 3.33Å
1479D71.3Confident70.7Confident92 Ų9280.5 Ų80.549%0.49245%0.449SS..Hα-helixtrans-62.4-46.3175-68.5-20.4000109.8Q1475 R1481 S1482 I1483Q1475-D1479 WeakPolarHBondContact O-CB 3.45Å; Q1475-D1479 VanDerWaalsContact O-CG 3.25Å; Q1475-D1479 PolarHBondContact O-N 2.83Å; D1479-R1481 PolarHBondContact O-N 3.44Å; D1479-S1482 WeakPolarHBondContact O-CB 3.21Å; D1479-S1482 PolarHBondContact O-N 3.18Å; D1479-I1483 WeakPolarHBondContact O-CD1 3.37Å; D1479-I1483 VanDerWaalsContact O-CG1 3.29Å; D1479-I1483 WeakPolarHBondContact O-CG1 3.47Å; D1479-I1483 PolarHBondContact O-N 3.17Å
1480T68.9Low70.8Confident63 Ų6384.1 Ų84.139%0.38746%0.459SS..Hα-helixtrans-58.9-45.1173.5-53.40000111.8V1476 I1483 L1484V1476-T1480 WeakPolarHBondContact O-CB 3.36Å; V1476-T1480 PolarHBondContact O-N 2.84Å; V1476-T1480 PolarHBondContact O-OG1 3.49Å; T1480-I1483 PolarHBondContact O-N 3.01Å; T1480-L1484 WeakPolarHBondContact O-CB 3.24Å; T1480-L1484 PolarHBondContact O-N 3.27Å
1481R71.6Confident71.2Confident178 Ų17883 Ų8367%0.67245%0.45SS*.Hα-helixtrans-65.1-38.1177.2-176.5-174.9128.5166.5-2.8112.4A1477 N1478 D1479 L1484 A1485A1477-R1481 VanDerWaalsContact O-CB 3.27Å; A1477-R1481 WeakPolarHBondContact O-CB 3.31Å; A1477-R1481 PolarHBondContact O-N 3.37Å; N1478-R1481 PolarHBondContact O-N 3.36Å; D1479-R1481 PolarHBondContact O-N 3.44Å; R1481-L1484 PolarHBondContact O-N 2.91Å; R1481-A1485 VanDerWaalsContact O-CB 3.3Å; R1481-A1485 WeakPolarHBondContact O-CB 3.45Å; R1481-A1485 PolarHBondContact O-N 2.7Å
1482S71.3Confident71.2Confident83 Ų8384.1 Ų84.158%0.5845%0.454SS*.Hα-helixtrans-64.2-45.3178-173.80000110.8N1478 D1479 L1484 A1485 G1486N1478-S1482 VanDerWaalsContact O-CB 3.27Å; N1478-S1482 WeakPolarHBondContact O-CB 3.44Å; N1478-S1482 PolarHBondContact O-N 3.33Å; D1479-S1482 WeakPolarHBondContact O-CB 3.21Å; D1479-S1482 PolarHBondContact O-N 3.18Å; S1482-L1484 PolarHBondContact O-N 3.41Å; S1482-A1485 PolarHBondContact O-N 3.15Å; S1482-G1486 PolarHBondContact O-N 3.25Å
1483I71.4Confident71.1Confident100 Ų10082.8 Ų82.851%0.51346%0.455SS..Hα-helixtrans-58.7-46.4173.5-67163.4000110.7D1479 T1480 L1487D1479-I1483 WeakPolarHBondContact O-CD1 3.37Å; D1479-I1483 VanDerWaalsContact O-CG1 3.29Å; D1479-I1483 WeakPolarHBondContact O-CG1 3.47Å; D1479-I1483 PolarHBondContact O-N 3.17Å; T1480-I1483 PolarHBondContact O-N 3.01Å; I1483-L1487 WeakPolarHBondContact O-CB 3.45Å; I1483-L1487 PolarHBondContact O-N 2.84Å
1484L70.7Confident71.2Confident98 Ų9883.5 Ų83.551%0.51345%0.454SS..Hα-helixtrans-65.7-43.5179-115150.9000113.2T1480 R1481 S1482 L1487 L1488T1480-L1484 WeakPolarHBondContact O-CB 3.24Å; T1480-L1484 PolarHBondContact O-N 3.27Å; R1481-L1484 PolarHBondContact O-N 2.91Å; S1482-L1484 PolarHBondContact O-N 3.41Å; L1484-L1487 WeakPolarHBondContact O-CB 3.39Å; L1484-L1487 PolarHBondContact O-N 3.39Å; L1484-L1488 WeakPolarHBondContact O-CG 3.25Å; L1484-L1488 PolarHBondContact O-N 2.94Å
1485A73.1Confident71.4Confident50 Ų5087.5 Ų87.541%0.41347%0.467SS..Hα-helixtrans-65-44.1176.700000111.3R1481 S1482 L1487 L1488 E1489R1481-A1485 VanDerWaalsContact O-CB 3.3Å; R1481-A1485 WeakPolarHBondContact O-CB 3.45Å; R1481-A1485 PolarHBondContact O-N 2.7Å; S1482-A1485 PolarHBondContact O-N 3.15Å; A1485-L1487 VanDerWaalsContact C-N 3.26Å; A1485-L1487 PolarHBondContact O-N 2.82Å; A1485-L1488 PolarHBondContact O-N 2.8Å; A1485-E1489 WeakPolarHBondContact O-CB 3.12Å; A1485-E1489 PolarHBondContact O-N 3.2Å
1486G75.8Confident71.3Confident31 Ų3189.5 Ų89.532%0.3247%0.474SS..Hα-helixtrans-66.4-23.9174.800000113.8S1482 R1490S1482-G1486 PolarHBondContact O-N 3.25Å; G1486-R1490 WeakPolarHBondContact O-CB 2.91Å; G1486-R1490 WeakPolarHBondContact O-CG 3.49Å; G1486-R1490 PolarHBondContact O-N 3.17Å; G1486-R1490 PolarHBondContact O-NE 3.45Å
1487L69.9Low70.8Confident39 Ų3988.3 Ų88.320%0.20448%0.477CS..Hα-helixtrans-74.1-47.8169.6-168.9102.2000111.3I1483 L1484 A1485 E1489 R1490 A1491 V1512 M1515I1483-L1487 WeakPolarHBondContact O-CB 3.45Å; I1483-L1487 PolarHBondContact O-N 2.84Å; L1484-L1487 WeakPolarHBondContact O-CB 3.39Å; L1484-L1487 PolarHBondContact O-N 3.39Å; A1485-L1487 VanDerWaalsContact C-N 3.26Å; A1485-L1487 PolarHBondContact O-N 2.82Å; L1487-E1489 VanDerWaalsContact C-N 3.33Å; L1487-E1489 PolarHBondContact O-N 3.18Å; L1487-R1490 PolarHBondContact O-N 3.18Å; L1487-A1491 WeakPolarHBondContact O-CB 3.5Å; L1487-A1491 PolarHBondContact O-N 2.91Å; L1487-V1512 HydrophobicContact CD1-CG2 4.22Å; L1487-V1512 HydrophobicContact CD2-CG2 4.41Å; L1487-M1515 HydrophobicContact CD1-CE 3.78Å; L1487-M1515 HydrophobicContact CD1-SD 3.79Å
1488L73.5Confident70.3Confident109 Ų10995.6 Ų95.657%0.57150%0.501SS*.Hα-helixtrans-59.1-43.3176.8-77166.2000111.7L1484 A1485 A1491 N1492L1484-L1488 WeakPolarHBondContact O-CG 3.25Å; L1484-L1488 PolarHBondContact O-N 2.94Å; A1485-L1488 PolarHBondContact O-N 2.8Å; L1488-A1491 PolarHBondContact O-N 3.3Å; L1488-N1492 WeakPolarHBondContact O-CB 3.05Å; L1488-N1492 PolarHBondContact O-N 3.28Å
1489E74.8Confident69.7Low110 Ų11094.4 Ų94.451%0.51451%0.511SS..Hα-helixtrans-62.6-45.2177.9-159.965.1-150.200111.4A1485 L1487 A1491 N1492 Q1493A1485-E1489 WeakPolarHBondContact O-CB 3.12Å; A1485-E1489 PolarHBondContact O-N 3.2Å; L1487-E1489 VanDerWaalsContact C-N 3.33Å; L1487-E1489 PolarHBondContact O-N 3.18Å; E1489-A1491 PolarHBondContact O-N 2.85Å; E1489-N1492 PolarHBondContact O-N 3.46Å; E1489-Q1493 WeakPolarHBondContact O-CG 2.89Å; E1489-Q1493 PolarHBondContact O-N 2.94Å
1490R70.7Confident69.1Low108 Ų10892.1 Ų92.141%0.40851%0.505SS..Hα-helixtrans-62.2-42.2175.1-78.8-179.7-71.6164.3-4112.2G1486 L1487 Q1493 F1494G1486-R1490 WeakPolarHBondContact O-CB 2.91Å; G1486-R1490 WeakPolarHBondContact O-CG 3.49Å; G1486-R1490 PolarHBondContact O-N 3.17Å; G1486-R1490 PolarHBondContact O-NE 3.45Å; L1487-R1490 PolarHBondContact O-N 3.18Å; R1490-Q1493 PolarHBondContact O-N 2.79Å; R1490-F1494 VanDerWaalsContact O-CB 3.26Å; R1490-F1494 WeakPolarHBondContact O-CB 2.94Å; R1490-F1494 PolarHBondContact O-N 3.08Å
1491A71.8Confident69.2Low32 Ų3291.4 Ų91.426%0.26450%0.503SS..Hα-helixtrans-64.5-39.7174.800000111.9L1487 L1488 E1489 F1494 L1495L1487-A1491 WeakPolarHBondContact O-CB 3.5Å; L1487-A1491 PolarHBondContact O-N 2.91Å; L1488-A1491 PolarHBondContact O-N 3.3Å; E1489-A1491 PolarHBondContact O-N 2.85Å; A1491-F1494 WeakPolarHBondContact O-CB 2.88Å; A1491-F1494 PolarHBondContact O-N 2.88Å; A1491-L1495 WeakPolarHBondContact O-CB 3.29Å; A1491-L1495 WeakPolarHBondContact O-CD1 3.07Å; A1491-L1495 VanDerWaalsContact O-CG 3.24Å; A1491-L1495 WeakPolarHBondContact O-CG 3.46Å; A1491-L1495 PolarHBondContact O-N 3.33Å
1492N73.1Confident69.4Low75 Ų7588.1 Ų88.140%0.40151%0.505SS..Hα-helixtrans-68.8-39.1177.9-129.2-34.2000112.2L1488 E1489 L1495 K1496L1488-N1492 WeakPolarHBondContact O-CB 3.05Å; L1488-N1492 PolarHBondContact O-N 3.28Å; E1489-N1492 PolarHBondContact O-N 3.46Å; N1492-L1495 PolarHBondContact O-N 3.14Å; N1492-K1496 WeakPolarHBondContact O-CB 3Å; N1492-K1496 WeakPolarHBondContact O-CD 3.41Å; N1492-K1496 VanDerWaalsContact O-CG 3.23Å; N1492-K1496 WeakPolarHBondContact O-CG 3.39Å; N1492-K1496 PolarHBondContact O-N 2.77Å; N1492-K1496 WeakPolarHBondContact OD1-CE 3.14Å
1493Q70.6Confident69.5Low128 Ų12889.1 Ų89.160%0.59850%0.5SS*.Hα-helixtrans-64.5-43.2172.3-73.8-179.72.500111.2E1489 R1490 L1495 K1496 G1497E1489-Q1493 WeakPolarHBondContact O-CG 2.89Å; E1489-Q1493 PolarHBondContact O-N 2.94Å; R1490-Q1493 PolarHBondContact O-N 2.79Å; Q1493-L1495 VanDerWaalsContact C-N 3.32Å; Q1493-L1495 PolarHBondContact O-N 3.3Å; Q1493-K1496 PolarHBondContact O-N 3.46Å; Q1493-K1496 VanDerWaalsContact O-N 3.13Å; Q1493-G1497 PolarHBondContact O-N 3.36Å
1494F70.7Confident69.4Low63 Ų6389.2 Ų89.228%0.27650%0.498SS..Hα-helixtrans-60.3-39.7176.4-173.7-106.3000112.9R1490 A1491 K1496 A1500 Q1504 I1505 L1508R1490-F1494 VanDerWaalsContact O-CB 3.26Å; R1490-F1494 WeakPolarHBondContact O-CB 2.94Å; R1490-F1494 PolarHBondContact O-N 3.08Å; A1491-F1494 WeakPolarHBondContact O-CB 2.88Å; A1491-F1494 PolarHBondContact O-N 2.88Å; F1494-K1496 VanDerWaalsContact C-N 3.3Å; F1494-K1496 PolarHBondContact O-N 2.77Å; F1494-A1500 HydrophobicContact CE1-CB 4.12Å; F1494-A1500 HydrophobicContact CE2-CB 3.72Å; F1494-A1500 HydrophobicContact CZ-CB 3.47Å; F1494-A1500 VanDerWaalsContact CZ-CB 3.47Å; F1494-Q1504 HydrophobicContact CE2-CB 3.79Å; F1494-Q1504 HydrophobicContact CZ-CB 4.25Å; F1494-I1505 HydrophobicContact CE1-CG1 3.91Å; F1494-I1505 HydrophobicContact CZ-CB 4.26Å; F1494-I1505 HydrophobicContact CZ-CG1 3.6Å; F1494-L1508 HydrophobicContact CB-CD2 4.01Å; F1494-L1508 HydrophobicContact CD1-CD2 3.4Å; F1494-L1508 HydrophobicContact CD2-CD2 4.3Å; F1494-L1508 HydrophobicContact CE1-CD2 3.86Å; F1494-L1508 HydrophobicContact CG-CD2 3.64Å; F1494-L1508 HydrophobicContact CZ-CD2 4.47Å
1495L71.3Confident69.6Low140 Ų14088.8 Ų88.873%0.73350%0.495SS*.Hα-helixtrans-74.5-12.4176.8-70.6166.8000114.4A1491 N1492 Q1493A1491-L1495 WeakPolarHBondContact O-CB 3.29Å; A1491-L1495 WeakPolarHBondContact O-CD1 3.07Å; A1491-L1495 VanDerWaalsContact O-CG 3.24Å; A1491-L1495 WeakPolarHBondContact O-CG 3.46Å; A1491-L1495 PolarHBondContact O-N 3.33Å; N1492-L1495 PolarHBondContact O-N 3.14Å; Q1493-L1495 VanDerWaalsContact C-N 3.32Å; Q1493-L1495 PolarHBondContact O-N 3.3Å
1496K70.9Confident69.8Low156 Ų15691.4 Ų91.468%0.67850%0.495SS*.Hα-helixtrans-101.9-7.3-177.7-75.6173-175.4175.50114.5N1492 Q1493 F1494N1492-K1496 WeakPolarHBondContact O-CB 3Å; N1492-K1496 WeakPolarHBondContact O-CD 3.41Å; N1492-K1496 VanDerWaalsContact O-CG 3.23Å; N1492-K1496 WeakPolarHBondContact O-CG 3.39Å; N1492-K1496 PolarHBondContact O-N 2.77Å; N1492-K1496 WeakPolarHBondContact OD1-CE 3.14Å; Q1493-K1496 PolarHBondContact O-N 3.46Å; Q1493-K1496 VanDerWaalsContact O-N 3.13Å; F1494-K1496 VanDerWaalsContact C-N 3.3Å; F1494-K1496 PolarHBondContact O-N 2.77Å
1497G60.9Low69.9Low48 Ų4892.8 Ų92.850%0.49550%0.497SS..SBendtrans-83.8138.4178.500000113.2Q1493 G1499Q1493-G1497 PolarHBondContact O-N 3.36Å; G1497-G1499 PolarHBondContact O-N 2.96Å
1498E56.2Low70.1Confident209 Ų20992.7 Ų92.798%0.97750%0.496SS*.SBendtrans-7090.3172.8-69-170.8151.300111.2
1499G56.3Low70.2Confident71 Ų7189.7 Ų89.773%0.73249%0.487SS*.  trans100.481.7168.400000115.3G1497G1497-G1499 PolarHBondContact O-N 2.96Å
1500A57.6Low70.4Confident44 Ų4489.1 Ų89.136%0.36449%0.485SS..  trans-77.5127.7165.900000111.3F1494 I1505F1494-A1500 HydrophobicContact CE1-CB 4.12Å; F1494-A1500 HydrophobicContact CE2-CB 3.72Å; F1494-A1500 HydrophobicContact CZ-CB 3.47Å; F1494-A1500 VanDerWaalsContact CZ-CB 3.47Å; A1500-I1505 HydrophobicContact CB-CG1 4.29Å
1501S72.1Confident70.4Confident48 Ų4888.4 Ų88.434%0.33649%0.486SS..  trans-73.7152.5172.566.30000111.7E1503 Q1504 I1505S1501-E1503 PolarHBondContact O-N 3.17Å; S1501-E1503 VanDerWaalsContact O-N 3.09Å; S1501-Q1504 PolarHBondContact O-N 3.13Å; S1501-Q1504 VanDerWaalsContact OG-CD 3.28Å; S1501-Q1504 VanDerWaalsContact OG-CG 3.32Å; S1501-Q1504 WeakPolarHBondContact OG-CG 3.04Å; S1501-Q1504 PolarHBondContact OG-N 3.48Å; S1501-Q1504 PolarHBondContact OG-OE1 3.25Å; S1501-I1505 PolarHBondContact O-N 3.25Å; S1501-I1505 VanDerWaalsContact O-N 3.1Å
1502P74.3Confident70.3Confident109 Ų10990.2 Ų90.271%0.70849%0.494SS*.Hα-helixtrans-53.8-31.5176.8-2835.7000113.9I1505 R1506P1502-I1505 PolarHBondContact O-N 2.94Å; P1502-R1506 WeakPolarHBondContact O-CB 3.01Å; P1502-R1506 PolarHBondContact O-N 3.42Å
1503E74Confident70.3Confident103 Ų10393.7 Ų93.748%0.48151%0.512SS..Hα-helixtrans-72.1-37.7178.6-172.164.7176.100112.3S1501 I1505 R1506 V1507S1501-E1503 PolarHBondContact O-N 3.17Å; S1501-E1503 VanDerWaalsContact O-N 3.09Å; E1503-I1505 VanDerWaalsContact C-N 3.32Å; E1503-R1506 PolarHBondContact O-N 2.92Å; E1503-R1506 IonicContact OE1-CZ 2.65Å; E1503-R1506 IonicContact OE1-NE 3.63Å; E1503-R1506 IonicContact OE1-NH2 3.55Å; E1503-R1506 PolarHBondContact OE1-NH2 3.31Å; E1503-R1506 IonicContact OE2-CZ 3.78Å; E1503-R1506 IonicContact OE2-NE 2.84Å; E1503-R1506 PolarHBondContact OE2-NE 3.2Å; E1503-R1506 IonicContact OE2-NH2 2.85Å; E1503-V1507 WeakPolarHBondContact O-CG2 2.93Å; E1503-V1507 PolarHBondContact O-N 3.49Å
1504Q69.7Low70.3Confident103 Ų10390.6 Ų90.648%0.48151%0.513SS..Hα-helixtrans-69.2-32.5173.3-64.4160.8-58.100111.6F1494 S1501 L1508F1494-Q1504 HydrophobicContact CE2-CB 3.79Å; F1494-Q1504 HydrophobicContact CZ-CB 4.25Å; S1501-Q1504 PolarHBondContact O-N 3.13Å; S1501-Q1504 VanDerWaalsContact OG-CD 3.28Å; S1501-Q1504 VanDerWaalsContact OG-CG 3.32Å; S1501-Q1504 WeakPolarHBondContact OG-CG 3.04Å; S1501-Q1504 PolarHBondContact OG-N 3.48Å; S1501-Q1504 PolarHBondContact OG-OE1 3.25Å; Q1504-L1508 WeakPolarHBondContact O-CB 3.35Å; Q1504-L1508 PolarHBondContact O-N 3.46Å; Q1504-L1508 VanDerWaalsContact O-N 3.13Å
1505I74.3Confident69.9Low88 Ų8892.1 Ų92.145%0.45152%0.523SS..Hα-helixtrans-64.1-46171.1-59.9171.7000110F1494 A1500 S1501 P1502 E1503 L1508 A1509F1494-I1505 HydrophobicContact CE1-CG1 3.91Å; F1494-I1505 HydrophobicContact CZ-CB 4.26Å; F1494-I1505 HydrophobicContact CZ-CG1 3.6Å; A1500-I1505 HydrophobicContact CB-CG1 4.29Å; S1501-I1505 PolarHBondContact O-N 3.25Å; S1501-I1505 VanDerWaalsContact O-N 3.1Å; P1502-I1505 PolarHBondContact O-N 2.94Å; E1503-I1505 VanDerWaalsContact C-N 3.32Å; I1505-L1508 PolarHBondContact O-N 3.11Å; I1505-A1509 WeakPolarHBondContact O-CB 3.34Å; I1505-A1509 PolarHBondContact O-N 2.73Å
1506R78.2Confident69.2Low105 Ų10591.8 Ų91.840%0.39653%0.527SS..Hα-helixtrans-60-48.3178.5-171.3-178.672.680.22.7111.9P1502 E1503 L1508 A1509 E1510P1502-R1506 WeakPolarHBondContact O-CB 3.01Å; P1502-R1506 PolarHBondContact O-N 3.42Å; E1503-R1506 PolarHBondContact O-N 2.92Å; E1503-R1506 IonicContact OE1-CZ 2.65Å; E1503-R1506 IonicContact OE1-NE 3.63Å; E1503-R1506 IonicContact OE1-NH2 3.55Å; E1503-R1506 PolarHBondContact OE1-NH2 3.31Å; E1503-R1506 IonicContact OE2-CZ 3.78Å; E1503-R1506 IonicContact OE2-NE 2.84Å; E1503-R1506 PolarHBondContact OE2-NE 3.2Å; E1503-R1506 IonicContact OE2-NH2 2.85Å; R1506-L1508 VanDerWaalsContact C-N 3.34Å; R1506-L1508 PolarHBondContact O-N 2.94Å; R1506-A1509 PolarHBondContact O-N 3.47Å; R1506-E1510 WeakPolarHBondContact CG-OE1 3.47Å; R1506-E1510 IonicContact CZ-OE1 3.87Å; R1506-E1510 IonicContact CZ-OE2 3.71Å; R1506-E1510 IonicContact NH1-OE1 3.45Å; R1506-E1510 PolarHBondContact NH1-OE1 3.37Å; R1506-E1510 IonicContact NH1-OE2 3.53Å; R1506-E1510 PolarHBondContact NH1-OE2 3.03Å; R1506-E1510 WeakPolarHBondContact O-CB 3.42Å; R1506-E1510 WeakPolarHBondContact O-CG 3.15Å; R1506-E1510 PolarHBondContact O-N 3.24Å
1507V78.1Confident68.7Low60 Ų6091.8 Ų91.836%0.36453%0.533SS..Hα-helixtrans-60.8-41.4178.2170.30000111.6E1503 Q1511E1503-V1507 WeakPolarHBondContact O-CG2 2.93Å; E1503-V1507 PolarHBondContact O-N 3.49Å; V1507-Q1511 WeakPolarHBondContact O-CB 3.37Å; V1507-Q1511 VanDerWaalsContact O-CG 3.31Å; V1507-Q1511 WeakPolarHBondContact O-CG 2.85Å; V1507-Q1511 PolarHBondContact O-N 2.03Å
1508L74Confident68.6Low37 Ų3794 Ų9419%0.19454%0.541CS..Hα-helixtrans-67.3-41.2176.7-172.565.5000111.7F1494 Q1504 I1505 R1506 Q1511 V1512F1494-L1508 HydrophobicContact CB-CD2 4.01Å; F1494-L1508 HydrophobicContact CD1-CD2 3.4Å; F1494-L1508 HydrophobicContact CD2-CD2 4.3Å; F1494-L1508 HydrophobicContact CE1-CD2 3.86Å; F1494-L1508 HydrophobicContact CG-CD2 3.64Å; F1494-L1508 HydrophobicContact CZ-CD2 4.47Å; Q1504-L1508 WeakPolarHBondContact O-CB 3.35Å; Q1504-L1508 PolarHBondContact O-N 3.46Å; Q1504-L1508 VanDerWaalsContact O-N 3.13Å; I1505-L1508 PolarHBondContact O-N 3.11Å; R1506-L1508 VanDerWaalsContact C-N 3.34Å; R1506-L1508 PolarHBondContact O-N 2.94Å; L1508-Q1511 PolarHBondContact O-N 3.38Å; L1508-V1512 WeakPolarHBondContact O-CG2 3.19Å; L1508-V1512 PolarHBondContact O-N 3.37Å
1509A75.4Confident69Low46 Ų4686.8 Ų86.838%0.3851%0.508SS..Hα-helixtrans-63.9-42176.500000112.3I1505 R1506 V1512 L1513I1505-A1509 WeakPolarHBondContact O-CB 3.34Å; I1505-A1509 PolarHBondContact O-N 2.73Å; R1506-A1509 PolarHBondContact O-N 3.47Å; A1509-V1512 PolarHBondContact O-N 2.78Å; A1509-L1513 WeakPolarHBondContact O-CB 2.94Å; A1509-L1513 VanDerWaalsContact O-CG 3.3Å; A1509-L1513 WeakPolarHBondContact O-CG 3.08Å; A1509-L1513 PolarHBondContact O-N 2.93Å
1510E79.3Confident69.7Low99 Ų9986.8 Ų86.846%0.46349%0.492SS..Hα-helixtrans-65.7-38.2175.5-75.4171.4-173.100112R1506 V1512 L1513 G1514R1506-E1510 WeakPolarHBondContact CG-OE1 3.47Å; R1506-E1510 IonicContact CZ-OE1 3.87Å; R1506-E1510 IonicContact CZ-OE2 3.71Å; R1506-E1510 IonicContact NH1-OE1 3.45Å; R1506-E1510 PolarHBondContact NH1-OE1 3.37Å; R1506-E1510 IonicContact NH1-OE2 3.53Å; R1506-E1510 PolarHBondContact NH1-OE2 3.03Å; R1506-E1510 WeakPolarHBondContact O-CB 3.42Å; R1506-E1510 WeakPolarHBondContact O-CG 3.15Å; R1506-E1510 PolarHBondContact O-N 3.24Å; E1510-V1512 VanDerWaalsContact C-N 3.34Å; E1510-V1512 PolarHBondContact O-N 2.77Å; E1510-L1513 PolarHBondContact O-N 3.08Å; E1510-G1514 PolarHBondContact O-N 2.03Å
1511Q70Confident70.4Confident92 Ų9290.6 Ų90.643%0.4350%0.5SS..Hα-helixtrans-65.7-33.2173.3-75.718013.500113.3V1507 L1508V1507-Q1511 WeakPolarHBondContact O-CB 3.37Å; V1507-Q1511 VanDerWaalsContact O-CG 3.31Å; V1507-Q1511 WeakPolarHBondContact O-CG 2.85Å; V1507-Q1511 PolarHBondContact O-N 2.03Å; L1508-Q1511 PolarHBondContact O-N 3.38Å
1512V68.5Low70.5Confident71 Ų7194.4 Ų94.443%0.4351%0.512SS..Hα-helixtrans-73.8-43.1175170.60000111.2L1487 L1508 A1509 E1510 G1514 M1515L1487-V1512 HydrophobicContact CD1-CG2 4.22Å; L1487-V1512 HydrophobicContact CD2-CG2 4.41Å; L1508-V1512 WeakPolarHBondContact O-CG2 3.19Å; L1508-V1512 PolarHBondContact O-N 3.37Å; A1509-V1512 PolarHBondContact O-N 2.78Å; E1510-V1512 VanDerWaalsContact C-N 3.34Å; E1510-V1512 PolarHBondContact O-N 2.77Å; V1512-G1514 VanDerWaalsContact C-N 3.29Å; V1512-G1514 PolarHBondContact O-N 3.37Å; V1512-M1515 PolarHBondContact O-N 3.36Å
1513L73Confident70.3Confident148 Ų14893.2 Ų93.278%0.77550%0.497SS*.Hα-helixtrans-70.1-23.2179.9-71168.5000113.4A1509 E1510 M1515A1509-L1513 WeakPolarHBondContact O-CB 2.94Å; A1509-L1513 VanDerWaalsContact O-CG 3.3Å; A1509-L1513 WeakPolarHBondContact O-CG 3.08Å; A1509-L1513 PolarHBondContact O-N 2.93Å; E1510-L1513 PolarHBondContact O-N 3.08Å; L1513-M1515 VanDerWaalsContact C-N 3.32Å; L1513-M1515 PolarHBondContact O-N 2.99Å
1514G70.7Confident69.9Low62 Ų6292.8 Ų92.864%0.63950%0.497SS*.THydrogen-bonded Turntrans-80.40.6177.400000115.8E1510 V1512E1510-G1514 PolarHBondContact O-N 2.03Å; V1512-G1514 VanDerWaalsContact C-N 3.29Å; V1512-G1514 PolarHBondContact O-N 3.37Å
1515M62.7Low70.1Confident95 Ų9592.1 Ų92.147%0.46849%0.494SS..PPolyproline II helixtrans-95.6117-178-70.7-169.8175.800112.8L1487 V1512 L1513L1487-M1515 HydrophobicContact CD1-CE 3.78Å; L1487-M1515 HydrophobicContact CD1-SD 3.79Å; V1512-M1515 PolarHBondContact O-N 3.36Å; L1513-M1515 VanDerWaalsContact C-N 3.32Å; L1513-M1515 PolarHBondContact O-N 2.99Å
1516T58Low70.1Confident134 Ų13490.5 Ų90.582%0.82249%0.494SS*.PPolyproline II helixtrans-103.6133.6174.450.30000111.7
1517I58.8Low69.4Low156 Ų15688.8 Ų88.880%0.849%0.491SS*.PPolyproline II helixtrans-70.4134.2171.9-61.1173.2000108.8L1519I1517-L1519 PolarHBondContact O-N 3.48Å
1518S60.2Low69Low95 Ų9588.9 Ų88.966%0.66450%0.498SS*.SBendtrans-89.34.8-166.858.80000116.1
1519L63.8Low69Low57 Ų5792 Ų9230%0.29851%0.514SS..  trans-132.3132.3178.6-67.9171000109.1V1476 I1517 Q1523 I1524 M1527V1476-L1519 HydrophobicContact CG1-CD1 4.38Å; I1517-L1519 PolarHBondContact O-N 3.48Å; L1519-Q1523 HydrophobicContact CD2-CB 4.38Å; L1519-I1524 HydrophobicContact CB-CD1 4.36Å; L1519-I1524 HydrophobicContact CB-CG1 4.11Å; L1519-M1527 HydrophobicContact CD1-CE 3.97Å; L1519-M1527 HydrophobicContact CD2-CE 4.05Å
1520D71.3Confident68.8Low71 Ų7194.5 Ų94.538%0.3852%0.521SS..  trans-85.6175.8174.962.744.4000112.3E1522 Q1523 I1524D1520-E1522 PolarHBondContact OD1-N 2.68Å; D1520-Q1523 VanDerWaalsContact CG-CD 3.49Å; D1520-Q1523 PolarHBondContact O-N 3.25Å; D1520-Q1523 VanDerWaalsContact OD1-CB 3.25Å; D1520-Q1523 WeakPolarHBondContact OD1-CB 3.33Å; D1520-Q1523 WeakPolarHBondContact OD1-CG 3.16Å; D1520-Q1523 PolarHBondContact OD1-N 3.04Å; D1520-Q1523 VanDerWaalsContact OD2-CD 3.25Å; D1520-Q1523 PolarHBondContact OD2-NE2 2.02Å; D1520-I1524 WeakPolarHBondContact O-CD1 3.35Å; D1520-I1524 VanDerWaalsContact O-CG1 3.26Å; D1520-I1524 WeakPolarHBondContact O-CG1 3.1Å; D1520-I1524 PolarHBondContact O-N 3.28Å
1521K72.6Confident67.9Low123 Ų12392.8 Ų92.854%0.53551%0.514SS..Hα-helixtrans-66.4-44.3-174.7179.8-179175.5-77.80111.2Q1523 I1524 E1525K1521-Q1523 VanDerWaalsContact C-N 3.34Å; K1521-Q1523 PolarHBondContact O-N 3.33Å; K1521-I1524 PolarHBondContact O-N 2.84Å; K1521-E1525 VanDerWaalsContact CE-OE1 3.29Å; K1521-E1525 WeakPolarHBondContact CE-OE1 3.39Å; K1521-E1525 IonicContact NZ-OE1 2.8Å; K1521-E1525 PolarHBondContact NZ-OE1 2.88Å; K1521-E1525 IonicContact NZ-OE2 3.74Å; K1521-E1525 PolarHBondContact NZ-OE2 3.07Å; K1521-E1525 WeakPolarHBondContact O-CG 3.15Å; K1521-E1525 PolarHBondContact O-N 2.04Å
1522E72.9Confident67.8Low128 Ų12889.7 Ų89.760%0.59851%0.507SS*.Hα-helixtrans-62.3-40.9179.4-68.876.1-172.500111.3D1520 E1525 A1526D1520-E1522 PolarHBondContact OD1-N 2.68Å; E1522-E1525 PolarHBondContact O-N 2.88Å; E1522-A1526 VanDerWaalsContact O-CB 3.3Å; E1522-A1526 WeakPolarHBondContact O-CB 3.37Å; E1522-A1526 PolarHBondContact O-N 2.82Å
1523Q70.4Confident67.8Low84 Ų8490 Ų9039%0.39351%0.507SS..Hα-helixtrans-65-40.6174.1-72.9166.713.100112.1L1519 D1520 K1521 M1527L1519-Q1523 HydrophobicContact CD2-CB 4.38Å; D1520-Q1523 VanDerWaalsContact CG-CD 3.49Å; D1520-Q1523 PolarHBondContact O-N 3.25Å; D1520-Q1523 VanDerWaalsContact OD1-CB 3.25Å; D1520-Q1523 WeakPolarHBondContact OD1-CB 3.33Å; D1520-Q1523 WeakPolarHBondContact OD1-CG 3.16Å; D1520-Q1523 PolarHBondContact OD1-N 3.04Å; D1520-Q1523 VanDerWaalsContact OD2-CD 3.25Å; D1520-Q1523 PolarHBondContact OD2-NE2 2.02Å; K1521-Q1523 VanDerWaalsContact C-N 3.34Å; K1521-Q1523 PolarHBondContact O-N 3.33Å; Q1523-M1527 VanDerWaalsContact O-CB 3.31Å; Q1523-M1527 WeakPolarHBondContact O-CB 3.28Å; Q1523-M1527 PolarHBondContact O-N 3.31Å
1524I66Low67.2Low94 Ų9485 Ų8548%0.48248%0.48SS..Hα-helixtrans-65.8-42.1175.4-68.4164.5000111L1519 D1520 K1521 M1527 A1528L1519-I1524 HydrophobicContact CB-CD1 4.36Å; L1519-I1524 HydrophobicContact CB-CG1 4.11Å; D1520-I1524 WeakPolarHBondContact O-CD1 3.35Å; D1520-I1524 VanDerWaalsContact O-CG1 3.26Å; D1520-I1524 WeakPolarHBondContact O-CG1 3.1Å; D1520-I1524 PolarHBondContact O-N 3.28Å; K1521-I1524 PolarHBondContact O-N 2.84Å; I1524-M1527 PolarHBondContact O-N 3.24Å; I1524-A1528 WeakPolarHBondContact O-CB 3.26Å; I1524-A1528 PolarHBondContact O-N 3.24Å
1525E73.2Confident66.7Low90 Ų9086 Ų8642%0.42147%0.471SS..Hα-helixtrans-67-42.3176.9-75176.5158.400111.9K1521 E1522 A1528 I1529K1521-E1525 VanDerWaalsContact CE-OE1 3.29Å; K1521-E1525 WeakPolarHBondContact CE-OE1 3.39Å; K1521-E1525 IonicContact NZ-OE1 2.8Å; K1521-E1525 PolarHBondContact NZ-OE1 2.88Å; K1521-E1525 IonicContact NZ-OE2 3.74Å; K1521-E1525 PolarHBondContact NZ-OE2 3.07Å; K1521-E1525 WeakPolarHBondContact O-CG 3.15Å; K1521-E1525 PolarHBondContact O-N 2.04Å; E1522-E1525 PolarHBondContact O-N 2.88Å; E1525-A1528 PolarHBondContact O-N 2.8Å; E1525-I1529 VanDerWaalsContact O-CG1 3.32Å; E1525-I1529 WeakPolarHBondContact O-CG1 3.42Å; E1525-I1529 PolarHBondContact O-N 3.1Å
1526A74.1Confident66.7Low53 Ų5391.5 Ų91.544%0.43849%0.486SS..Hα-helixtrans-62.2-44.3174.600000112E1522 A1528 I1529 D1530E1522-A1526 VanDerWaalsContact O-CB 3.3Å; E1522-A1526 WeakPolarHBondContact O-CB 3.37Å; E1522-A1526 PolarHBondContact O-N 2.82Å; A1526-A1528 VanDerWaalsContact C-N 3.31Å; A1526-A1528 PolarHBondContact O-N 3.04Å; A1526-I1529 PolarHBondContact O-N 3.34Å; A1526-D1530 PolarHBondContact O-N 3.18Å
1527M65.5Low66.7Low70 Ų7090.7 Ų90.735%0.34547%0.471SS..Hα-helixtrans-63-38.8176.4-144.2176.2-56.300111.4V1473 L1519 Q1523 I1524 I1531V1473-M1527 HydrophobicContact CG2-CG 4.47Å; V1473-M1527 HydrophobicContact CG2-SD 4.06Å; L1519-M1527 HydrophobicContact CD1-CE 3.97Å; L1519-M1527 HydrophobicContact CD2-CE 4.05Å; Q1523-M1527 VanDerWaalsContact O-CB 3.31Å; Q1523-M1527 WeakPolarHBondContact O-CB 3.28Å; Q1523-M1527 PolarHBondContact O-N 3.31Å; I1524-M1527 PolarHBondContact O-N 3.24Å; M1527-I1531 HydrophobicContact CG-CD1 4.43Å; M1527-I1531 VanDerWaalsContact O-CB 3.3Å; M1527-I1531 WeakPolarHBondContact O-CB 3.12Å; M1527-I1531 VanDerWaalsContact O-CD1 3.3Å; M1527-I1531 WeakPolarHBondContact O-CD1 3.25Å; M1527-I1531 WeakPolarHBondContact O-CG1 3.45Å; M1527-I1531 PolarHBondContact O-N 3.17Å
1528A69.1Low66.4Low61 Ų6186 Ų8650%0.50445%0.448SS..Hα-helixtrans-66.5-35.6174.800000112.9I1524 E1525 A1526 G1532I1524-A1528 WeakPolarHBondContact O-CB 3.26Å; I1524-A1528 PolarHBondContact O-N 3.24Å; E1525-A1528 PolarHBondContact O-N 2.8Å; A1526-A1528 VanDerWaalsContact C-N 3.31Å; A1526-A1528 PolarHBondContact O-N 3.04Å; A1528-G1532 PolarHBondContact O-N 3.3Å
1529I74.6Confident66.1Low102 Ų10287.5 Ų87.552%0.52345%0.453SS..Hα-helixtrans-69.2-46.2175.4-70.5165.5000111E1525 A1526 G1532 N1533E1525-I1529 VanDerWaalsContact O-CG1 3.32Å; E1525-I1529 WeakPolarHBondContact O-CG1 3.42Å; E1525-I1529 PolarHBondContact O-N 3.1Å; A1526-I1529 PolarHBondContact O-N 3.34Å; I1529-G1532 CarbonylContact O-C 3.56Å; I1529-G1532 WeakPolarHBondContact O-CA 3.37Å; I1529-G1532 PolarHBondContact O-N 2.91Å; I1529-G1532 VanDerWaalsContact O-N 3.11Å; I1529-N1533 WeakPolarHBondContact O-CB 3.46Å; I1529-N1533 PolarHBondContact O-N 2.72Å; I1529-N1533 PolarHBondContact O-ND2 3.06Å
1530D69.3Low65.5Low100 Ų10090.3 Ų90.354%0.53547%0.468SS..Hα-helixtrans-65.9-38177.6-88.1-4.9000112.4A1526 G1532 N1533 N1534A1526-D1530 PolarHBondContact O-N 3.18Å; D1530-G1532 VanDerWaalsContact C-N 3.35Å; D1530-N1533 PolarHBondContact O-N 3.23Å; D1530-N1534 WeakPolarHBondContact O-CB 3.35Å; D1530-N1534 PolarHBondContact O-N 3.48Å; D1530-N1534 PolarHBondContact O-ND2 3.44Å
1531I61.7Low64.7Low62 Ų6289.8 Ų89.832%0.31847%0.465SS..Hα-helixtrans-60.4-46.2169.3-71.2165000109.8V1473 M1527 L1535V1473-I1531 HydrophobicContact CG2-CD1 4.26Å; M1527-I1531 HydrophobicContact CG-CD1 4.43Å; M1527-I1531 VanDerWaalsContact O-CB 3.3Å; M1527-I1531 WeakPolarHBondContact O-CB 3.12Å; M1527-I1531 VanDerWaalsContact O-CD1 3.3Å; M1527-I1531 WeakPolarHBondContact O-CD1 3.25Å; M1527-I1531 WeakPolarHBondContact O-CG1 3.45Å; M1527-I1531 PolarHBondContact O-N 3.17Å; I1531-L1535 HydrophobicContact CG2-CD1 3.61Å; I1531-L1535 HydrophobicContact CG2-CG 4.27Å; I1531-L1535 VanDerWaalsContact O-CB 3.26Å; I1531-L1535 WeakPolarHBondContact O-CB 3.02Å; I1531-L1535 WeakPolarHBondContact O-CG 3.43Å; I1531-L1535 PolarHBondContact O-N 3Å
1532G67.4Low63.9Low28 Ų2892 Ų9229%0.28948%0.477SS..Hα-helixtrans-63.3-40178.400000114.1A1528 I1529 D1530 R1536A1528-G1532 PolarHBondContact O-N 3.3Å; I1529-G1532 CarbonylContact O-C 3.56Å; I1529-G1532 WeakPolarHBondContact O-CA 3.37Å; I1529-G1532 PolarHBondContact O-N 2.91Å; I1529-G1532 VanDerWaalsContact O-N 3.11Å; D1530-G1532 VanDerWaalsContact C-N 3.35Å; G1532-R1536 WeakPolarHBondContact O-CB 3.44Å; G1532-R1536 VanDerWaalsContact O-CG 3.3Å; G1532-R1536 WeakPolarHBondContact O-CG 3.25Å; G1532-R1536 PolarHBondContact O-N 3.25Å
1533N69.2Low63.1Low77 Ų7787.1 Ų87.141%0.41246%0.459SS..Hα-helixtrans-70.5-41.3179.3-73.3-24.9000111.9I1529 D1530 R1536I1529-N1533 WeakPolarHBondContact O-CB 3.46Å; I1529-N1533 PolarHBondContact O-N 2.72Å; I1529-N1533 PolarHBondContact O-ND2 3.06Å; D1530-N1533 PolarHBondContact O-N 3.23Å; N1533-R1536 PolarHBondContact O-N 3.43Å
1534N59.5Low62.3Low42 Ų4287.4 Ų87.423%0.22546%0.463CS..Hα-helixtrans-74.9-32.2176.2-71.4-44.6000112.6D1530 R1536 K1537D1530-N1534 WeakPolarHBondContact O-CB 3.35Å; D1530-N1534 PolarHBondContact O-N 3.48Å; D1530-N1534 PolarHBondContact O-ND2 3.44Å; N1534-R1536 VanDerWaalsContact C-N 3.31Å; N1534-R1536 PolarHBondContact O-N 3.21Å; N1534-K1537 PolarHBondContact O-N 2.88Å; N1534-K1537 PolarHBondContact OD1-NZ 2.96Å
1535L60.8Low61.9Low85 Ų8588.3 Ų88.345%0.44547%0.468SS..Hα-helixtrans-66.6-29.8169.6-73.4172000112.7I1531 K1537 L1538 I1541I1531-L1535 HydrophobicContact CG2-CD1 3.61Å; I1531-L1535 HydrophobicContact CG2-CG 4.27Å; I1531-L1535 VanDerWaalsContact O-CB 3.26Å; I1531-L1535 WeakPolarHBondContact O-CB 3.02Å; I1531-L1535 WeakPolarHBondContact O-CG 3.43Å; I1531-L1535 PolarHBondContact O-N 3Å; L1535-K1537 VanDerWaalsContact C-N 3.29Å; L1535-K1537 PolarHBondContact O-N 3.36Å; L1535-L1538 HydrophobicContact CD2-CD1 4.44Å; L1535-L1538 PolarHBondContact O-N 2.97Å; L1535-I1541 HydrophobicContact CB-CD1 4.19Å; L1535-I1541 HydrophobicContact CD2-CD1 3.95Å; L1535-I1541 VanDerWaalsContact O-CD1 3.3Å; L1535-I1541 WeakPolarHBondContact O-CD1 3.2Å
1536R61.6Low61.3Low209 Ų20986.9 Ų86.979%0.78947%0.471SS*.Hα-helixtrans-70.1-20.5176-84.2174.5173-176.8-2.8114.4G1532 N1533 N1534 L1538G1532-R1536 WeakPolarHBondContact O-CB 3.44Å; G1532-R1536 VanDerWaalsContact O-CG 3.3Å; G1532-R1536 WeakPolarHBondContact O-CG 3.25Å; G1532-R1536 PolarHBondContact O-N 3.25Å; N1533-R1536 PolarHBondContact O-N 3.43Å; N1534-R1536 VanDerWaalsContact C-N 3.31Å; N1534-R1536 PolarHBondContact O-N 3.21Å; R1536-L1538 VanDerWaalsContact C-N 3.29Å
1537K57.8Low60.5Low117 Ų11791.2 Ų91.251%0.50948%0.482SS..Hα-helixtrans-71.9-25.2172.8-64.9173.8-179.6166.90112.2N1534 L1535 T1539N1534-K1537 PolarHBondContact O-N 2.88Å; N1534-K1537 PolarHBondContact OD1-NZ 2.96Å; L1535-K1537 VanDerWaalsContact C-N 3.29Å; L1535-K1537 PolarHBondContact O-N 3.36Å; K1537-T1539 PolarHBondContact O-N 3.38Å
1538L53.8Low59.9Low58 Ų5890.9 Ų90.930%0.30448%0.484SS..SBendtrans-82.992.5175-65.3168.8000109.9L1535 R1536 I1541L1535-L1538 HydrophobicContact CD2-CD1 4.44Å; L1535-L1538 PolarHBondContact O-N 2.97Å; R1536-L1538 VanDerWaalsContact C-N 3.29Å; L1538-I1541 HydrophobicContact CB-CD1 3.84Å; L1538-I1541 HydrophobicContact CB-CG1 4.02Å; L1538-I1541 HydrophobicContact CD1-CD1 4.38Å
1539T52.4Low59.5Low127 Ų12796.7 Ų96.778%0.77949%0.493SS*.THydrogen-bonded Turntrans-59.4153.7167.747.80000110.6K1537 I1541K1537-T1539 PolarHBondContact O-N 3.38Å; T1539-I1541 PolarHBondContact O-N 3.34Å
1540N52.3Low58.9Low115 Ų11594 Ų9462%0.61549%0.49SS*.THydrogen-bonded Turntrans69.411.9179.7-102.6-1.8000119.5Q1542 A1543 I1544N1540-Q1542 PolarHBondContact O-N 2.93Å; N1540-Q1542 VanDerWaalsContact O-N 3.14Å; N1540-A1543 HydrophobicContact CB-CB 4.1Å; N1540-A1543 WeakPolarHBondContact O-CB 3.36Å; N1540-A1543 PolarHBondContact O-N 3.15Å; N1540-A1543 VanDerWaalsContact OD1-CB 3.25Å; N1540-A1543 WeakPolarHBondContact OD1-CB 3.1Å; N1540-I1544 WeakPolarHBondContact O-CG1 3.5Å; N1540-I1544 PolarHBondContact O-N 3.22Å
1541I54Low58.4Low60 Ų6093 Ų9331%0.30849%0.491SS..Hα-helixtrans-50.8-40.7173.1-74.5174000113.3L1535 L1538 T1539 L1545L1535-I1541 HydrophobicContact CB-CD1 4.19Å; L1535-I1541 HydrophobicContact CD2-CD1 3.95Å; L1535-I1541 VanDerWaalsContact O-CD1 3.3Å; L1535-I1541 WeakPolarHBondContact O-CD1 3.2Å; L1538-I1541 HydrophobicContact CB-CD1 3.84Å; L1538-I1541 HydrophobicContact CB-CG1 4.02Å; L1538-I1541 HydrophobicContact CD1-CD1 4.38Å; T1539-I1541 PolarHBondContact O-N 3.34Å; I1541-L1545 HydrophobicContact CG2-CD1 3.97Å; I1541-L1545 WeakPolarHBondContact O-CB 3.21Å; I1541-L1545 WeakPolarHBondContact O-CG 3.4Å; I1541-L1545 PolarHBondContact O-N 3.02Å
1542Q56.1Low58.2Low169 Ų16996.1 Ų96.179%0.7951%0.506SS*.Hα-helixtrans-73.2-30.4178.7-74.1177.9-14.100113.1N1540 A1546N1540-Q1542 PolarHBondContact O-N 2.93Å; N1540-Q1542 VanDerWaalsContact O-N 3.14Å; Q1542-A1546 WeakPolarHBondContact O-CB 3.48Å; Q1542-A1546 PolarHBondContact O-N 3.1Å
1543A56.7Low58.3Low27 Ų2798 Ų9822%0.22352%0.515CS..Hα-helixtrans-69.8-45.4171.600000110.7N1540 L1545 A1546 E1547N1540-A1543 HydrophobicContact CB-CB 4.1Å; N1540-A1543 WeakPolarHBondContact O-CB 3.36Å; N1540-A1543 PolarHBondContact O-N 3.15Å; N1540-A1543 VanDerWaalsContact OD1-CB 3.25Å; N1540-A1543 WeakPolarHBondContact OD1-CB 3.1Å; A1543-L1545 VanDerWaalsContact C-N 3.3Å; A1543-L1545 PolarHBondContact O-N 3.13Å; A1543-A1546 CarbonylContact O-C 3.55Å; A1543-A1546 WeakPolarHBondContact O-CA 3.41Å; A1543-A1546 WeakPolarHBondContact O-CB 3.31Å; A1543-A1546 PolarHBondContact O-N 2.04Å; A1543-E1547 WeakPolarHBondContact O-CB 3.46Å; A1543-E1547 WeakPolarHBondContact O-CG 3.34Å; A1543-E1547 PolarHBondContact O-N 2.69Å
1544I52.4Low58.1Low90 Ų9098.9 Ų98.946%0.46252%0.519SS..Hα-helixtrans-60.3-39.4176.2-64.8165.1000110.9N1540 T1548N1540-I1544 WeakPolarHBondContact O-CG1 3.5Å; N1540-I1544 PolarHBondContact O-N 3.22Å; I1544-T1548 HydrophobicContact CG2-CG2 4.31Å; I1544-T1548 VanDerWaalsContact O-CB 3.3Å; I1544-T1548 WeakPolarHBondContact O-CB 3.34Å; I1544-T1548 VanDerWaalsContact O-CG2 3.24Å; I1544-T1548 WeakPolarHBondContact O-CG2 3.39Å; I1544-T1548 PolarHBondContact O-N 3.32Å; I1544-T1548 PolarHBondContact O-OG1 3.49Å
1545L58Low58.4Low113 Ų11399.7 Ų99.759%0.59253%0.531SS*.Hα-helixtrans-71.4-25.4173.7-73.6170.4000113.8I1541 A1543I1541-L1545 HydrophobicContact CG2-CD1 3.97Å; I1541-L1545 WeakPolarHBondContact O-CB 3.21Å; I1541-L1545 WeakPolarHBondContact O-CG 3.4Å; I1541-L1545 PolarHBondContact O-N 3.02Å; A1543-L1545 VanDerWaalsContact C-N 3.3Å; A1543-L1545 PolarHBondContact O-N 3.13Å
1546A61.3Low58.9Low59 Ų59102.8 Ų102.849%0.48854%0.543SS..Hα-helixtrans-77.4-42.1172.400000111.9Q1542 A1543 R1549Q1542-A1546 WeakPolarHBondContact O-CB 3.48Å; Q1542-A1546 PolarHBondContact O-N 3.1Å; A1543-A1546 CarbonylContact O-C 3.55Å; A1543-A1546 WeakPolarHBondContact O-CA 3.41Å; A1543-A1546 WeakPolarHBondContact O-CB 3.31Å; A1543-A1546 PolarHBondContact O-N 2.04Å; A1546-R1549 VanDerWaalsContact O-CB 3.32Å; A1546-R1549 WeakPolarHBondContact O-CB 3.42Å; A1546-R1549 PolarHBondContact O-N 2.76Å
1547E57.3Low59.4Low145 Ų14598.5 Ų98.568%0.67853%0.533SS*.Hα-helixtrans-69.3-42.1178.4-71.6172.7170.400111.6A1543 R1549A1543-E1547 WeakPolarHBondContact O-CB 3.46Å; A1543-E1547 WeakPolarHBondContact O-CG 3.34Å; A1543-E1547 PolarHBondContact O-N 2.69Å; E1547-R1549 VanDerWaalsContact C-N 3.25Å; E1547-R1549 PolarHBondContact O-N 3.45Å
1548T51.8Low59.9Low63 Ų6397.8 Ų97.839%0.38753%0.533SS..Hα-helixtrans-73.7-10.8177.955.90000114.3I1544 G1550 S1551 M1552I1544-T1548 HydrophobicContact CG2-CG2 4.31Å; I1544-T1548 VanDerWaalsContact O-CB 3.3Å; I1544-T1548 WeakPolarHBondContact O-CB 3.34Å; I1544-T1548 VanDerWaalsContact O-CG2 3.24Å; I1544-T1548 WeakPolarHBondContact O-CG2 3.39Å; I1544-T1548 PolarHBondContact O-N 3.32Å; I1544-T1548 PolarHBondContact O-OG1 3.49Å; T1548-G1550 PolarHBondContact O-N 3.15Å; T1548-S1551 PolarHBondContact O-N 3.45Å; T1548-S1551 VanDerWaalsContact O-N 3.13Å; T1548-M1552 PolarHBondContact O-N 3.21Å; T1548-M1552 VanDerWaalsContact O-N 3.15Å
1549R61.4Low60.7Low183 Ų183101.6 Ų101.669%0.69155%0.548SS*.Hα-helixtrans-58.9-33175.1-175.8179.2-86.2162.9-6.3112.1A1546 E1547A1546-R1549 VanDerWaalsContact O-CB 3.32Å; A1546-R1549 WeakPolarHBondContact O-CB 3.42Å; A1546-R1549 PolarHBondContact O-N 2.76Å; E1547-R1549 VanDerWaalsContact C-N 3.25Å; E1547-R1549 PolarHBondContact O-N 3.45Å
1550G61.8Low61.7Low44 Ų4498.7 Ų98.745%0.45453%0.532SS..Hα-helixtrans-65.6-47.2173.500000112.7T1548 M1552 S1553 L1554T1548-G1550 PolarHBondContact O-N 3.15Å; G1550-M1552 VanDerWaalsContact C-N 3.26Å; G1550-M1552 PolarHBondContact O-N 3.3Å; G1550-S1553 PolarHBondContact O-N 3.36Å; G1550-S1553 PolarHBondContact O-OG 3.38Å; G1550-L1554 PolarHBondContact O-N 3.15Å
1551S59.7Low62.2Low80 Ų80101.6 Ų101.656%0.55954%0.535SS*.Hα-helixtrans-61.9-32.4179.5-54.30000113T1548 L1554 A1555T1548-S1551 PolarHBondContact O-N 3.45Å; T1548-S1551 VanDerWaalsContact O-N 3.13Å; S1551-L1554 PolarHBondContact O-N 3.02Å; S1551-A1555 PolarHBondContact O-N 3.16Å
1552M58Low62.6Low127 Ų127101.8 Ų101.863%0.62655%0.545SS*.Hα-helixtrans-68.1-37.9177.3-144.5-164.7-46.300112.8T1548 G1550 A1555 Q1556T1548-M1552 PolarHBondContact O-N 3.21Å; T1548-M1552 VanDerWaalsContact O-N 3.15Å; G1550-M1552 VanDerWaalsContact C-N 3.26Å; G1550-M1552 PolarHBondContact O-N 3.3Å; M1552-A1555 PolarHBondContact O-N 3.16Å; M1552-Q1556 PolarHBondContact O-N 3.34Å
1553S67.8Low63.4Low68 Ų6898.5 Ų98.548%0.47653%0.533SS..Hα-helixtrans-72.8-33177.477.80000112.2G1550 Q1556 Q1557G1550-S1553 PolarHBondContact O-N 3.36Å; G1550-S1553 PolarHBondContact O-OG 3.38Å; S1553-Q1556 PolarHBondContact O-N 2.04Å; S1553-Q1557 PolarHBondContact O-N 3.29Å
1554L65.7Low63.9Low95 Ų95103.4 Ų103.450%0.49755%0.552SS.*Hα-helixtrans-61.6-42.2173.4-174.365.8000111.7G1550 S1551 Q1556 Q1557 L1558G1550-L1554 PolarHBondContact O-N 3.15Å; S1551-L1554 PolarHBondContact O-N 3.02Å; L1554-Q1556 PolarHBondContact O-N 3.28Å; L1554-Q1557 PolarHBondContact O-N 2.84Å; L1554-L1558 HydrophobicContact CG-CD1 4.31Å; L1554-L1558 WeakPolarHBondContact O-CG 3.23Å; L1554-L1558 PolarHBondContact O-N 2.75Å
1555A65.9Low64.2Low59 Ų59101.6 Ų101.649%0.48855%0.55SS.*Hα-helixtrans-60.8-40.1176.400000112.9S1551 M1552 L1558 K1559S1551-A1555 PolarHBondContact O-N 3.16Å; M1552-A1555 PolarHBondContact O-N 3.16Å; A1555-L1558 PolarHBondContact O-N 3.06Å; A1555-K1559 PolarHBondContact O-N 2.82Å
1556Q70.9Confident64.6Low150 Ų150104.1 Ų104.170%0.70156%0.556SS**Hα-helixtrans-70.6-36.5176-74.2178.7-24.200112.7M1552 S1553 L1554 K1559 S1560M1552-Q1556 PolarHBondContact O-N 3.34Å; S1553-Q1556 PolarHBondContact O-N 2.04Å; L1554-Q1556 PolarHBondContact O-N 3.28Å; Q1556-K1559 PolarHBondContact O-N 2.78Å; Q1556-S1560 PolarHBondContact O-N 2.82Å
1557Q71.6Confident65Low120 Ų120106.5 Ų106.556%0.56157%0.565SS**Hα-helixtrans-63.2-40.7172-81.5-167.8-2.100112.7S1553 L1554 K1559 S1560 R1561S1553-Q1557 PolarHBondContact O-N 3.29Å; L1554-Q1557 PolarHBondContact O-N 2.84Å; Q1557-K1559 VanDerWaalsContact C-N 3.32Å; Q1557-K1559 PolarHBondContact O-N 2.94Å; Q1557-S1560 PolarHBondContact O-N 3.4Å; Q1557-R1561 PolarHBondContact O-N 3.37Å; Q1557-R1561 VanDerWaalsContact O-N 3.14Å
1558L68.7Low65.3Low101 Ų101107.2 Ų107.253%0.52956%0.561SS.*Hα-helixtrans-61.6-39.4179.3-73.7167.7000112L1554 A1555 S1560 R1561 A1562L1554-L1558 HydrophobicContact CG-CD1 4.31Å; L1554-L1558 WeakPolarHBondContact O-CG 3.23Å; L1554-L1558 PolarHBondContact O-N 2.75Å; A1555-L1558 PolarHBondContact O-N 3.06Å; L1558-S1560 PolarHBondContact O-N 3.11Å; L1558-R1561 PolarHBondContact O-N 2.72Å; L1558-A1562 PolarHBondContact O-N 2.87Å
1559K71.8Confident65.7Low138 Ų138108.4 Ų108.460%0.656%0.564SS**Hα-helixtrans-58.7-47.1172.9-170.3-159.8169-64.20112A1555 Q1556 Q1557 R1561 A1562 D1563A1555-K1559 PolarHBondContact O-N 2.82Å; Q1556-K1559 PolarHBondContact O-N 2.78Å; Q1557-K1559 VanDerWaalsContact C-N 3.32Å; Q1557-K1559 PolarHBondContact O-N 2.94Å; K1559-R1561 VanDerWaalsContact C-N 3.29Å; K1559-R1561 PolarHBondContact O-N 2.81Å; K1559-A1562 WeakPolarHBondContact O-CB 3.15Å; K1559-A1562 PolarHBondContact O-N 3.21Å; K1559-D1563 IonicContact NZ-OD2 3.55Å; K1559-D1563 PolarHBondContact NZ-OD2 2.81Å
1560S72.5Confident65.9Low66 Ų66107.2 Ų107.246%0.46257%0.567SS.*Hα-helixtrans-62-35-179.2-176.10000112.9Q1556 Q1557 L1558Q1556-S1560 PolarHBondContact O-N 2.82Å; Q1557-S1560 PolarHBondContact O-N 3.4Å; L1558-S1560 PolarHBondContact O-N 3.11Å
1561R62.3Low66Low176 Ų176106.8 Ų106.866%0.66456%0.559SS**Hα-helixtrans-67.4-33175.1-84.4180166.2169.3-2.9113.6Q1557 L1558 K1559 A1565Q1557-R1561 PolarHBondContact O-N 3.37Å; Q1557-R1561 VanDerWaalsContact O-N 3.14Å; L1558-R1561 PolarHBondContact O-N 2.72Å; K1559-R1561 VanDerWaalsContact C-N 3.29Å; K1559-R1561 PolarHBondContact O-N 2.81Å; R1561-A1565 PolarHBondContact O-N 3.32Å
1562A64Low65.9Low64 Ų64103 Ų10353%0.52953%0.532SS..Hα-helixtrans-65.6-43.2178.700000111.9L1558 K1559 Q1564 A1565L1558-A1562 PolarHBondContact O-N 2.87Å; K1559-A1562 WeakPolarHBondContact O-CB 3.15Å; K1559-A1562 PolarHBondContact O-N 3.21Å; A1562-Q1564 VanDerWaalsContact C-N 3.31Å; A1562-Q1564 PolarHBondContact O-N 2.9Å; A1562-A1565 PolarHBondContact O-N 3.02Å
1563D70.9Confident66.1Low100 Ų100103.9 Ų103.954%0.53554%0.535SS..Hα-helixtrans-64-33.4-179.3-69.7-43000112.2K1559K1559-D1563 IonicContact NZ-OD2 3.55Å; K1559-D1563 PolarHBondContact NZ-OD2 2.81Å
1564Q68.7Low66.1Low131 Ų131109.9 Ų109.961%0.61255%0.547SS*.Hα-helixtrans-75.4-26.6177.9-69.8-175.7-6.500114.5A1562 K1566A1562-Q1564 VanDerWaalsContact C-N 3.31Å; A1562-Q1564 PolarHBondContact O-N 2.9Å; Q1564-K1566 VanDerWaalsContact C-N 3.31Å; Q1564-K1566 PolarHBondContact O-N 3.35Å
1565A57.9Low65.8Low52 Ų52105.4 Ų105.443%0.4352%0.524SS..Hα-helixtrans-66.2-34.2-176.900000112.5R1561 A1562 V1567 R1568R1561-A1565 PolarHBondContact O-N 3.32Å; A1562-A1565 PolarHBondContact O-N 3.02Å; A1565-V1567 VanDerWaalsContact C-N 3.29Å; A1565-V1567 PolarHBondContact O-N 2.95Å; A1565-R1568 PolarHBondContact O-N 2.99Å
1566K67.1Low65.5Low166 Ų166104.2 Ų104.272%0.72251%0.514SS*.Hα-helixtrans-55.7-38.2-178.6-177.2179.6176-1770113.7Q1564Q1564-K1566 VanDerWaalsContact C-N 3.31Å; Q1564-K1566 PolarHBondContact O-N 3.35Å
1567V70.3Confident65.2Low109 Ų109104.6 Ų104.666%0.66152%0.515SS*.Hα-helixtrans-76.4-26.2-172.3178.40000112.6A1565 I1569A1565-V1567 VanDerWaalsContact C-N 3.29Å; A1565-V1567 PolarHBondContact O-N 2.95Å; V1567-I1569 VanDerWaalsContact C-N 3.33Å; V1567-I1569 PolarHBondContact O-N 2.79Å
1568R62.7Low64.9Low160 Ų160105.4 Ų105.460%0.60452%0.519SS*.Hα-helixtrans-76-21.1-177.9-68-175.7176.2-168.9-2.9113.7A1565 E1570 T1694A1565-R1568 PolarHBondContact O-N 2.99Å; R1568-E1570 PolarHBondContact O-N 3.14Å; R1568-T1694 HydrophobicContact CB-CG2 3.57Å; R1568-T1694 HydrophobicContact CG-CG2 4.23Å
1569I59.3Low64.4Low88 Ų88101.3 Ų101.345%0.45150%0.498SS..THydrogen-bonded Turntrans-64.1-25.4-174.9-70.4167.5000112.1V1567 K1691V1567-I1569 VanDerWaalsContact C-N 3.33Å; V1567-I1569 PolarHBondContact O-N 2.79Å; I1569-K1691 HydrophobicContact CG2-CG 4.48Å; I1569-K1691 WeakPolarHBondContact O-CB 3.28Å; I1569-K1691 WeakPolarHBondContact O-CE 3.34Å; I1569-K1691 WeakPolarHBondContact O-CG 3.2Å
1570E67Low64.2Low158 Ų158100 Ų10074%0.73850%0.496SS*.THydrogen-bonded Turntrans-79.7-21.7-172.9-64.7178157.300114.7R1568 V1572R1568-E1570 PolarHBondContact O-N 3.14Å; E1570-V1572 PolarHBondContact O-N 3.12Å
1571A64.2Low63.8Low35 Ų35101.4 Ų101.429%0.28951%0.507SS..G310 helixtrans-72.7-23.5-163.900000116.3R1574A1571-R1574 PolarHBondContact O-NE 3.41Å; A1571-R1574 PolarHBondContact O-NH2 2.84Å
1572V56.6Low63.8Low0 Ų093.9 Ų93.90%048%0.482CS..G310 helixtrans-103.2-8-148.7160.50000114.1E1570 R1574 A1575 L1687 L1688 E1690 K1691E1570-V1572 PolarHBondContact O-N 3.12Å; V1572-R1574 PolarHBondContact O-N 2.03Å; V1572-R1574 VanDerWaalsContact O-N 3.09Å; V1572-A1575 PolarHBondContact O-N 2.68Å; V1572-L1687 WeakPolarHBondContact CA-O 3.35Å; V1572-L1687 WeakPolarHBondContact CB-O 3.26Å; V1572-L1687 WeakPolarHBondContact CG1-O 3.42Å; V1572-L1687 HydrophobicContact CG2-CD2 4.36Å; V1572-L1687 WeakPolarHBondContact CG2-O 3.49Å; V1572-L1688 HydrophobicContact CG1-CD2 4.33Å; V1572-L1688 WeakPolarHBondContact CG1-O 3.31Å; V1572-E1690 HydrophobicContact CG2-CB 3.3Å; V1572-K1691 HydrophobicContact CB-CB 3.41Å; V1572-K1691 VanDerWaalsContact CB-CB 3.41Å; V1572-K1691 HydrophobicContact CB-CD 3.57Å; V1572-K1691 HydrophobicContact CB-CG 3.87Å; V1572-K1691 VanDerWaalsContact CG1-CA 3.46Å; V1572-K1691 HydrophobicContact CG1-CB 3.39Å; V1572-K1691 HydrophobicContact CG1-CD 3.48Å; V1572-K1691 VanDerWaalsContact CG1-CD 3.48Å; V1572-K1691 HydrophobicContact CG1-CG 3.68Å; V1572-K1691 HydrophobicContact CG2-CB 3.7Å
1573E63.1Low63.7Low145 Ų14595 Ų9568%0.67848%0.478SS*.G310 helixtrans-54.5-29.5171.2-133.2153.7117.800113.3K1691E1573-K1691 VanDerWaalsContact CB-NZ 3.31Å; E1573-K1691 IonicContact OE2-NZ 2.66Å; E1573-K1691 PolarHBondContact OE2-NZ 2.82Å
1574R66.3Low63.4Low195 Ų19595.9 Ų95.974%0.73648%0.483SS*.G310 helixtrans-76.8-24.8-173.5-71176-69.7-155.8-1114A1571 V1572A1571-R1574 PolarHBondContact O-NE 3.41Å; A1571-R1574 PolarHBondContact O-NH2 2.84Å; V1572-R1574 PolarHBondContact O-N 2.03Å; V1572-R1574 VanDerWaalsContact O-N 3.09Å
1575A60.7Low63.1Low1 Ų195.2 Ų95.21%0.00848%0.484CS..G310 helixtrans-64.9-48.9-178.800000112.6V1572 H1577 E1578 T1684 L1687 L1688V1572-A1575 PolarHBondContact O-N 2.68Å; A1575-H1577 PolarHBondContact O-N 3.03Å; A1575-E1578 PolarHBondContact O-N 3.06Å; A1575-E1578 VanDerWaalsContact O-N 3.17Å; A1575-T1684 VanDerWaalsContact C-CG2 3.47Å; A1575-T1684 HydrophobicContact CB-CG2 4.16Å; A1575-T1684 WeakPolarHBondContact CB-O 3.48Å; A1575-T1684 WeakPolarHBondContact O-CG2 3.31Å; A1575-L1687 HydrophobicContact CB-CB 3.45Å; A1575-L1687 VanDerWaalsContact CB-CB 3.45Å; A1575-L1687 HydrophobicContact CB-CD1 4.01Å; A1575-L1687 HydrophobicContact CB-CD2 3.98Å; A1575-L1687 HydrophobicContact CB-CG 3.97Å; A1575-L1687 WeakPolarHBondContact CB-O 3.37Å; A1575-L1688 HydrophobicContact CB-CG 4.25Å
1576A57.9Low63Low34 Ų3494.6 Ų94.628%0.28148%0.476SS..G310 helixtrans-56.4-11.4-155.300000117.2L1688A1576-L1688 HydrophobicContact CB-CD1 3.88Å; A1576-L1688 HydrophobicContact CB-CD2 3.93Å; A1576-L1688 HydrophobicContact CB-CG 4.09Å
1577H66Low62.8Low157 Ų15793.8 Ų93.873%0.72747%0.473SS*.G310 helixtrans-78.8-24.9179.8-82.257.6000114.2A1575A1575-H1577 PolarHBondContact O-N 3.03Å
1578E63.8Low62.4Low137 Ų13795.3 Ų95.364%0.6447%0.472SS*.SBendtrans-85.5-31.9-171-69.1-176.7153.400114A1575 I1580 S1581 T1684A1575-E1578 PolarHBondContact O-N 3.06Å; A1575-E1578 VanDerWaalsContact O-N 3.17Å; E1578-I1580 PolarHBondContact O-N 3.15Å; E1578-I1580 VanDerWaalsContact O-N 3.09Å; E1578-S1581 PolarHBondContact O-N 3.05Å; E1578-T1684 HydrophobicContact CB-CG2 4.5Å; E1578-T1684 VanDerWaalsContact CB-OG1 3.31Å; E1578-T1684 WeakPolarHBondContact CB-OG1 3.5Å
1579V60Low62.3Low16 Ų1694.4 Ų94.410%0.09747%0.473CS..Hα-helixtrans-51.9-32.1175.3126.50000113.5S1581 A1582 L1583 Y1681 T1684V1579-S1581 PolarHBondContact O-N 2.89Å; V1579-A1582 PolarHBondContact O-N 3.2Å; V1579-L1583 HydrophobicContact CG1-CD1 4.24Å; V1579-Y1681 HydrophobicContact CB-CD2 4.37Å; V1579-Y1681 HydrophobicContact CB-CE2 4.27Å; V1579-Y1681 HydrophobicContact CG1-CD2 4.44Å; V1579-Y1681 HydrophobicContact CG1-CE2 3.86Å; V1579-Y1681 HydrophobicContact CG2-CD1 4.18Å; V1579-Y1681 HydrophobicContact CG2-CD2 3.5Å; V1579-Y1681 VanDerWaalsContact CG2-CD2 3.5Å; V1579-Y1681 HydrophobicContact CG2-CE1 4.28Å; V1579-Y1681 HydrophobicContact CG2-CE2 3.62Å; V1579-Y1681 HydrophobicContact CG2-CG 3.79Å; V1579-T1684 HydrophobicContact CB-CG2 3.48Å; V1579-T1684 VanDerWaalsContact CB-CG2 3.48Å; V1579-T1684 VanDerWaalsContact CG2-CB 3.42Å; V1579-T1684 HydrophobicContact CG2-CG2 3.49Å; V1579-T1684 VanDerWaalsContact CG2-CG2 3.49Å; V1579-T1684 PolarHBondContact N-OG1 2.83Å
1580I66.5Low62.3Low109 Ų10996.1 Ų96.156%0.55948%0.479SS*.Hα-helixtrans-62.9-29.6-171.4-62.9175000111.5E1578E1578-I1580 PolarHBondContact O-N 3.15Å; E1578-I1580 VanDerWaalsContact O-N 3.09Å
1581S64.9Low62.3Low97 Ų9791.7 Ų91.768%0.67847%0.469SS*.Hα-helixtrans-72.8-36.9-179.1-163.70000113.1E1578 V1579 L1583E1578-S1581 PolarHBondContact O-N 3.05Å; V1579-S1581 PolarHBondContact O-N 2.89Å; S1581-L1583 VanDerWaalsContact C-N 3.33Å; S1581-L1583 PolarHBondContact O-N 2.66Å
1582A61.6Low62.2Low17 Ų1794.8 Ų94.814%0.1449%0.485CS..Hα-helixtrans-70.7-25.3-176.100000113.8V1579 N1584 D1585 L1677 Y1681V1579-A1582 PolarHBondContact O-N 3.2Å; A1582-N1584 VanDerWaalsContact C-N 3.26Å; A1582-N1584 PolarHBondContact O-N 3.36Å; A1582-D1585 PolarHBondContact O-N 3Å; A1582-L1677 HydrophobicContact CB-CD1 3.76Å; A1582-L1677 HydrophobicContact CB-CG 4.49Å; A1582-Y1681 HydrophobicContact CB-CD2 4.44Å
1583L62.3Low62.3Low87 Ų8796.9 Ų96.946%0.45550%0.502SS..THydrogen-bonded Turntrans-67.6-18.8-174-74.4167.5000114.6V1579 S1581 Y1681V1579-L1583 HydrophobicContact CG1-CD1 4.24Å; S1581-L1583 VanDerWaalsContact C-N 3.33Å; S1581-L1583 PolarHBondContact O-N 2.66Å; L1583-Y1681 HydrophobicContact CD2-CE2 3.77Å; L1583-Y1681 HydrophobicContact CG-CE2 4.05Å
1584N64.3Low62.4Low120 Ų12097.7 Ų97.764%0.64250%0.503SS*.THydrogen-bonded Turntrans-72.8-35.5179.4-83.8-43.8000113.2A1582 K1587A1582-N1584 VanDerWaalsContact C-N 3.26Å; A1582-N1584 PolarHBondContact O-N 3.36Å; N1584-K1587 VanDerWaalsContact O-CB 3.22Å; N1584-K1587 WeakPolarHBondContact O-CB 3.4Å; N1584-K1587 PolarHBondContact O-N 3.19Å
1585D61.7Low62.5Low117 Ų11796 Ų9663%0.62650%0.503SS*.THydrogen-bonded Turntrans-77.9-32.4-175.8-67-24.7000112.2A1582 K1587 H1588A1582-D1585 PolarHBondContact O-N 3Å; D1585-K1587 PolarHBondContact O-N 2.71Å; D1585-K1587 VanDerWaalsContact O-N 3.08Å; D1585-H1588 PolarHBondContact O-N 3.42Å
1586S56.7Low62.5Low38 Ų3899.1 Ų99.127%0.26653%0.529SS..Hα-helixtrans-55.5-25.5172.4-68.20000113.6H1588 F1589 Q1590S1586-H1588 PolarHBondContact O-N 2.69Å; S1586-F1589 PolarHBondContact O-N 3.46Å; S1586-Q1590 WeakPolarHBondContact O-CG 3.4Å; S1586-Q1590 PolarHBondContact O-N 3.37Å
1587K62.8Low62.7Low150 Ų150102.3 Ų102.365%0.65254%0.541SS*.Hα-helixtrans-62-27.5-177.8-167.3176.6-180178.60113.7N1584 D1585N1584-K1587 VanDerWaalsContact O-CB 3.22Å; N1584-K1587 WeakPolarHBondContact O-CB 3.4Å; N1584-K1587 PolarHBondContact O-N 3.19Å; D1585-K1587 PolarHBondContact O-N 2.71Å; D1585-K1587 VanDerWaalsContact O-N 3.08Å
1588H62Low62.9Low141 Ų14196.4 Ų96.465%0.65352%0.522SS*.Hα-helixtrans-76.1-46.8176.5-174.4-66.9000111.5D1585 S1586 Q1590 A1591D1585-H1588 PolarHBondContact O-N 3.42Å; S1586-H1588 PolarHBondContact O-N 2.69Å; H1588-Q1590 VanDerWaalsContact C-N 3.29Å; H1588-Q1590 PolarHBondContact O-N 2.84Å; H1588-A1591 WeakPolarHBondContact O-CB 3.48Å; H1588-A1591 PolarHBondContact O-N 2.93Å; H1588-A1591 VanDerWaalsContact O-N 3.13Å
1589F61.6Low63.1Low141 Ų14192.3 Ų92.362%0.61851%0.509SS*.Hα-helixtrans-68.5-28.9179.4-69.1-75.2000112.7S1586 A1591 V1592 A1593S1586-F1589 PolarHBondContact O-N 3.46Å; F1589-A1591 PolarHBondContact O-N 3.09Å; F1589-V1592 PolarHBondContact O-N 3.05Å; F1589-A1593 PolarHBondContact O-N 2.77Å; F1589-A1593 VanDerWaalsContact O-N 3.11Å
1590Q59.5Low63.1Low124 Ų12493.8 Ų93.858%0.57952%0.523SS*.Hα-helixtrans-54.6-30.9169.2-80.6176.6-8.100113.4S1586 H1588 K1594S1586-Q1590 WeakPolarHBondContact O-CG 3.4Å; S1586-Q1590 PolarHBondContact O-N 3.37Å; H1588-Q1590 VanDerWaalsContact C-N 3.29Å; H1588-Q1590 PolarHBondContact O-N 2.84Å; Q1590-K1594 VanDerWaalsContact O-CB 3.27Å; Q1590-K1594 WeakPolarHBondContact O-CB 3.4Å; Q1590-K1594 PolarHBondContact O-N 3.25Å
1591A65.5Low63.2Low64 Ų6491.3 Ų91.353%0.52952%0.515SS..Hα-helixtrans-68.6-43.6-17900000112.7H1588 F1589 K1594H1588-A1591 WeakPolarHBondContact O-CB 3.48Å; H1588-A1591 PolarHBondContact O-N 2.93Å; H1588-A1591 VanDerWaalsContact O-N 3.13Å; F1589-A1591 PolarHBondContact O-N 3.09Å; A1591-K1594 WeakPolarHBondContact O-CB 3.05Å; A1591-K1594 PolarHBondContact O-N 3.49Å
1592V62.4Low63.6Low101 Ų10194.5 Ų94.561%0.61251%0.512SS*.Hα-helixtrans-71.1-40.6177.2-179.60000110.6F1589 K1594 E1595 A1596F1589-V1592 PolarHBondContact O-N 3.05Å; V1592-K1594 PolarHBondContact O-N 2.94Å; V1592-E1595 PolarHBondContact O-N 3.3Å; V1592-A1596 PolarHBondContact O-N 2.98Å
1593A58.1Low63.8Low44 Ų4499.3 Ų99.336%0.36454%0.536SS..Hα-helixtrans-59.2-36.3172.400000111.8F1589 E1595 A1596 I1597F1589-A1593 PolarHBondContact O-N 2.77Å; F1589-A1593 VanDerWaalsContact O-N 3.11Å; A1593-E1595 VanDerWaalsContact C-N 3.3Å; A1593-E1595 PolarHBondContact O-N 3Å; A1593-A1596 PolarHBondContact O-N 3.42Å; A1593-I1597 HydrophobicContact CB-CD1 4.33Å; A1593-I1597 VanDerWaalsContact O-CB 3.27Å; A1593-I1597 WeakPolarHBondContact O-CB 3.48Å; A1593-I1597 WeakPolarHBondContact O-CD1 3.04Å; A1593-I1597 WeakPolarHBondContact O-CG1 3.03Å; A1593-I1597 PolarHBondContact O-N 2.77Å
1594K66.3Low63.8Low162 Ų162102.8 Ų102.870%0.70455%0.547SS*.Hα-helixtrans-64-29.9-179.9-161.8174.3-173179.90113.8Q1590 A1591 V1592 G1598Q1590-K1594 VanDerWaalsContact O-CB 3.27Å; Q1590-K1594 WeakPolarHBondContact O-CB 3.4Å; Q1590-K1594 PolarHBondContact O-N 3.25Å; A1591-K1594 WeakPolarHBondContact O-CB 3.05Å; A1591-K1594 PolarHBondContact O-N 3.49Å; V1592-K1594 PolarHBondContact O-N 2.94Å; K1594-G1598 PolarHBondContact O-N 3.02Å
1595E68.6Low64.1Low158 Ų158102.5 Ų102.574%0.73854%0.542SS*.Hα-helixtrans-75.9-43.4176.5-170.6168.4-163.900111.5V1592 A1593 G1598 S1599V1592-E1595 PolarHBondContact O-N 3.3Å; A1593-E1595 VanDerWaalsContact C-N 3.3Å; A1593-E1595 PolarHBondContact O-N 3Å; E1595-G1598 PolarHBondContact O-N 3.2Å; E1595-G1598 VanDerWaalsContact O-N 3.16Å; E1595-S1599 PolarHBondContact O-N 2.87Å; E1595-S1599 VanDerWaalsContact O-N 3.08Å
1596A59.6Low64.4Low67 Ų67101.1 Ų101.155%0.55454%0.538SS*.Hα-helixtrans-63.5-43.6172.300000112.1V1592 A1593 G1598 S1599 A1600V1592-A1596 PolarHBondContact O-N 2.98Å; A1593-A1596 PolarHBondContact O-N 3.42Å; A1596-G1598 VanDerWaalsContact C-N 3.3Å; A1596-G1598 PolarHBondContact O-N 2.91Å; A1596-S1599 PolarHBondContact O-N 2.97Å; A1596-A1600 PolarHBondContact O-N 3.39Å
1597I61.9Low64.6Low102 Ų102101.3 Ų101.352%0.52354%0.542SS..Hα-helixtrans-61.6-38.1171.7-68.6166.6000110.1A1593 S1599 A1600 S1601A1593-I1597 HydrophobicContact CB-CD1 4.33Å; A1593-I1597 VanDerWaalsContact O-CB 3.27Å; A1593-I1597 WeakPolarHBondContact O-CB 3.48Å; A1593-I1597 WeakPolarHBondContact O-CD1 3.04Å; A1593-I1597 WeakPolarHBondContact O-CG1 3.03Å; A1593-I1597 PolarHBondContact O-N 2.77Å; I1597-S1599 VanDerWaalsContact C-N 3.31Å; I1597-S1599 PolarHBondContact O-N 2.88Å; I1597-A1600 CarbonylContact O-C 3.52Å; I1597-A1600 PolarHBondContact O-N 3.19Å; I1597-S1601 WeakPolarHBondContact O-CA 3.49Å; I1597-S1601 WeakPolarHBondContact O-CB 3.3Å; I1597-S1601 PolarHBondContact O-N 3.46Å; I1597-S1601 PolarHBondContact O-OG 2.65Å
1598G72.2Confident64.7Low33 Ų3396.4 Ų96.434%0.3453%0.526SS..Hα-helixtrans-61.1-37.8174.800000113.1K1594 E1595 A1596 R1602K1594-G1598 PolarHBondContact O-N 3.02Å; E1595-G1598 PolarHBondContact O-N 3.2Å; E1595-G1598 VanDerWaalsContact O-N 3.16Å; A1596-G1598 VanDerWaalsContact C-N 3.3Å; A1596-G1598 PolarHBondContact O-N 2.91Å; G1598-R1602 PolarHBondContact O-N 2.82Å
1599S66Low65Low51 Ų5193.4 Ų93.436%0.35752%0.515SS..Hα-helixtrans-75.9-38.9174.8-141.90000112.8E1595 A1596 I1597 S1601 R1602 N1603E1595-S1599 PolarHBondContact O-N 2.87Å; E1595-S1599 VanDerWaalsContact O-N 3.08Å; A1596-S1599 PolarHBondContact O-N 2.97Å; I1597-S1599 VanDerWaalsContact C-N 3.31Å; I1597-S1599 PolarHBondContact O-N 2.88Å; S1599-S1601 VanDerWaalsContact C-N 3.33Å; S1599-R1602 PolarHBondContact O-N 3.39Å; S1599-R1602 PolarHBondContact OG-NH2 2.03Å; S1599-N1603 PolarHBondContact O-N 3.25Å
1600A60.8Low65.1Low47 Ų4790.9 Ų90.939%0.38851%0.508SS..Hα-helixtrans-64.5-36.8172.400000112.1A1596 I1597 N1603 F1604A1596-A1600 PolarHBondContact O-N 3.39Å; I1597-A1600 CarbonylContact O-C 3.52Å; I1597-A1600 PolarHBondContact O-N 3.19Å; A1600-N1603 PolarHBondContact O-N 3.14Å; A1600-F1604 WeakPolarHBondContact O-CB 3.2Å; A1600-F1604 PolarHBondContact O-N 2.87Å
1601S68.9Low65.2Low57 Ų5790.3 Ų90.340%0.39951%0.508SS..Hα-helixtrans-65.1-35.7174.4-72.70000111.8I1597 S1599 N1603 F1604 Q1605I1597-S1601 WeakPolarHBondContact O-CA 3.49Å; I1597-S1601 WeakPolarHBondContact O-CB 3.3Å; I1597-S1601 PolarHBondContact O-N 3.46Å; I1597-S1601 PolarHBondContact O-OG 2.65Å; S1599-S1601 VanDerWaalsContact C-N 3.33Å; S1601-N1603 VanDerWaalsContact C-N 3.35Å; S1601-F1604 CarbonylContact O-C 3.55Å; S1601-F1604 PolarHBondContact O-N 2.81Å; S1601-Q1605 VanDerWaalsContact O-CB 3.26Å; S1601-Q1605 WeakPolarHBondContact O-CB 3.01Å; S1601-Q1605 PolarHBondContact O-N 3.05Å
1602R73.6Confident65.1Low163 Ų16391.7 Ų91.762%0.61551%0.507SS*.Hα-helixtrans-64.3-39.8171.4-74.2-178.1-63.4-160.3-0.2112.1G1598 S1599 Q1605 V1606G1598-R1602 PolarHBondContact O-N 2.82Å; S1599-R1602 PolarHBondContact O-N 3.39Å; S1599-R1602 PolarHBondContact OG-NH2 2.03Å; R1602-Q1605 WeakPolarHBondContact O-CB 3.19Å; R1602-Q1605 PolarHBondContact O-N 3.02Å; R1602-V1606 WeakPolarHBondContact O-CG2 3.03Å; R1602-V1606 PolarHBondContact O-N 2.82Å
1603N65.8Low65.1Low118 Ų11893.3 Ų93.363%0.63151%0.508SS*.Hα-helixtrans-70.3-37.9176.1-65.83.3000111.8S1599 A1600 S1601 Q1605 A1607S1599-N1603 PolarHBondContact O-N 3.25Å; A1600-N1603 PolarHBondContact O-N 3.14Å; S1601-N1603 VanDerWaalsContact C-N 3.35Å; N1603-Q1605 VanDerWaalsContact C-N 3.32Å; N1603-A1607 WeakPolarHBondContact O-CB 3.02Å; N1603-A1607 PolarHBondContact O-N 3.08Å
1604F62.9Low64.9Low161 Ų16196.1 Ų96.171%0.70652%0.515SS*.Hα-helixtrans-65.4-32.5169.2-97.6-73.8000112.4A1600 S1601 S1608A1600-F1604 WeakPolarHBondContact O-CB 3.2Å; A1600-F1604 PolarHBondContact O-N 2.87Å; S1601-F1604 CarbonylContact O-C 3.55Å; S1601-F1604 PolarHBondContact O-N 2.81Å; F1604-S1608 WeakPolarHBondContact O-CA 3.4Å; F1604-S1608 WeakPolarHBondContact O-CB 3.21Å; F1604-S1608 PolarHBondContact O-N 3.48Å
1605Q70.2Confident64.4Low114 Ų11490.9 Ų90.953%0.53350%0.502SS..Hα-helixtrans-68.7-47176.3-158.181.349.300109.7S1601 R1602 N1603 A1607 S1608 D1609S1601-Q1605 VanDerWaalsContact O-CB 3.26Å; S1601-Q1605 WeakPolarHBondContact O-CB 3.01Å; S1601-Q1605 PolarHBondContact O-N 3.05Å; R1602-Q1605 WeakPolarHBondContact O-CB 3.19Å; R1602-Q1605 PolarHBondContact O-N 3.02Å; N1603-Q1605 VanDerWaalsContact C-N 3.32Å; Q1605-A1607 PolarHBondContact O-N 3.41Å; Q1605-S1608 CarbonylContact O-C 3.58Å; Q1605-S1608 PolarHBondContact O-N 3.07Å; Q1605-S1608 VanDerWaalsContact O-N 3.15Å; Q1605-D1609 WeakPolarHBondContact O-CB 3.49Å; Q1605-D1609 PolarHBondContact O-N 2.96Å
1606V68.4Low63.8Low87 Ų8789.3 Ų89.353%0.52750%0.495SS..Hα-helixtrans-60.8-45.9173.81740000110.9R1602 S1608 D1609 D1610R1602-V1606 WeakPolarHBondContact O-CG2 3.03Å; R1602-V1606 PolarHBondContact O-N 2.82Å; V1606-S1608 VanDerWaalsContact C-N 3.29Å; V1606-S1608 PolarHBondContact O-N 2.77Å; V1606-D1609 PolarHBondContact O-N 2.82Å; V1606-D1610 WeakPolarHBondContact O-CB 3.06Å; V1606-D1610 VanDerWaalsContact O-CG 3.28Å; V1606-D1610 PolarHBondContact O-N 3.48Å
1607A59.5Low63.4Low43 Ų4390.4 Ų90.436%0.35550%0.495SS..Hα-helixtrans-65.7-29.3175.700000113.3N1603 Q1605 L1611N1603-A1607 WeakPolarHBondContact O-CB 3.02Å; N1603-A1607 PolarHBondContact O-N 3.08Å; Q1605-A1607 PolarHBondContact O-N 3.41Å; A1607-L1611 VanDerWaalsContact O-CB 3.26Å; A1607-L1611 WeakPolarHBondContact O-CB 3.35Å; A1607-L1611 WeakPolarHBondContact O-CD1 3.06Å; A1607-L1611 WeakPolarHBondContact O-CG 3.23Å; A1607-L1611 PolarHBondContact O-N 2.04Å
1608S66Low62.9Low47 Ų4789.8 Ų89.833%0.32950%0.496SS..Hα-helixtrans-77.4-38.2174-166.80000111.5F1604 Q1605 V1606 D1610 L1611 D1612F1604-S1608 WeakPolarHBondContact O-CA 3.4Å; F1604-S1608 WeakPolarHBondContact O-CB 3.21Å; F1604-S1608 PolarHBondContact O-N 3.48Å; Q1605-S1608 CarbonylContact O-C 3.58Å; Q1605-S1608 PolarHBondContact O-N 3.07Å; Q1605-S1608 VanDerWaalsContact O-N 3.15Å; V1606-S1608 VanDerWaalsContact C-N 3.29Å; V1606-S1608 PolarHBondContact O-N 2.77Å; S1608-D1610 VanDerWaalsContact C-N 3.32Å; S1608-L1611 CarbonylContact O-C 3.36Å; S1608-L1611 PolarHBondContact O-N 3.34Å; S1608-D1612 WeakPolarHBondContact O-CA 3.09Å; S1608-D1612 WeakPolarHBondContact O-CB 3.49Å; S1608-D1612 VanDerWaalsContact O-CG 3.26Å; S1608-D1612 PolarHBondContact O-N 2.82Å; S1608-D1612 PolarHBondContact OG-OD2 2.74Å
1609D67.7Low61.8Low77 Ų7796 Ų9641%0.41251%0.514SS..Hα-helixtrans-67.8-36175.6-66.3-19.8000109.8Q1605 V1606 Q1613Q1605-D1609 WeakPolarHBondContact O-CB 3.49Å; Q1605-D1609 PolarHBondContact O-N 2.96Å; V1606-D1609 PolarHBondContact O-N 2.82Å; D1609-Q1613 WeakPolarHBondContact O-CB 3.39Å; D1609-Q1613 WeakPolarHBondContact O-CG 3.04Å; D1609-Q1613 PolarHBondContact O-N 2.96Å
1610D63.8Low61.3Low88 Ų88102.3 Ų102.347%0.47153%0.53SS..Hα-helixtrans-66.6-45.5169.4-72.9-26000111.1V1606 S1608 D1612 Q1613 I1614V1606-D1610 WeakPolarHBondContact O-CB 3.06Å; V1606-D1610 VanDerWaalsContact O-CG 3.28Å; V1606-D1610 PolarHBondContact O-N 3.48Å; S1608-D1610 VanDerWaalsContact C-N 3.32Å; D1610-D1612 PolarHBondContact O-N 2.68Å; D1610-Q1613 PolarHBondContact O-N 3.45Å; D1610-I1614 WeakPolarHBondContact O-CB 3.33Å; D1610-I1614 WeakPolarHBondContact O-CD1 3.31Å; D1610-I1614 WeakPolarHBondContact O-CG1 3.5Å; D1610-I1614 PolarHBondContact O-N 3.46Å
1611L60.5Low60.6Low113 Ų113104.5 Ų104.559%0.59254%0.539SS*.Hα-helixtrans-67.7-30.6175.9-77.9167.2000113.3A1607 S1608 A1615A1607-L1611 VanDerWaalsContact O-CB 3.26Å; A1607-L1611 WeakPolarHBondContact O-CB 3.35Å; A1607-L1611 WeakPolarHBondContact O-CD1 3.06Å; A1607-L1611 WeakPolarHBondContact O-CG 3.23Å; A1607-L1611 PolarHBondContact O-N 2.04Å; S1608-L1611 CarbonylContact O-C 3.36Å; S1608-L1611 PolarHBondContact O-N 3.34Å; L1611-A1615 WeakPolarHBondContact O-CB 3.27Å; L1611-A1615 PolarHBondContact O-N 3.16Å
1612D64.6Low59.5Low93 Ų93104.5 Ų104.550%0.49755%0.547SS..Hα-helixtrans-79.9-36.5176.3-79-37.3000110.5S1608 D1610 I1614 A1615 E1616S1608-D1612 WeakPolarHBondContact O-CA 3.09Å; S1608-D1612 WeakPolarHBondContact O-CB 3.49Å; S1608-D1612 VanDerWaalsContact O-CG 3.26Å; S1608-D1612 PolarHBondContact O-N 2.82Å; S1608-D1612 PolarHBondContact OG-OD2 2.74Å; D1610-D1612 PolarHBondContact O-N 2.68Å; D1612-I1614 VanDerWaalsContact C-N 3.34Å; D1612-A1615 PolarHBondContact O-N 3.07Å; D1612-E1616 WeakPolarHBondContact O-CB 3.28Å; D1612-E1616 PolarHBondContact O-N 2.8Å
1613Q62Low58.1Low134 Ų134104.9 Ų104.963%0.62656%0.556SS**Hα-helixtrans-62.2-42.3165.6-83.2-169.233.700111.2D1609 D1610 T1617D1609-Q1613 WeakPolarHBondContact O-CB 3.39Å; D1609-Q1613 WeakPolarHBondContact O-CG 3.04Å; D1609-Q1613 PolarHBondContact O-N 2.96Å; D1610-Q1613 PolarHBondContact O-N 3.45Å; Q1613-T1617 WeakPolarHBondContact O-CB 3.05Å; Q1613-T1617 PolarHBondContact O-N 3.48Å; Q1613-T1617 PolarHBondContact O-OG1 2.93Å
1614I54.1Low56.7Low103 Ų103103.2 Ų103.253%0.52855%0.551SS.*Hα-helixtrans-61.9-49.2173.6-71.6162.7000109.3D1610 D1612 E1616 T1617 T1618D1610-I1614 WeakPolarHBondContact O-CB 3.33Å; D1610-I1614 WeakPolarHBondContact O-CD1 3.31Å; D1610-I1614 WeakPolarHBondContact O-CG1 3.5Å; D1610-I1614 PolarHBondContact O-N 3.46Å; D1612-I1614 VanDerWaalsContact C-N 3.34Å; I1614-E1616 PolarHBondContact O-N 3.17Å; I1614-T1617 PolarHBondContact O-N 3.12Å; I1614-T1618 VanDerWaalsContact O-CB 3.28Å; I1614-T1618 WeakPolarHBondContact O-CB 3.32Å; I1614-T1618 PolarHBondContact O-N 3.04Å; I1614-T1618 PolarHBondContact O-OG1 3.38Å
1615A55.5Low55.5Low52 Ų52103.7 Ų103.743%0.4356%0.557SS.*Hα-helixtrans-65-39.1-179.500000113.4L1611 D1612 T1618 K1619L1611-A1615 WeakPolarHBondContact O-CB 3.27Å; L1611-A1615 PolarHBondContact O-N 3.16Å; D1612-A1615 PolarHBondContact O-N 3.07Å; A1615-T1618 PolarHBondContact O-N 3.14Å; A1615-K1619 VanDerWaalsContact O-CB 3.24Å; A1615-K1619 WeakPolarHBondContact O-CB 3.31Å; A1615-K1619 PolarHBondContact O-N 3.27Å
1616E56.8Low54Low126 Ų126106.1 Ų106.159%0.58957%0.573SS**Hα-helixtrans-76.1-32.1178.2-169.8159.7-148.800111.7D1612 I1614 K1619 R1620D1612-E1616 WeakPolarHBondContact O-CB 3.28Å; D1612-E1616 PolarHBondContact O-N 2.8Å; I1614-E1616 PolarHBondContact O-N 3.17Å; E1616-K1619 PolarHBondContact O-N 3.06Å; E1616-R1620 WeakPolarHBondContact O-CB 3.33Å; E1616-R1620 WeakPolarHBondContact O-CG 3.25Å; E1616-R1620 PolarHBondContact O-N 3.29Å
1617T51.5Low52.7Low89 Ų89106.7 Ų106.755%0.54657%0.573SS.*Hα-helixtrans-68.1-40.4168.2-56.20000111.1Q1613 I1614 K1619 T1621Q1613-T1617 WeakPolarHBondContact O-CB 3.05Å; Q1613-T1617 PolarHBondContact O-N 3.48Å; Q1613-T1617 PolarHBondContact O-OG1 2.93Å; I1614-T1617 PolarHBondContact O-N 3.12Å; T1617-K1619 VanDerWaalsContact C-N 3.33Å; T1617-T1621 WeakPolarHBondContact O-CB 3.5Å; T1617-T1621 WeakPolarHBondContact O-CG2 3.24Å; T1617-T1621 PolarHBondContact O-N 3.14Å; T1617-T1621 PolarHBondContact O-OG1 3.03Å
1618T50.4Low51.8Low90 Ų90108.2 Ų108.255%0.55258%0.581SS**Hα-helixtrans-65.6-33.8172.8-62.40000111.8I1614 A1615 T1621 G1622I1614-T1618 VanDerWaalsContact O-CB 3.28Å; I1614-T1618 WeakPolarHBondContact O-CB 3.32Å; I1614-T1618 PolarHBondContact O-N 3.04Å; I1614-T1618 PolarHBondContact O-OG1 3.38Å; A1615-T1618 PolarHBondContact O-N 3.14Å; T1618-T1621 VanDerWaalsContact CA-OG1 3.29Å; T1618-T1621 WeakPolarHBondContact CA-OG1 3.06Å; T1618-T1621 PolarHBondContact O-OG1 3.29Å; T1618-T1621 VanDerWaalsContact O-OG1 3.14Å; T1618-G1622 PolarHBondContact O-N 3.49Å
1619K49Very low50.7Low164 Ų164110.7 Ų110.771%0.71360%0.599SS**Hα-helixtrans-73.2-42.8176.2-165.4175-176.6-178.60112.3A1615 E1616 T1617 T1621 G1622A1615-K1619 VanDerWaalsContact O-CB 3.24Å; A1615-K1619 WeakPolarHBondContact O-CB 3.31Å; A1615-K1619 PolarHBondContact O-N 3.27Å; E1616-K1619 PolarHBondContact O-N 3.06Å; T1617-K1619 VanDerWaalsContact C-N 3.33Å; K1619-T1621 VanDerWaalsContact C-N 3.3Å; K1619-T1621 PolarHBondContact O-N 3.39Å; K1619-G1622 PolarHBondContact O-N 3.31Å
1620R55.4Low49.9Very low182 Ų182114.2 Ų114.269%0.68761%0.612SS**Hα-helixtrans-74.9-15.6176.2-67.5177.181172.44.2113.7E1616E1616-R1620 WeakPolarHBondContact O-CB 3.33Å; E1616-R1620 WeakPolarHBondContact O-CG 3.25Å; E1616-R1620 PolarHBondContact O-N 3.29Å
1621T45.5Very low49.1Very low94 Ų94113 Ų11358%0.57761%0.611SS**Hα-helixtrans-85.9-11169.842.40000113.6T1617 T1618 K1619T1617-T1621 WeakPolarHBondContact O-CB 3.5Å; T1617-T1621 WeakPolarHBondContact O-CG2 3.24Å; T1617-T1621 PolarHBondContact O-N 3.14Å; T1617-T1621 PolarHBondContact O-OG1 3.03Å; T1618-T1621 VanDerWaalsContact CA-OG1 3.29Å; T1618-T1621 WeakPolarHBondContact CA-OG1 3.06Å; T1618-T1621 PolarHBondContact O-OG1 3.29Å; T1618-T1621 VanDerWaalsContact O-OG1 3.14Å; K1619-T1621 VanDerWaalsContact C-N 3.3Å; K1619-T1621 PolarHBondContact O-N 3.39Å
1622G46.7Very low48.6Very low56 Ų56112.7 Ų112.758%0.57761%0.61SS**SBendtrans-75.9-15.8172.600000115.3T1618 K1619T1618-G1622 PolarHBondContact O-N 3.49Å; K1619-G1622 PolarHBondContact O-N 3.31Å
1623E44.9Very low48Very low171 Ų171113.5 Ų113.580%0.79961%0.614SS**SBendtrans-101.3-4.2-174.2-65.8-176.8150.900114.2
1624T36.3Very low47.8Very low84 Ų84115.3 Ų115.352%0.51562%0.62SS.*  trans-122.170.6-175.5-38.20000112.2D1626 L1627T1624-D1626 PolarHBondContact O-N 3.3Å; T1624-D1626 VanDerWaalsContact O-N 3.11Å; T1624-L1627 HydrophobicContact CG2-CD1 4.04Å
1625M37.4Very low47.5Very low171 Ų171115.9 Ų115.984%0.84262%0.623SS**THydrogen-bonded Turntrans-68.9-2.9-171-73.7-177.364.700116.7
1626D38.6Very low47.5Very low164 Ų164122.3 Ų122.388%0.87764%0.636SS**THydrogen-bonded Turntrans-94.7-2-176.2-78.5-33.1000115.6T1624T1624-D1626 PolarHBondContact O-N 3.3Å; T1624-D1626 VanDerWaalsContact O-N 3.11Å
1627L41.7Very low47.5Very low99 Ų99123.3 Ų123.352%0.51864%0.641SS.*  trans-106.78.4-175.5-73.1166.6000114.9T1624 S1629 Q1630T1624-L1627 HydrophobicContact CG2-CD1 4.04Å; L1627-S1629 VanDerWaalsContact C-N 3.28Å; L1627-S1629 PolarHBondContact O-N 2.03Å; L1627-S1629 VanDerWaalsContact O-N 3.1Å; L1627-Q1630 PolarHBondContact O-N 2.87Å; L1627-Q1630 VanDerWaalsContact O-N 3.16Å
1628S39.9Very low47.5Very low75 Ų75120.5 Ų120.552%0.52463%0.63SS.*Hα-helixtrans-61.2-25.9-165.5-159.20000115.6Q1630 S1631 L1632S1628-Q1630 PolarHBondContact O-N 2.95Å; S1628-S1631 PolarHBondContact O-N 3.37Å; S1628-L1632 PolarHBondContact O-N 3.16Å; S1628-L1632 VanDerWaalsContact O-N 3.08Å
1629S42.5Very low47.6Very low100 Ų100121.8 Ų121.870%0.69963%0.633SS**Hα-helixtrans-69.7-28179-162.60000113.7L1627L1627-S1629 VanDerWaalsContact C-N 3.28Å; L1627-S1629 PolarHBondContact O-N 2.03Å; L1627-S1629 VanDerWaalsContact O-N 3.1Å
1630Q51.5Low47.9Very low150 Ų150120.9 Ų120.970%0.70163%0.628SS**Hα-helixtrans-79.9-32.4172.5-67.4-174.63.400111.8L1627 S1628 N1633 K1634L1627-Q1630 PolarHBondContact O-N 2.87Å; L1627-Q1630 VanDerWaalsContact O-N 3.16Å; S1628-Q1630 PolarHBondContact O-N 2.95Å; Q1630-N1633 PolarHBondContact O-N 2.81Å; Q1630-K1634 PolarHBondContact O-N 2.77Å
1631S46.1Very low47.9Very low63 Ų63118.7 Ų118.744%0.44162%0.624SS.*Hα-helixtrans-66.7-35.2176.4-600000112.8S1628 N1633 K1634 L1635S1628-S1631 PolarHBondContact O-N 3.37Å; S1631-N1633 VanDerWaalsContact C-N 3.33Å; S1631-N1633 PolarHBondContact O-N 3.11Å; S1631-K1634 PolarHBondContact O-N 3.28Å; S1631-L1635 WeakPolarHBondContact O-CB 3.42Å; S1631-L1635 PolarHBondContact O-N 2.89Å
1632L49.6Very low48.3Very low107 Ų107118.4 Ų118.456%0.5662%0.622SS**Hα-helixtrans-60.7-36.4176.9-90161.8000113.7S1628 L1635 R1636S1628-L1632 PolarHBondContact O-N 3.16Å; S1628-L1632 VanDerWaalsContact O-N 3.08Å; L1632-L1635 PolarHBondContact O-N 3Å; L1632-R1636 PolarHBondContact O-N 3.03Å; L1632-R1636 VanDerWaalsContact O-N 3.1Å
1633N53.8Low48.6Very low109 Ų109120.7 Ų120.758%0.58362%0.618SS**Hα-helixtrans-73.1-37174.8-79.8-31000112.4Q1630 S1631 L1635 R1636 E1637Q1630-N1633 PolarHBondContact O-N 2.81Å; S1631-N1633 VanDerWaalsContact C-N 3.33Å; S1631-N1633 PolarHBondContact O-N 3.11Å; N1633-L1635 VanDerWaalsContact C-N 3.31Å; N1633-L1635 PolarHBondContact O-N 3.12Å; N1633-R1636 PolarHBondContact O-N 3.42Å; N1633-E1637 PolarHBondContact O-N 2.94Å; N1633-E1637 VanDerWaalsContact O-N 3.07Å
1634K56.2Low49Very low173 Ų173116.6 Ų116.675%0.75260%0.604SS**Hα-helixtrans-63.5-35.7170.5-79.6-175.5173.1-179.80112.5Q1630 S1631 R1636 E1637 G1638Q1630-K1634 PolarHBondContact O-N 2.77Å; S1631-K1634 PolarHBondContact O-N 3.28Å; K1634-R1636 VanDerWaalsContact C-N 3.32Å; K1634-E1637 PolarHBondContact O-N 2.03Å; K1634-G1638 PolarHBondContact O-N 3.22Å
1635L48.4Very low50Low115 Ų115116.5 Ų116.560%0.60260%0.598SS**Hα-helixtrans-67-34.6175.6-163.170.4000111.6S1631 L1632 N1633 G1638 L1639S1631-L1635 WeakPolarHBondContact O-CB 3.42Å; S1631-L1635 PolarHBondContact O-N 2.89Å; L1632-L1635 PolarHBondContact O-N 3Å; N1633-L1635 VanDerWaalsContact C-N 3.31Å; N1633-L1635 PolarHBondContact O-N 3.12Å; L1635-G1638 PolarHBondContact O-N 3.29Å; L1635-L1639 PolarHBondContact O-N 3.07Å
1636R55.5Low51Low187 Ų187117 Ų11771%0.70659%0.591SS**Hα-helixtrans-70.3-37.2175.5-159.2175.6-165.7162.15.7113.1L1632 N1633 K1634 K1640L1632-R1636 PolarHBondContact O-N 3.03Å; L1632-R1636 VanDerWaalsContact O-N 3.1Å; N1633-R1636 PolarHBondContact O-N 3.42Å; K1634-R1636 VanDerWaalsContact C-N 3.32Å; R1636-K1640 PolarHBondContact O-N 3.24Å
1637E56.8Low51.8Low147 Ų147111.8 Ų111.869%0.68756%0.563SS**Hα-helixtrans-67-41.2168.6-72.2-113.9122.200111.7N1633 K1634 L1639 K1640 K1641N1633-E1637 PolarHBondContact O-N 2.94Å; N1633-E1637 VanDerWaalsContact O-N 3.07Å; K1634-E1637 PolarHBondContact O-N 2.03Å; E1637-L1639 VanDerWaalsContact C-N 3.32Å; E1637-L1639 PolarHBondContact O-N 3.29Å; E1637-K1640 PolarHBondContact O-N 3.42Å; E1637-K1641 PolarHBondContact O-N 3.41Å; E1637-K1641 VanDerWaalsContact O-N 3.11Å
1638G50.9Low52.6Low30 Ų30112.2 Ų112.231%0.30956%0.563SS.*Hα-helixtrans-59-40.217500000113K1634 L1635 K1641 V1642K1634-G1638 PolarHBondContact O-N 3.22Å; L1635-G1638 PolarHBondContact O-N 3.29Å; G1638-K1641 WeakPolarHBondContact O-CB 3.04Å; G1638-K1641 PolarHBondContact O-N 2.74Å; G1638-K1641 VanDerWaalsContact O-N 3.11Å; G1638-V1642 WeakPolarHBondContact O-CG2 3.12Å; G1638-V1642 PolarHBondContact O-N 2.94Å
1639L52.6Low53.5Low117 Ų117113.6 Ų113.661%0.61356%0.563SS**Hα-helixtrans-61-44.4175.6-104150.2000112.8L1635 E1637 K1641 V1642 E1643L1635-L1639 PolarHBondContact O-N 3.07Å; E1637-L1639 VanDerWaalsContact C-N 3.32Å; E1637-L1639 PolarHBondContact O-N 3.29Å; L1639-K1641 PolarHBondContact O-N 3.41Å; L1639-V1642 PolarHBondContact O-N 3.25Å; L1639-E1643 WeakPolarHBondContact O-CB 3.38Å; L1639-E1643 PolarHBondContact O-N 2.85Å
1640K55.6Low54.4Low144 Ų144110.8 Ų110.863%0.62655%0.55SS**Hα-helixtrans-61.3-33.4172.1-81.2-171.7168.4-169.50112.9R1636 E1637 E1643 V1644R1636-K1640 PolarHBondContact O-N 3.24Å; E1637-K1640 PolarHBondContact O-N 3.42Å; K1640-E1643 WeakPolarHBondContact O-CB 3.47Å; K1640-V1644 PolarHBondContact O-N 3.36Å
1641K56.4Low54.8Low136 Ų136107.8 Ų107.859%0.59153%0.534SS*.Hα-helixtrans-71.1-43.2178.2-157.2-174177.1-155.60111.6E1637 G1638 L1639 E1643 V1644 E1645E1637-K1641 PolarHBondContact O-N 3.41Å; E1637-K1641 VanDerWaalsContact O-N 3.11Å; G1638-K1641 WeakPolarHBondContact O-CB 3.04Å; G1638-K1641 PolarHBondContact O-N 2.74Å; G1638-K1641 VanDerWaalsContact O-N 3.11Å; L1639-K1641 PolarHBondContact O-N 3.41Å; K1641-E1643 VanDerWaalsContact C-N 3.28Å; K1641-E1643 PolarHBondContact O-N 2.94Å; K1641-V1644 PolarHBondContact O-N 2.6Å; K1641-E1645 VanDerWaalsContact CE-OE1 3.27Å; K1641-E1645 WeakPolarHBondContact CE-OE1 3.04Å; K1641-E1645 IonicContact NZ-OE1 3.54Å; K1641-E1645 WeakPolarHBondContact O-CB 3.18Å; K1641-E1645 WeakPolarHBondContact O-CG 3.34Å; K1641-E1645 PolarHBondContact O-N 3.35Å
1642V52.4Low55.5Low88 Ų88108.1 Ų108.153%0.53353%0.531SS..Hα-helixtrans-62.5-33.9173.7171.60000111.9G1638 L1639 E1645 Y1646G1638-V1642 WeakPolarHBondContact O-CG2 3.12Å; G1638-V1642 PolarHBondContact O-N 2.94Å; L1639-V1642 PolarHBondContact O-N 3.25Å; V1642-E1645 PolarHBondContact O-N 2.03Å; V1642-Y1646 WeakPolarHBondContact O-CB 3.4Å; V1642-Y1646 PolarHBondContact O-N 3.49Å
1643E52.9Low56Low105 Ų105106.8 Ų106.849%0.49153%0.527SS..Hα-helixtrans-62.9-42.8177.1-167.6169.7-142.900112.5L1639 K1640 K1641L1639-E1643 WeakPolarHBondContact O-CB 3.38Å; L1639-E1643 PolarHBondContact O-N 2.85Å; K1640-E1643 WeakPolarHBondContact O-CB 3.47Å; K1641-E1643 VanDerWaalsContact C-N 3.28Å; K1641-E1643 PolarHBondContact O-N 2.94Å
1644V54.5Low56.3Low84 Ų84107.9 Ų107.951%0.50953%0.529SS..Hα-helixtrans-72.6-44.9173178.90000111.3K1640 K1641 Y1646 L1647 Q1648K1640-V1644 PolarHBondContact O-N 3.36Å; K1641-V1644 PolarHBondContact O-N 2.6Å; V1644-Y1646 VanDerWaalsContact C-N 3.28Å; V1644-Y1646 PolarHBondContact O-N 3.42Å; V1644-L1647 PolarHBondContact O-N 2.78Å; V1644-Q1648 WeakPolarHBondContact O-CB 3.38Å; V1644-Q1648 PolarHBondContact O-N 3.05Å
1645E57.7Low56.6Low82 Ų82107 Ų10738%0.38352%0.521SS..Hα-helixtrans-58.8-37.1178.8-75.7171.1-174.300111.6K1641 V1642 L1647 Q1648 I1649K1641-E1645 VanDerWaalsContact CE-OE1 3.27Å; K1641-E1645 WeakPolarHBondContact CE-OE1 3.04Å; K1641-E1645 IonicContact NZ-OE1 3.54Å; K1641-E1645 WeakPolarHBondContact O-CB 3.18Å; K1641-E1645 WeakPolarHBondContact O-CG 3.34Å; K1641-E1645 PolarHBondContact O-N 3.35Å; V1642-E1645 PolarHBondContact O-N 2.03Å; E1645-L1647 PolarHBondContact O-N 3.16Å; E1645-Q1648 PolarHBondContact O-N 2.84Å; E1645-I1649 VanDerWaalsContact O-CB 3.27Å; E1645-I1649 WeakPolarHBondContact O-CB 3.37Å; E1645-I1649 WeakPolarHBondContact O-CD1 3.03Å; E1645-I1649 WeakPolarHBondContact O-CG1 3.3Å; E1645-I1649 PolarHBondContact O-N 3.18Å
1646Y58.2Low56.9Low181 Ų181104.2 Ų104.271%0.7152%0.515SS*.Hα-helixtrans-61.1-44.1177.8-176.1-98.5000113.3V1642 V1644 G1650V1642-Y1646 WeakPolarHBondContact O-CB 3.4Å; V1642-Y1646 PolarHBondContact O-N 3.49Å; V1644-Y1646 VanDerWaalsContact C-N 3.28Å; V1644-Y1646 PolarHBondContact O-N 3.42Å; Y1646-G1650 PolarHBondContact O-N 2.91Å; Y1646-G1650 VanDerWaalsContact O-N 3.15Å
1647L54.5Low57.1Low56 Ų5699.9 Ų99.929%0.29351%0.505SS..Hα-helixtrans-73.9-32.8178.2-63.6169.6000111.8F1427 A1431 V1644 E1645 G1650 K1651F1427-L1647 HydrophobicContact CE1-CB 4.32Å; F1427-L1647 HydrophobicContact CE1-CD1 4.4Å; F1427-L1647 HydrophobicContact CE2-CB 3.98Å; F1427-L1647 HydrophobicContact CZ-CB 3.44Å; F1427-L1647 VanDerWaalsContact CZ-CB 3.44Å; F1427-L1647 HydrophobicContact CZ-CD1 4.2Å; F1427-L1647 HydrophobicContact CZ-CG 4.41Å; A1431-L1647 HydrophobicContact CB-CD1 3.81Å; V1644-L1647 PolarHBondContact O-N 2.78Å; E1645-L1647 PolarHBondContact O-N 3.16Å; L1647-G1650 PolarHBondContact O-N 3.12Å; L1647-K1651 PolarHBondContact O-N 2.76Å
1648Q58.4Low57.4Low108 Ų10898.7 Ų98.751%0.50550%0.503SS..Hα-helixtrans-71-40.5176.8-161.1159.1-5.500111.5V1644 E1645 G1650 K1651 D1652V1644-Q1648 WeakPolarHBondContact O-CB 3.38Å; V1644-Q1648 PolarHBondContact O-N 3.05Å; E1645-Q1648 PolarHBondContact O-N 2.84Å; Q1648-G1650 PolarHBondContact O-N 2.85Å; Q1648-K1651 PolarHBondContact O-N 3.47Å; Q1648-D1652 WeakPolarHBondContact O-CB 3.15Å; Q1648-D1652 PolarHBondContact O-N 3.41Å
1649I59.7Low57.8Low104 Ų104101.5 Ų101.553%0.53351%0.514SS..Hα-helixtrans-55.6-38.5166.5-72.8162.5000110.5E1645 D1652 V1653E1645-I1649 VanDerWaalsContact O-CB 3.27Å; E1645-I1649 WeakPolarHBondContact O-CB 3.37Å; E1645-I1649 WeakPolarHBondContact O-CD1 3.03Å; E1645-I1649 WeakPolarHBondContact O-CG1 3.3Å; E1645-I1649 PolarHBondContact O-N 3.18Å; I1649-D1652 PolarHBondContact O-N 2.8Å; I1649-V1653 HydrophobicContact CG2-CG2 4.17Å; I1649-V1653 VanDerWaalsContact O-CB 3.23Å; I1649-V1653 WeakPolarHBondContact O-CB 3.49Å; I1649-V1653 WeakPolarHBondContact O-CG2 3.44Å; I1649-V1653 PolarHBondContact O-N 3.31Å
1650G61Low57.8Low41 Ų4198.5 Ų98.542%0.42350%0.503SS..Hα-helixtrans-57.3-51.3173.900000113.6Y1646 L1647 Q1648 V1653 E1654Y1646-G1650 PolarHBondContact O-N 2.91Å; Y1646-G1650 VanDerWaalsContact O-N 3.15Å; L1647-G1650 PolarHBondContact O-N 3.12Å; Q1648-G1650 PolarHBondContact O-N 2.85Å; G1650-V1653 PolarHBondContact O-N 2.83Å; G1650-E1654 PolarHBondContact O-N 3.05Å; G1650-E1654 VanDerWaalsContact O-N 3.13Å
1651K59.6Low58.2Low86 Ų8694.6 Ų94.637%0.37449%0.489SS..Hα-helixtrans-71.2-33.5177.7-88.7-176.9174173.60113.3F1427 L1647 Q1648 E1654 R1655F1427-K1651 HydrophobicContact CD2-CD 4.31Å; F1427-K1651 HydrophobicContact CE2-CD 4.18Å; L1647-K1651 PolarHBondContact O-N 2.76Å; Q1648-K1651 PolarHBondContact O-N 3.47Å; K1651-E1654 PolarHBondContact O-N 3.44Å; K1651-R1655 PolarHBondContact O-N 2.92Å
1652D60.4Low58.3Low70 Ų7092.4 Ų92.437%0.37449%0.487SS..Hα-helixtrans-75-28.5175.8-74-27.4000111.8Q1648 I1649 R1655 A1656Q1648-D1652 WeakPolarHBondContact O-CB 3.15Å; Q1648-D1652 PolarHBondContact O-N 3.41Å; I1649-D1652 PolarHBondContact O-N 2.8Å; D1652-R1655 IonicContact OD1-CZ 3Å; D1652-R1655 IonicContact OD1-NH1 3.23Å; D1652-R1655 PolarHBondContact OD1-NH1 3.46Å; D1652-R1655 IonicContact OD1-NH2 2.91Å; D1652-A1656 WeakPolarHBondContact O-CA 3.06Å; D1652-A1656 WeakPolarHBondContact O-CB 3.39Å; D1652-A1656 PolarHBondContact O-N 2.87Å
1653V60.9Low58.4Low79 Ų7991.2 Ų91.248%0.47948%0.482SS..Hα-helixtrans-64.4-39.9166.3162.90000111I1649 G1650 A1656 L1657I1649-V1653 HydrophobicContact CG2-CG2 4.17Å; I1649-V1653 VanDerWaalsContact O-CB 3.23Å; I1649-V1653 WeakPolarHBondContact O-CB 3.49Å; I1649-V1653 WeakPolarHBondContact O-CG2 3.44Å; I1649-V1653 PolarHBondContact O-N 3.31Å; G1650-V1653 PolarHBondContact O-N 2.83Å; V1653-A1656 CarbonylContact O-C 3.39Å; V1653-A1656 PolarHBondContact O-N 3.42Å; V1653-L1657 HydrophobicContact CG1-CD1 4.04Å; V1653-L1657 WeakPolarHBondContact O-CB 3.21Å; V1653-L1657 VanDerWaalsContact O-CG 3.24Å; V1653-L1657 WeakPolarHBondContact O-CG 3.32Å; V1653-L1657 PolarHBondContact O-N 2.92Å
1654E59.9Low58.7Low132 Ų13292.2 Ų92.262%0.61748%0.482SS*.Hα-helixtrans-67.6-42.8175.3-169.9176.9-146.400112.4G1650 K1651 L1657 L1658G1650-E1654 PolarHBondContact O-N 3.05Å; G1650-E1654 VanDerWaalsContact O-N 3.13Å; K1651-E1654 PolarHBondContact O-N 3.44Å; E1654-L1657 WeakPolarHBondContact O-CB 3.22Å; E1654-L1657 PolarHBondContact O-N 3.27Å; E1654-L1658 PolarHBondContact O-N 3.13Å
1655R61.4Low59Low155 Ų15594.4 Ų94.459%0.58549%0.486SS*.Hα-helixtrans-67.9-37.4175.2-155.7-176-61.5132.26.4111.7K1651 D1652 L1657 L1658 V1659K1651-R1655 PolarHBondContact O-N 2.92Å; D1652-R1655 IonicContact OD1-CZ 3Å; D1652-R1655 IonicContact OD1-NH1 3.23Å; D1652-R1655 PolarHBondContact OD1-NH1 3.46Å; D1652-R1655 IonicContact OD1-NH2 2.91Å; R1655-L1657 VanDerWaalsContact C-N 3.35Å; R1655-L1658 WeakPolarHBondContact O-CB 3.19Å; R1655-L1658 PolarHBondContact O-N 3.09Å; R1655-V1659 PolarHBondContact O-N 2.93Å; R1655-V1659 VanDerWaalsContact O-N 3.1Å
1656A55.9Low59Low57 Ų5798 Ų9847%0.47150%0.501SS..Hα-helixtrans-66.9-33.6170.900000111.8D1652 V1653 S1660D1652-A1656 WeakPolarHBondContact O-CA 3.06Å; D1652-A1656 WeakPolarHBondContact O-CB 3.39Å; D1652-A1656 PolarHBondContact O-N 2.87Å; V1653-A1656 CarbonylContact O-C 3.39Å; V1653-A1656 PolarHBondContact O-N 3.42Å; A1656-S1660 WeakPolarHBondContact O-CA 3.48Å; A1656-S1660 WeakPolarHBondContact O-CB 3.36Å; A1656-S1660 PolarHBondContact O-N 2.9Å
1657L60Low58.7Low95 Ų9594.2 Ų94.250%0.49749%0.491SS..Hα-helixtrans-64.5-37.8171.4-83.8162.3000111.6V1653 E1654 R1655 N1661V1653-L1657 HydrophobicContact CG1-CD1 4.04Å; V1653-L1657 WeakPolarHBondContact O-CB 3.21Å; V1653-L1657 VanDerWaalsContact O-CG 3.24Å; V1653-L1657 WeakPolarHBondContact O-CG 3.32Å; V1653-L1657 PolarHBondContact O-N 2.92Å; E1654-L1657 WeakPolarHBondContact O-CB 3.22Å; E1654-L1657 PolarHBondContact O-N 3.27Å; R1655-L1657 VanDerWaalsContact C-N 3.35Å; L1657-N1661 WeakPolarHBondContact O-CB 3.45Å; L1657-N1661 VanDerWaalsContact O-CG 3.22Å; L1657-N1661 PolarHBondContact O-N 3.22Å; L1657-N1661 PolarHBondContact O-ND2 2.83Å; L1657-N1661 VanDerWaalsContact O-ND2 3.15Å
1658L61.5Low59.1Low122 Ų12295.7 Ų95.764%0.63950%0.496SS*.Hα-helixtrans-65.2-49.6174.9-158.590.7000111.9E1654 R1655 S1660 N1661 T1662E1654-L1658 PolarHBondContact O-N 3.13Å; R1655-L1658 WeakPolarHBondContact O-CB 3.19Å; R1655-L1658 PolarHBondContact O-N 3.09Å; L1658-S1660 VanDerWaalsContact C-N 3.33Å; L1658-N1661 WeakPolarHBondContact O-CB 3.43Å; L1658-N1661 PolarHBondContact O-N 2.88Å; L1658-T1662 PolarHBondContact O-N 3.29Å; L1658-T1662 PolarHBondContact O-OG1 3.41Å; L1658-T1662 VanDerWaalsContact O-OG1 3.13Å
1659V60.1Low59.1Low89 Ų8997.1 Ų97.154%0.53950%0.503SS..Hα-helixtrans-68.7-33.2177.3176.70000111.8R1655 T1662 S1663R1655-V1659 PolarHBondContact O-N 2.93Å; R1655-V1659 VanDerWaalsContact O-N 3.1Å; V1659-T1662 PolarHBondContact O-N 3.44Å; V1659-S1663 WeakPolarHBondContact O-CB 3.29Å; V1659-S1663 PolarHBondContact O-N 3.01Å; V1659-S1663 PolarHBondContact O-OG 3.03Å; V1659-S1663 VanDerWaalsContact O-OG 3.08Å
1660S53.8Low58.8Low55 Ų5596.6 Ų96.639%0.38551%0.505SS..Hα-helixtrans-63.1-40.8170.7179.60000110.3A1656 L1658 T1662 S1663 R1664A1656-S1660 WeakPolarHBondContact O-CA 3.48Å; A1656-S1660 WeakPolarHBondContact O-CB 3.36Å; A1656-S1660 PolarHBondContact O-N 2.9Å; L1658-S1660 VanDerWaalsContact C-N 3.33Å; S1660-T1662 PolarHBondContact O-N 3.4Å; S1660-S1663 CarbonylContact O-C 3.54Å; S1660-S1663 PolarHBondContact O-N 2.87Å; S1660-R1664 WeakPolarHBondContact O-CA 3.06Å; S1660-R1664 WeakPolarHBondContact O-CB 3.42Å; S1660-R1664 PolarHBondContact O-N 3.05Å
1661N63Low58.7Low62 Ų6297.1 Ų97.133%0.33250%0.496SS..Hα-helixtrans-63-41.1175.7-78.7-36.2000112.9L1657 L1658 R1664 Q1665L1657-N1661 WeakPolarHBondContact O-CB 3.45Å; L1657-N1661 VanDerWaalsContact O-CG 3.22Å; L1657-N1661 PolarHBondContact O-N 3.22Å; L1657-N1661 PolarHBondContact O-ND2 2.83Å; L1657-N1661 VanDerWaalsContact O-ND2 3.15Å; L1658-N1661 WeakPolarHBondContact O-CB 3.43Å; L1658-N1661 PolarHBondContact O-N 2.88Å; N1661-R1664 WeakPolarHBondContact O-CB 3.22Å; N1661-R1664 PolarHBondContact O-N 2.8Å; N1661-R1664 PolarHBondContact OD1-NE 2.79Å; N1661-R1664 PolarHBondContact OD1-NH1 2.92Å; N1661-R1664 PolarHBondContact OD1-NH2 3.19Å; N1661-Q1665 PolarHBondContact O-N 3.14Å; N1661-Q1665 VanDerWaalsContact O-N 3.16Å
1662T59.4Low58.9Low90 Ų9098.9 Ų98.955%0.55251%0.505SS*.Hα-helixtrans-69.9-39176.2-27.10000111.9L1658 V1659 S1660 R1664 Q1665L1658-T1662 PolarHBondContact O-N 3.29Å; L1658-T1662 PolarHBondContact O-OG1 3.41Å; L1658-T1662 VanDerWaalsContact O-OG1 3.13Å; V1659-T1662 PolarHBondContact O-N 3.44Å; S1660-T1662 PolarHBondContact O-N 3.4Å; T1662-R1664 VanDerWaalsContact C-N 3.3Å; T1662-Q1665 PolarHBondContact O-N 2.03Å
1663S53.3Low58.9Low63 Ų63105.2 Ų105.244%0.44152%0.524SS..Hα-helixtrans-66.8-32.8170.9-64.30000111.8V1659 S1660 Q1665 K1666 M1667V1659-S1663 WeakPolarHBondContact O-CB 3.29Å; V1659-S1663 PolarHBondContact O-N 3.01Å; V1659-S1663 PolarHBondContact O-OG 3.03Å; V1659-S1663 VanDerWaalsContact O-OG 3.08Å; S1660-S1663 CarbonylContact O-C 3.54Å; S1660-S1663 PolarHBondContact O-N 2.87Å; S1663-Q1665 VanDerWaalsContact C-N 3.32Å; S1663-Q1665 PolarHBondContact O-N 3.48Å; S1663-K1666 PolarHBondContact O-N 2.6Å; S1663-M1667 WeakPolarHBondContact O-CB 3.42Å; S1663-M1667 VanDerWaalsContact O-CG 3.31Å; S1663-M1667 WeakPolarHBondContact O-CG 3.27Å; S1663-M1667 PolarHBondContact O-N 2.87Å
1664R58.6Low58.8Low125 Ų125106.8 Ų106.847%0.47252%0.521SS..Hα-helixtrans-67.6-28.9178.4-173.3177.674.1174.63.1111.7S1660 N1661 T1662 M1667 Q1668S1660-R1664 WeakPolarHBondContact O-CA 3.06Å; S1660-R1664 WeakPolarHBondContact O-CB 3.42Å; S1660-R1664 PolarHBondContact O-N 3.05Å; N1661-R1664 WeakPolarHBondContact O-CB 3.22Å; N1661-R1664 PolarHBondContact O-N 2.8Å; N1661-R1664 PolarHBondContact OD1-NE 2.79Å; N1661-R1664 PolarHBondContact OD1-NH1 2.92Å; N1661-R1664 PolarHBondContact OD1-NH2 3.19Å; T1662-R1664 VanDerWaalsContact C-N 3.3Å; R1664-M1667 HydrophobicContact CB-CE 4.43Å; R1664-Q1668 WeakPolarHBondContact O-CB 3.32Å; R1664-Q1668 VanDerWaalsContact O-CD 3.32Å; R1664-Q1668 WeakPolarHBondContact O-CG 3.02Å; R1664-Q1668 PolarHBondContact O-N 3.31Å; R1664-Q1668 PolarHBondContact O-OE1 3.46Å
1665Q62.4Low59Low131 Ų131104.8 Ų104.861%0.61251%0.511SS*.Hα-helixtrans-71.1-43.9171.2-74.9-178.2-31.200112.7N1661 T1662 S1663 Q1668 E1669N1661-Q1665 PolarHBondContact O-N 3.14Å; N1661-Q1665 VanDerWaalsContact O-N 3.16Å; T1662-Q1665 PolarHBondContact O-N 2.03Å; S1663-Q1665 VanDerWaalsContact C-N 3.32Å; S1663-Q1665 PolarHBondContact O-N 3.48Å; Q1665-Q1668 WeakPolarHBondContact O-CB 3.32Å; Q1665-Q1668 PolarHBondContact O-N 3.32Å; Q1665-E1669 PolarHBondContact O-N 3.33Å
1666K57.2Low59.1Low158 Ų158101.4 Ų101.469%0.68751%0.508SS*.Hα-helixtrans-72.5-31.6174.8-85.8178.3173.4173.80113.3S1663 T1670S1663-K1666 PolarHBondContact O-N 2.6Å; K1666-T1670 WeakPolarHBondContact O-CB 3.31Å; K1666-T1670 PolarHBondContact O-N 2.9Å; K1666-T1670 PolarHBondContact O-OG1 2.85Å
1667M52.5Low59.3Low100 Ų100101.7 Ų101.749%0.49350%0.501SS..Hα-helixtrans-60.8-53.4163.6-73.1-164.2-49.800108.3S1663 R1664 E1669 T1670 E1671S1663-M1667 WeakPolarHBondContact O-CB 3.42Å; S1663-M1667 VanDerWaalsContact O-CG 3.31Å; S1663-M1667 WeakPolarHBondContact O-CG 3.27Å; S1663-M1667 PolarHBondContact O-N 2.87Å; R1664-M1667 HydrophobicContact CB-CE 4.43Å; M1667-E1669 VanDerWaalsContact C-N 3.34Å; M1667-E1669 PolarHBondContact O-N 2.02Å; M1667-E1669 VanDerWaalsContact O-N 3.15Å; M1667-T1670 CarbonylContact O-C 3.52Å; M1667-T1670 WeakPolarHBondContact O-CA 3.42Å; M1667-T1670 WeakPolarHBondContact O-CB 3.47Å; M1667-T1670 PolarHBondContact O-N 2.82Å; M1667-E1671 WeakPolarHBondContact O-CA 3.05Å; M1667-E1671 WeakPolarHBondContact O-CB 3.47Å; M1667-E1671 PolarHBondContact O-N 3.09Å
1668Q62Low59.2Low87 Ų8798.6 Ų98.641%0.40748%0.484SS..Hα-helixtrans-48.6-44-179.2-84.1162.6-1300114.5R1664 Q1665 E1671 E1672R1664-Q1668 WeakPolarHBondContact O-CB 3.32Å; R1664-Q1668 VanDerWaalsContact O-CD 3.32Å; R1664-Q1668 WeakPolarHBondContact O-CG 3.02Å; R1664-Q1668 PolarHBondContact O-N 3.31Å; R1664-Q1668 PolarHBondContact O-OE1 3.46Å; Q1665-Q1668 WeakPolarHBondContact O-CB 3.32Å; Q1665-Q1668 PolarHBondContact O-N 3.32Å; Q1668-E1671 CarbonylContact O-C 3.57Å; Q1668-E1671 PolarHBondContact O-N 2.88Å; Q1668-E1672 WeakPolarHBondContact O-CG 3.35Å; Q1668-E1672 PolarHBondContact O-N 2.83Å
1669E58.8Low59.4Low138 Ų13898.6 Ų98.665%0.64548%0.48SS*.Hα-helixtrans-66.6-44.8172.9-75.5-173.612400113.3Q1665 M1667 E1671 E1672 R1673Q1665-E1669 PolarHBondContact O-N 3.33Å; M1667-E1669 VanDerWaalsContact C-N 3.34Å; M1667-E1669 PolarHBondContact O-N 2.02Å; M1667-E1669 VanDerWaalsContact O-N 3.15Å; E1669-E1671 PolarHBondContact O-N 3.23Å; E1669-E1672 PolarHBondContact O-N 3.13Å; E1669-R1673 PolarHBondContact O-N 2.03Å
1670T53.7Low59.5Low94 Ų94103.1 Ų103.158%0.57749%0.488SS*.Hα-helixtrans-66.2-29.9176.7-49.80000110.8K1666 M1667 R1673 R1674K1666-T1670 WeakPolarHBondContact O-CB 3.31Å; K1666-T1670 PolarHBondContact O-N 2.9Å; K1666-T1670 PolarHBondContact O-OG1 2.85Å; M1667-T1670 CarbonylContact O-C 3.52Å; M1667-T1670 WeakPolarHBondContact O-CA 3.42Å; M1667-T1670 WeakPolarHBondContact O-CB 3.47Å; M1667-T1670 PolarHBondContact O-N 2.82Å; T1670-R1673 PolarHBondContact O-N 3.04Å; T1670-R1674 WeakPolarHBondContact O-CB 3.44Å; T1670-R1674 PolarHBondContact O-N 3.44Å
1671E57.7Low59.7Low51 Ų51104.1 Ų104.124%0.23848%0.484CS..Hα-helixtrans-85.7-16.6-177.3-176.1155.9-13100111.6M1667 Q1668 E1669 R1674 K1675M1667-E1671 WeakPolarHBondContact O-CA 3.05Å; M1667-E1671 WeakPolarHBondContact O-CB 3.47Å; M1667-E1671 PolarHBondContact O-N 3.09Å; Q1668-E1671 CarbonylContact O-C 3.57Å; Q1668-E1671 PolarHBondContact O-N 2.88Å; E1669-E1671 PolarHBondContact O-N 3.23Å; E1671-R1674 IonicContact OE1-CZ 3.05Å; E1671-R1674 IonicContact OE1-NE 3.84Å; E1671-R1674 IonicContact OE1-NH2 3.33Å; E1671-R1674 PolarHBondContact OE1-NH2 3.09Å; E1671-K1675 WeakPolarHBondContact O-CA 3.36Å; E1671-K1675 WeakPolarHBondContact O-CB 3.36Å; E1671-K1675 WeakPolarHBondContact O-CD 3.36Å; E1671-K1675 WeakPolarHBondContact O-CG 3.48Å; E1671-K1675 PolarHBondContact O-N 2.99Å
1672E64.3Low59.5Low123 Ų123104.5 Ų104.558%0.57548%0.482SS*.Hα-helixtrans-72.7-44.1162.5-83.4-177168.800111.2Q1668 E1669 R1674 K1675 T1676Q1668-E1672 WeakPolarHBondContact O-CG 3.35Å; Q1668-E1672 PolarHBondContact O-N 2.83Å; E1669-E1672 PolarHBondContact O-N 3.13Å; E1672-R1674 VanDerWaalsContact C-N 3.35Å; E1672-K1675 CarbonylContact O-C 3.54Å; E1672-K1675 WeakPolarHBondContact O-CA 3.12Å; E1672-K1675 WeakPolarHBondContact O-CB 3.43Å; E1672-K1675 PolarHBondContact O-N 3.12Å; E1672-K1675 VanDerWaalsContact O-N 3.1Å; E1672-T1676 PolarHBondContact O-N 3.12Å; E1672-T1676 PolarHBondContact O-OG1 3.31Å; E1672-T1676 VanDerWaalsContact O-OG1 3.11Å
1673R61.1Low59.6Low204 Ų204105.6 Ų105.677%0.7748%0.481SS*.Hα-helixtrans-69.5-35.2172.3-67-177.7178.4177.61112E1669 T1670 K1675 L1677E1669-R1673 PolarHBondContact O-N 2.03Å; T1670-R1673 PolarHBondContact O-N 3.04Å; R1673-K1675 VanDerWaalsContact C-N 3.33Å; R1673-L1677 PolarHBondContact O-N 3.33Å
1674R58.8Low59.7Low111 Ų111102.8 Ų102.842%0.41946%0.462SS..Hα-helixtrans-62.2-40.4166.6-155.4179.471.471.46.3110.3T1670 E1671 E1672 L1677 E1678T1670-R1674 WeakPolarHBondContact O-CB 3.44Å; T1670-R1674 PolarHBondContact O-N 3.44Å; E1671-R1674 IonicContact OE1-CZ 3.05Å; E1671-R1674 IonicContact OE1-NE 3.84Å; E1671-R1674 IonicContact OE1-NH2 3.33Å; E1671-R1674 PolarHBondContact OE1-NH2 3.09Å; E1672-R1674 VanDerWaalsContact C-N 3.35Å; R1674-L1677 PolarHBondContact O-N 2.91Å; R1674-E1678 HydrophobicContact CG-CG 4.43Å; R1674-E1678 IonicContact CZ-OE1 2.83Å; R1674-E1678 VanDerWaalsContact CZ-OE1 3.29Å; R1674-E1678 IonicContact CZ-OE2 2.7Å; R1674-E1678 IonicContact NH1-OE1 3.31Å; R1674-E1678 PolarHBondContact NH1-OE1 2.78Å; R1674-E1678 IonicContact NH1-OE2 2.61Å; R1674-E1678 IonicContact NH2-OE1 3.48Å; R1674-E1678 PolarHBondContact NH2-OE1 2.86Å; R1674-E1678 IonicContact NH2-OE2 2.73Å; R1674-E1678 WeakPolarHBondContact O-CA 3.37Å; R1674-E1678 WeakPolarHBondContact O-CB 3.49Å; R1674-E1678 VanDerWaalsContact O-CG 3.24Å; R1674-E1678 WeakPolarHBondContact O-CG 3.38Å; R1674-E1678 PolarHBondContact O-N 2.87Å
1675K62.7Low59.4Low90 Ų9099.2 Ų99.239%0.39145%0.45SS..Hα-helixtrans-65.4-37.5177.8-88.6162.5-175.4173.30112.4E1671 E1672 R1673 E1678 E1679E1671-K1675 WeakPolarHBondContact O-CA 3.36Å; E1671-K1675 WeakPolarHBondContact O-CB 3.36Å; E1671-K1675 WeakPolarHBondContact O-CD 3.36Å; E1671-K1675 WeakPolarHBondContact O-CG 3.48Å; E1671-K1675 PolarHBondContact O-N 2.99Å; E1672-K1675 CarbonylContact O-C 3.54Å; E1672-K1675 WeakPolarHBondContact O-CA 3.12Å; E1672-K1675 WeakPolarHBondContact O-CB 3.43Å; E1672-K1675 PolarHBondContact O-N 3.12Å; E1672-K1675 VanDerWaalsContact O-N 3.1Å; R1673-K1675 VanDerWaalsContact C-N 3.33Å; K1675-E1678 CarbonylContact O-C 3.47Å; K1675-E1679 WeakPolarHBondContact O-CA 3.48Å; K1675-E1679 WeakPolarHBondContact O-CB 3.5Å; K1675-E1679 WeakPolarHBondContact O-CG 3.44Å; K1675-E1679 PolarHBondContact O-N 2.77Å
1676T64.9Low59.4Low85 Ų8596.4 Ų96.452%0.52144%0.442SS..Hα-helixtrans-74.5-33.8177.4-39.60000112.1E1672 E1679E1672-T1676 PolarHBondContact O-N 3.12Å; E1672-T1676 PolarHBondContact O-OG1 3.31Å; E1672-T1676 VanDerWaalsContact O-OG1 3.11Å; T1676-E1679 PolarHBondContact O-N 3.46Å
1677L60.3Low59.4Low62 Ų6291.7 Ų91.733%0.32542%0.424SS..Hα-helixtrans-73.8-41.8172.9-166.864.7000110.9A1582 R1673 R1674 E1679 R1680 Y1681A1582-L1677 HydrophobicContact CB-CD1 3.76Å; A1582-L1677 HydrophobicContact CB-CG 4.49Å; R1673-L1677 PolarHBondContact O-N 3.33Å; R1674-L1677 PolarHBondContact O-N 2.91Å; L1677-E1679 VanDerWaalsContact C-N 3.26Å; L1677-E1679 PolarHBondContact O-N 3.21Å; L1677-R1680 PolarHBondContact O-N 3.48Å; L1677-Y1681 WeakPolarHBondContact O-CA 3.47Å; L1677-Y1681 WeakPolarHBondContact O-CB 3.23Å; L1677-Y1681 PolarHBondContact O-N 2.78Å
1678E57.8Low59.6Low31 Ų3188.7 Ų88.715%0.14541%0.41CS..Hα-helixtrans-58.4-33164-84.6-171.8141.100110.8R1674 K1675 R1680 Y1681 K1682R1674-E1678 HydrophobicContact CG-CG 4.43Å; R1674-E1678 IonicContact CZ-OE1 2.83Å; R1674-E1678 VanDerWaalsContact CZ-OE1 3.29Å; R1674-E1678 IonicContact CZ-OE2 2.7Å; R1674-E1678 IonicContact NH1-OE1 3.31Å; R1674-E1678 PolarHBondContact NH1-OE1 2.78Å; R1674-E1678 IonicContact NH1-OE2 2.61Å; R1674-E1678 IonicContact NH2-OE1 3.48Å; R1674-E1678 PolarHBondContact NH2-OE1 2.86Å; R1674-E1678 IonicContact NH2-OE2 2.73Å; R1674-E1678 WeakPolarHBondContact O-CA 3.37Å; R1674-E1678 WeakPolarHBondContact O-CB 3.49Å; R1674-E1678 VanDerWaalsContact O-CG 3.24Å; R1674-E1678 WeakPolarHBondContact O-CG 3.38Å; R1674-E1678 PolarHBondContact O-N 2.87Å; K1675-E1678 CarbonylContact O-C 3.47Å; E1678-R1680 PolarHBondContact O-N 3.04Å; E1678-Y1681 CarbonylContact O-C 3.01Å; E1678-Y1681 PolarHBondContact O-N 2.81Å; E1678-K1682 HydrophobicContact CB-CD 3.96Å; E1678-K1682 HydrophobicContact CB-CG 4.16Å; E1678-K1682 HydrophobicContact CG-CD 4.45Å; E1678-K1682 WeakPolarHBondContact O-CA 3.42Å; E1678-K1682 WeakPolarHBondContact O-CB 3.39Å; E1678-K1682 WeakPolarHBondContact O-CG 3.49Å; E1678-K1682 PolarHBondContact O-N 2.78Å; E1678-K1682 VanDerWaalsContact OE1-CE 3.25Å; E1678-K1682 WeakPolarHBondContact OE1-CE 3.37Å; E1678-K1682 IonicContact OE1-NZ 3.24Å; E1678-K1682 PolarHBondContact OE1-NZ 3.31Å; E1678-K1682 IonicContact OE2-NZ 3.06Å; E1678-K1682 PolarHBondContact OE2-NZ 3.08Å
1679E65.9Low59Low121 Ų12187.5 Ų87.557%0.56540%0.404SS*.Hα-helixtrans-68.6-32.2-174.1-94.9159.5-176.100110.4K1675 T1676 L1677 K1682 E1683K1675-E1679 WeakPolarHBondContact O-CA 3.48Å; K1675-E1679 WeakPolarHBondContact O-CB 3.5Å; K1675-E1679 WeakPolarHBondContact O-CG 3.44Å; K1675-E1679 PolarHBondContact O-N 2.77Å; T1676-E1679 PolarHBondContact O-N 3.46Å; L1677-E1679 VanDerWaalsContact C-N 3.26Å; L1677-E1679 PolarHBondContact O-N 3.21Å; E1679-K1682 CarbonylContact O-C 3.3Å; E1679-E1683 WeakPolarHBondContact O-CA 3.07Å; E1679-E1683 VanDerWaalsContact O-CB 3.27Å; E1679-E1683 WeakPolarHBondContact O-CB 3.05Å; E1679-E1683 PolarHBondContact O-N 2.69Å
1680R61.1Low58.9Low185 Ų18586 Ų8670%0.69840%0.397SS*.Hα-helixtrans-92.9-33.1173.1-71.3-175.6173.6-176.2-1.5113.7L1677 E1678 E1683 T1684L1677-R1680 PolarHBondContact O-N 3.48Å; E1678-R1680 PolarHBondContact O-N 3.04Å; R1680-E1683 VanDerWaalsContact C-N 3.32Å; R1680-E1683 PolarHBondContact O-N 2.94Å; R1680-E1683 VanDerWaalsContact O-N 3.08Å; R1680-T1684 PolarHBondContact O-N 2.89Å; R1680-T1684 PolarHBondContact O-OG1 3.21Å
1681Y59.1Low58.4Low75 Ų7583.7 Ų83.729%0.29438%0.379SS..Hα-helixtrans-59.5-57.1168.8-161.7-90000106.9V1579 A1582 L1583 L1677 E1678 E1683 T1684 E1685V1579-Y1681 HydrophobicContact CB-CD2 4.37Å; V1579-Y1681 HydrophobicContact CB-CE2 4.27Å; V1579-Y1681 HydrophobicContact CG1-CD2 4.44Å; V1579-Y1681 HydrophobicContact CG1-CE2 3.86Å; V1579-Y1681 HydrophobicContact CG2-CD1 4.18Å; V1579-Y1681 HydrophobicContact CG2-CD2 3.5Å; V1579-Y1681 VanDerWaalsContact CG2-CD2 3.5Å; V1579-Y1681 HydrophobicContact CG2-CE1 4.28Å; V1579-Y1681 HydrophobicContact CG2-CE2 3.62Å; V1579-Y1681 HydrophobicContact CG2-CG 3.79Å; A1582-Y1681 HydrophobicContact CB-CD2 4.44Å; L1583-Y1681 HydrophobicContact CD2-CE2 3.77Å; L1583-Y1681 HydrophobicContact CG-CE2 4.05Å; L1677-Y1681 WeakPolarHBondContact O-CA 3.47Å; L1677-Y1681 WeakPolarHBondContact O-CB 3.23Å; L1677-Y1681 PolarHBondContact O-N 2.78Å; E1678-Y1681 CarbonylContact O-C 3.01Å; E1678-Y1681 PolarHBondContact O-N 2.81Å; Y1681-E1683 VanDerWaalsContact C-N 3.29Å; Y1681-E1683 PolarHBondContact O-N 3.4Å; Y1681-T1684 CarbonylContact O-C 3.44Å; Y1681-T1684 VanDerWaalsContact O-C 3.25Å; Y1681-T1684 WeakPolarHBondContact O-CA 3.04Å; Y1681-T1684 WeakPolarHBondContact O-CB 3.07Å; Y1681-T1684 PolarHBondContact O-N 2.79Å; Y1681-T1684 VanDerWaalsContact O-N 3.15Å; Y1681-E1685 HydrophobicContact CD1-CB 4.08Å; Y1681-E1685 HydrophobicContact CD1-CG 4.43Å; Y1681-E1685 WeakPolarHBondContact CD1-OE2 3.43Å; Y1681-E1685 HydrophobicContact CE1-CB 4.42Å; Y1681-E1685 WeakPolarHBondContact CE1-OE1 3.29Å; Y1681-E1685 VanDerWaalsContact O-CA 3.29Å; Y1681-E1685 WeakPolarHBondContact O-CA 3.47Å; Y1681-E1685 WeakPolarHBondContact O-CB 3.47Å; Y1681-E1685 PolarHBondContact O-N 3.44Å
1682K57Low58.2Low70 Ų7084.3 Ų84.330%0.30438%0.384SS..Hα-helixtrans-66.48160.9-50.9168.1174.4159.20116.5E1678 E1679 E1685 T1686E1678-K1682 HydrophobicContact CB-CD 3.96Å; E1678-K1682 HydrophobicContact CB-CG 4.16Å; E1678-K1682 HydrophobicContact CG-CD 4.45Å; E1678-K1682 WeakPolarHBondContact O-CA 3.42Å; E1678-K1682 WeakPolarHBondContact O-CB 3.39Å; E1678-K1682 WeakPolarHBondContact O-CG 3.49Å; E1678-K1682 PolarHBondContact O-N 2.78Å; E1678-K1682 VanDerWaalsContact OE1-CE 3.25Å; E1678-K1682 WeakPolarHBondContact OE1-CE 3.37Å; E1678-K1682 IonicContact OE1-NZ 3.24Å; E1678-K1682 PolarHBondContact OE1-NZ 3.31Å; E1678-K1682 IonicContact OE2-NZ 3.06Å; E1678-K1682 PolarHBondContact OE2-NZ 3.08Å; E1679-K1682 CarbonylContact O-C 3.3Å; K1682-E1685 WeakPolarHBondContact CG-OE2 3.28Å; K1682-T1686 HydrophobicContact CB-CG2 4.37Å; K1682-T1686 WeakPolarHBondContact O-CA 3.26Å; K1682-T1686 WeakPolarHBondContact O-CB 3.3Å; K1682-T1686 WeakPolarHBondContact O-CG2 3.24Å; K1682-T1686 PolarHBondContact O-N 3.32Å; K1682-T1686 PolarHBondContact O-OG1 3.08Å
1683E62.8Low57.6Low114 Ų11478.8 Ų78.853%0.53336%0.36SS..Hα-helixtrans-88.1-49.5157.5-163.6163.2-15600105.8E1679 R1680 Y1681 E1685 T1686 L1687E1679-E1683 WeakPolarHBondContact O-CA 3.07Å; E1679-E1683 VanDerWaalsContact O-CB 3.27Å; E1679-E1683 WeakPolarHBondContact O-CB 3.05Å; E1679-E1683 PolarHBondContact O-N 2.69Å; R1680-E1683 VanDerWaalsContact C-N 3.32Å; R1680-E1683 PolarHBondContact O-N 2.94Å; R1680-E1683 VanDerWaalsContact O-N 3.08Å; Y1681-E1683 VanDerWaalsContact C-N 3.29Å; Y1681-E1683 PolarHBondContact O-N 3.4Å; E1683-E1685 PolarHBondContact O-N 2.95Å; E1683-T1686 PolarHBondContact O-N 2.7Å; E1683-T1686 PolarHBondContact O-OG1 3.24Å; E1683-L1687 WeakPolarHBondContact O-CB 3.38Å; E1683-L1687 PolarHBondContact O-N 3.34Å
1684T55.9Low57Low4 Ų470.1 Ų70.13%0.02533%0.329CS..Hα-helixtrans-68.5-22169.1-47.60000113.5A1575 E1578 V1579 R1680 Y1681 L1687 L1688A1575-T1684 VanDerWaalsContact C-CG2 3.47Å; A1575-T1684 HydrophobicContact CB-CG2 4.16Å; A1575-T1684 WeakPolarHBondContact CB-O 3.48Å; A1575-T1684 WeakPolarHBondContact O-CG2 3.31Å; E1578-T1684 HydrophobicContact CB-CG2 4.5Å; E1578-T1684 VanDerWaalsContact CB-OG1 3.31Å; E1578-T1684 WeakPolarHBondContact CB-OG1 3.5Å; V1579-T1684 HydrophobicContact CB-CG2 3.48Å; V1579-T1684 VanDerWaalsContact CB-CG2 3.48Å; V1579-T1684 VanDerWaalsContact CG2-CB 3.42Å; V1579-T1684 HydrophobicContact CG2-CG2 3.49Å; V1579-T1684 VanDerWaalsContact CG2-CG2 3.49Å; V1579-T1684 PolarHBondContact N-OG1 2.83Å; R1680-T1684 PolarHBondContact O-N 2.89Å; R1680-T1684 PolarHBondContact O-OG1 3.21Å; Y1681-T1684 CarbonylContact O-C 3.44Å; Y1681-T1684 VanDerWaalsContact O-C 3.25Å; Y1681-T1684 WeakPolarHBondContact O-CA 3.04Å; Y1681-T1684 WeakPolarHBondContact O-CB 3.07Å; Y1681-T1684 PolarHBondContact O-N 2.79Å; Y1681-T1684 VanDerWaalsContact O-N 3.15Å; T1684-L1687 CarbonylContact O-C 3.55Å; T1684-L1688 HydrophobicContact CG2-CD1 4.15Å; T1684-L1688 WeakPolarHBondContact O-CA 3.42Å; T1684-L1688 WeakPolarHBondContact O-CB 3.33Å; T1684-L1688 WeakPolarHBondContact O-CD1 3.14Å; T1684-L1688 VanDerWaalsContact O-CG 3.25Å; T1684-L1688 WeakPolarHBondContact O-CG 3.3Å; T1684-L1688 PolarHBondContact O-N 3.19Å
1685E52.2Low56.5Low50 Ų5067.4 Ų67.423%0.23433%0.327CS..THydrogen-bonded Turntrans-106.8-6.2179.7165.7-165.4-106.700109.7Y1681 K1682 E1683 E1689Y1681-E1685 HydrophobicContact CD1-CB 4.08Å; Y1681-E1685 HydrophobicContact CD1-CG 4.43Å; Y1681-E1685 WeakPolarHBondContact CD1-OE2 3.43Å; Y1681-E1685 HydrophobicContact CE1-CB 4.42Å; Y1681-E1685 WeakPolarHBondContact CE1-OE1 3.29Å; Y1681-E1685 VanDerWaalsContact O-CA 3.29Å; Y1681-E1685 WeakPolarHBondContact O-CA 3.47Å; Y1681-E1685 WeakPolarHBondContact O-CB 3.47Å; Y1681-E1685 PolarHBondContact O-N 3.44Å; K1682-E1685 WeakPolarHBondContact CG-OE2 3.28Å; E1683-E1685 PolarHBondContact O-N 2.95Å; E1685-E1689 HydrophobicContact CG-CG 3.75Å; E1685-E1689 WeakPolarHBondContact O-CA 3.47Å; E1685-E1689 WeakPolarHBondContact O-CB 3.18Å; E1685-E1689 WeakPolarHBondContact O-CG 2.98Å; E1685-E1689 PolarHBondContact O-N 3.28Å
1686T60.9Low55.8Low72 Ų7264.5 Ų64.544%0.44232%0.315SS..THydrogen-bonded Turntrans-86.5-26.9151.846.70000110.4K1682 E1683 E1689 E1690K1682-T1686 HydrophobicContact CB-CG2 4.37Å; K1682-T1686 WeakPolarHBondContact O-CA 3.26Å; K1682-T1686 WeakPolarHBondContact O-CB 3.3Å; K1682-T1686 WeakPolarHBondContact O-CG2 3.24Å; K1682-T1686 PolarHBondContact O-N 3.32Å; K1682-T1686 PolarHBondContact O-OG1 3.08Å; E1683-T1686 PolarHBondContact O-N 2.7Å; E1683-T1686 PolarHBondContact O-OG1 3.24Å; T1686-E1689 CarbonylContact O-C 3.39Å; T1686-E1690 WeakPolarHBondContact O-CA 2.99Å; T1686-E1690 WeakPolarHBondContact O-CB 3.27Å; T1686-E1690 VanDerWaalsContact O-CG 3.23Å; T1686-E1690 WeakPolarHBondContact O-CG 3.29Å; T1686-E1690 PolarHBondContact O-N 2.91Å
1687L58Low55.2Low59 Ų5962 Ų6231%0.30930%0.303SS..THydrogen-bonded Turntrans-93-8.5178.3-142.3-163.7000110.4V1572 A1575 E1683 T1684V1572-L1687 WeakPolarHBondContact CA-O 3.35Å; V1572-L1687 WeakPolarHBondContact CB-O 3.26Å; V1572-L1687 WeakPolarHBondContact CG1-O 3.42Å; V1572-L1687 HydrophobicContact CG2-CD2 4.36Å; V1572-L1687 WeakPolarHBondContact CG2-O 3.49Å; A1575-L1687 HydrophobicContact CB-CB 3.45Å; A1575-L1687 VanDerWaalsContact CB-CB 3.45Å; A1575-L1687 HydrophobicContact CB-CD1 4.01Å; A1575-L1687 HydrophobicContact CB-CD2 3.98Å; A1575-L1687 HydrophobicContact CB-CG 3.97Å; A1575-L1687 WeakPolarHBondContact CB-O 3.37Å; E1683-L1687 WeakPolarHBondContact O-CB 3.38Å; E1683-L1687 PolarHBondContact O-N 3.34Å; T1684-L1687 CarbonylContact O-C 3.55Å
1688L55.8Low54.6Low36 Ų3660.9 Ų60.919%0.18830%0.303CS..THydrogen-bonded Turntrans-93-46.8152.7-82.4160.9000109.9V1572 A1575 A1576 T1684 E1690 K1691 I1692 G1693V1572-L1688 HydrophobicContact CG1-CD2 4.33Å; V1572-L1688 WeakPolarHBondContact CG1-O 3.31Å; A1575-L1688 HydrophobicContact CB-CG 4.25Å; A1576-L1688 HydrophobicContact CB-CD1 3.88Å; A1576-L1688 HydrophobicContact CB-CD2 3.93Å; A1576-L1688 HydrophobicContact CB-CG 4.09Å; T1684-L1688 HydrophobicContact CG2-CD1 4.15Å; T1684-L1688 WeakPolarHBondContact O-CA 3.42Å; T1684-L1688 WeakPolarHBondContact O-CB 3.33Å; T1684-L1688 WeakPolarHBondContact O-CD1 3.14Å; T1684-L1688 VanDerWaalsContact O-CG 3.25Å; T1684-L1688 WeakPolarHBondContact O-CG 3.3Å; T1684-L1688 PolarHBondContact O-N 3.19Å; L1688-E1690 PolarHBondContact O-N 2.64Å; L1688-K1691 CarbonylContact O-C 3.56Å; L1688-K1691 PolarHBondContact O-N 3.28Å; L1688-I1692 HydrophobicContact CB-CD1 4.11Å; L1688-I1692 HydrophobicContact CB-CG1 4.1Å; L1688-I1692 HydrophobicContact CD1-CD1 4.48Å; L1688-I1692 HydrophobicContact CD2-CD1 3.73Å; L1688-I1692 HydrophobicContact CD2-CG1 3.71Å; L1688-I1692 HydrophobicContact CG-CD1 4.34Å; L1688-I1692 HydrophobicContact CG-CG1 4.5Å; L1688-I1692 CarbonylContact O-C 3.41Å; L1688-I1692 VanDerWaalsContact O-C 3.25Å; L1688-I1692 WeakPolarHBondContact O-CA 3.49Å; L1688-I1692 PolarHBondContact O-N 3.28Å; L1688-G1693 PolarHBondContact O-N 3.01Å
1689E50.2Low54.5Low63 Ų6365.9 Ų65.929%0.29432%0.32SS..THydrogen-bonded Turntrans-66.219.4165.3-58.9167.1141.500113.1E1685 T1686 G1693E1685-E1689 HydrophobicContact CG-CG 3.75Å; E1685-E1689 WeakPolarHBondContact O-CA 3.47Å; E1685-E1689 WeakPolarHBondContact O-CB 3.18Å; E1685-E1689 WeakPolarHBondContact O-CG 2.98Å; E1685-E1689 PolarHBondContact O-N 3.28Å; T1686-E1689 CarbonylContact O-C 3.39Å; E1689-G1693 VanDerWaalsContact C-N 3.3Å; E1689-G1693 VanDerWaalsContact CA-N 3.26Å; E1689-G1693 CarbonylContact O-C 3.46Å; E1689-G1693 WeakPolarHBondContact O-CA 3.47Å
1690E55.7Low53.9Low106 Ų10664.4 Ų64.450%0.49531%0.313SS..THydrogen-bonded Turntrans-104.8-15.5159.1-95.3-167.4145.300111.8V1572 T1686 L1688 T1694V1572-E1690 HydrophobicContact CG2-CB 3.3Å; T1686-E1690 WeakPolarHBondContact O-CA 2.99Å; T1686-E1690 WeakPolarHBondContact O-CB 3.27Å; T1686-E1690 VanDerWaalsContact O-CG 3.23Å; T1686-E1690 WeakPolarHBondContact O-CG 3.29Å; T1686-E1690 PolarHBondContact O-N 2.91Å; L1688-E1690 PolarHBondContact O-N 2.64Å; E1690-T1694 VanDerWaalsContact O-CB 3.22Å; E1690-T1694 WeakPolarHBondContact O-CB 3.02Å; E1690-T1694 VanDerWaalsContact O-CG2 3.27Å; E1690-T1694 WeakPolarHBondContact O-CG2 3.5Å; E1690-T1694 PolarHBondContact O-N 3.49Å; E1690-T1694 PolarHBondContact O-OG1 2.87Å
1691K44.8Very low53.5Low45 Ų4562.3 Ų62.320%0.19631%0.306CS..THydrogen-bonded Turntrans-137.1-24.3163.9123.7-114.3-80.8-161.50117.6I1569 V1572 E1573 L1688 S1695I1569-K1691 HydrophobicContact CG2-CG 4.48Å; I1569-K1691 WeakPolarHBondContact O-CB 3.28Å; I1569-K1691 WeakPolarHBondContact O-CE 3.34Å; I1569-K1691 WeakPolarHBondContact O-CG 3.2Å; V1572-K1691 HydrophobicContact CB-CB 3.41Å; V1572-K1691 VanDerWaalsContact CB-CB 3.41Å; V1572-K1691 HydrophobicContact CB-CD 3.57Å; V1572-K1691 HydrophobicContact CB-CG 3.87Å; V1572-K1691 VanDerWaalsContact CG1-CA 3.46Å; V1572-K1691 HydrophobicContact CG1-CB 3.39Å; V1572-K1691 HydrophobicContact CG1-CD 3.48Å; V1572-K1691 VanDerWaalsContact CG1-CD 3.48Å; V1572-K1691 HydrophobicContact CG1-CG 3.68Å; V1572-K1691 HydrophobicContact CG2-CB 3.7Å; E1573-K1691 VanDerWaalsContact CB-NZ 3.31Å; E1573-K1691 IonicContact OE2-NZ 2.66Å; E1573-K1691 PolarHBondContact OE2-NZ 2.82Å; L1688-K1691 CarbonylContact O-C 3.56Å; L1688-K1691 PolarHBondContact O-N 3.28Å; K1691-S1695 VanDerWaalsContact O-CA 3.27Å; K1691-S1695 WeakPolarHBondContact O-CA 3.07Å; K1691-S1695 WeakPolarHBondContact O-CB 3.36Å; K1691-S1695 PolarHBondContact O-N 2.87Å
1692I52Low53.5Low65 Ų6561.3 Ų61.333%0.33331%0.313SS..THydrogen-bonded Turntrans-73.17.3136.9-28.6-179.9000110L1688 S1695 E1696L1688-I1692 HydrophobicContact CB-CD1 4.11Å; L1688-I1692 HydrophobicContact CB-CG1 4.1Å; L1688-I1692 HydrophobicContact CD1-CD1 4.48Å; L1688-I1692 HydrophobicContact CD2-CD1 3.73Å; L1688-I1692 HydrophobicContact CD2-CG1 3.71Å; L1688-I1692 HydrophobicContact CG-CD1 4.34Å; L1688-I1692 HydrophobicContact CG-CG1 4.5Å; L1688-I1692 CarbonylContact O-C 3.41Å; L1688-I1692 VanDerWaalsContact O-C 3.25Å; L1688-I1692 WeakPolarHBondContact O-CA 3.49Å; L1688-I1692 PolarHBondContact O-N 3.28Å; I1692-S1695 CarbonylContact O-C 3.42Å; I1692-E1696 HydrophobicContact CG2-CG 4.07Å; I1692-E1696 WeakPolarHBondContact CG2-OE2 3.39Å; I1692-E1696 WeakPolarHBondContact O-CA 3.35Å; I1692-E1696 WeakPolarHBondContact O-CB 2.99Å; I1692-E1696 WeakPolarHBondContact O-CG 3.03Å; I1692-E1696 PolarHBondContact O-N 2.82Å
1693G51.6Low53.7Low7 Ų760.2 Ų60.27%0.07231%0.309CS..SBendtrans-142.92.2173.300000116.1L1688 E1689 S1695 A1697L1688-G1693 PolarHBondContact O-N 3.01Å; E1689-G1693 VanDerWaalsContact C-N 3.3Å; E1689-G1693 VanDerWaalsContact CA-N 3.26Å; E1689-G1693 CarbonylContact O-C 3.46Å; E1689-G1693 WeakPolarHBondContact O-CA 3.47Å; G1693-S1695 VanDerWaalsContact C-N 3.29Å; G1693-S1695 VanDerWaalsContact N-N 3.19Å; G1693-A1697 WeakPolarHBondContact O-CA 3.36Å; G1693-A1697 WeakPolarHBondContact O-CB 3.29Å; G1693-A1697 PolarHBondContact O-N 3.13Å
1694T48.3Very low53.4Low22 Ų2259.5 Ų59.514%0.13531%0.305CS..THydrogen-bonded Turn-87.81.1125.761.30000113.5R1568 E1690 A1698R1568-T1694 HydrophobicContact CB-CG2 3.57Å; R1568-T1694 HydrophobicContact CG-CG2 4.23Å; E1690-T1694 VanDerWaalsContact O-CB 3.22Å; E1690-T1694 WeakPolarHBondContact O-CB 3.02Å; E1690-T1694 VanDerWaalsContact O-CG2 3.27Å; E1690-T1694 WeakPolarHBondContact O-CG2 3.5Å; E1690-T1694 PolarHBondContact O-N 3.49Å; E1690-T1694 PolarHBondContact O-OG1 2.87Å; T1694-A1698 WeakPolarHBondContact O-CB 3.41Å; T1694-A1698 PolarHBondContact O-N 3.39Å
1695S48.3Very low53.4Low53 Ų5365 Ų6537%0.37133%0.334SS..THydrogen-bonded Turntrans-123.633.2157.3-1550000112K1691 I1692 G1693 R1699K1691-S1695 VanDerWaalsContact O-CA 3.27Å; K1691-S1695 WeakPolarHBondContact O-CA 3.07Å; K1691-S1695 WeakPolarHBondContact O-CB 3.36Å; K1691-S1695 PolarHBondContact O-N 2.87Å; I1692-S1695 CarbonylContact O-C 3.42Å; G1693-S1695 VanDerWaalsContact C-N 3.29Å; G1693-S1695 VanDerWaalsContact N-N 3.19Å; S1695-R1699 WeakPolarHBondContact O-CA 3.17Å; S1695-R1699 WeakPolarHBondContact O-CB 3.19Å; S1695-R1699 WeakPolarHBondContact O-CD 3.07Å; S1695-R1699 WeakPolarHBondContact O-CG 3.37Å; S1695-R1699 PolarHBondContact O-N 3.22Å
1696E48.7Very low54.1Low30 Ų3069 Ų6914%0.1435%0.347CS..THydrogen-bonded Turntrans-131.8-52.1157.5-85.5163.1143.600105.4I1692 A1698 R1699 Q1700 R1701I1692-E1696 HydrophobicContact CG2-CG 4.07Å; I1692-E1696 WeakPolarHBondContact CG2-OE2 3.39Å; I1692-E1696 WeakPolarHBondContact O-CA 3.35Å; I1692-E1696 WeakPolarHBondContact O-CB 2.99Å; I1692-E1696 WeakPolarHBondContact O-CG 3.03Å; I1692-E1696 PolarHBondContact O-N 2.82Å; E1696-A1698 VanDerWaalsContact N-N 3.15Å; E1696-A1698 CarbonylContact O-C 3.48Å; E1696-A1698 WeakPolarHBondContact O-CA 3.45Å; E1696-A1698 PolarHBondContact O-N 3.2Å; E1696-R1699 HydrophobicContact CB-CB 4.36Å; E1696-R1699 HydrophobicContact CG-CB 3.61Å; E1696-R1699 HydrophobicContact CG-CG 4.5Å; E1696-R1699 CarbonylContact O-C 3.4Å; E1696-R1699 PolarHBondContact O-N 2.86Å; E1696-R1699 IonicContact OE1-CZ 3.23Å; E1696-R1699 IonicContact OE1-NE 2.97Å; E1696-R1699 PolarHBondContact OE1-NE 2.93Å; E1696-R1699 IonicContact OE1-NH2 2.67Å; E1696-R1699 PolarHBondContact OE1-NH2 2.82Å; E1696-Q1700 HydrophobicContact CB-CB 4.14Å; E1696-Q1700 HydrophobicContact CB-CG 3.83Å; E1696-Q1700 HydrophobicContact CG-CG 4.05Å; E1696-Q1700 CarbonylContact O-C 3.58Å; E1696-Q1700 WeakPolarHBondContact O-CA 3.28Å; E1696-Q1700 WeakPolarHBondContact O-CB 3.17Å; E1696-Q1700 PolarHBondContact O-N 2.86Å; E1696-R1701 PolarHBondContact O-N 2.86Å
1697A51.7Low54.3Low31 Ų3170.5 Ų70.526%0.25635%0.349SS..THydrogen-bonded Turntrans-62.37.6148.800000113.9G1693 R1701G1693-A1697 WeakPolarHBondContact O-CA 3.36Å; G1693-A1697 WeakPolarHBondContact O-CB 3.29Å; G1693-A1697 PolarHBondContact O-N 3.13Å; A1697-R1701 HydrophobicContact CB-CG 4.4Å; A1697-R1701 VanDerWaalsContact O-CB 3.25Å; A1697-R1701 WeakPolarHBondContact O-CB 3.23Å; A1697-R1701 VanDerWaalsContact O-CD 3.28Å; A1697-R1701 WeakPolarHBondContact O-CD 3.27Å; A1697-R1701 VanDerWaalsContact O-CG 3.23Å; A1697-R1701 WeakPolarHBondContact O-CG 3.25Å; A1697-R1701 PolarHBondContact O-NH1 3.23Å
1698A49.4Very low54.2Low40 Ų4073.6 Ų73.633%0.33136%0.363SS..THydrogen-bonded Turntrans-133.82.7143.600000118.4T1694 E1696 A1702T1694-A1698 WeakPolarHBondContact O-CB 3.41Å; T1694-A1698 PolarHBondContact O-N 3.39Å; E1696-A1698 VanDerWaalsContact N-N 3.15Å; E1696-A1698 CarbonylContact O-C 3.48Å; E1696-A1698 WeakPolarHBondContact O-CA 3.45Å; E1696-A1698 PolarHBondContact O-N 3.2Å; A1698-A1702 WeakPolarHBondContact O-CA 3.36Å; A1698-A1702 WeakPolarHBondContact O-CB 3.48Å; A1698-A1702 PolarHBondContact O-N 3.02Å
1699R54.8Low54.4Low136 Ų13673.9 Ų73.951%0.51337%0.371SS..THydrogen-bonded Turntrans-85.8-85147.1-82.5152.937130.2-13.8106.3S1695 E1696 R1701 A1702 E1703S1695-R1699 WeakPolarHBondContact O-CA 3.17Å; S1695-R1699 WeakPolarHBondContact O-CB 3.19Å; S1695-R1699 WeakPolarHBondContact O-CD 3.07Å; S1695-R1699 WeakPolarHBondContact O-CG 3.37Å; S1695-R1699 PolarHBondContact O-N 3.22Å; E1696-R1699 HydrophobicContact CB-CB 4.36Å; E1696-R1699 HydrophobicContact CG-CB 3.61Å; E1696-R1699 HydrophobicContact CG-CG 4.5Å; E1696-R1699 CarbonylContact O-C 3.4Å; E1696-R1699 PolarHBondContact O-N 2.86Å; E1696-R1699 IonicContact OE1-CZ 3.23Å; E1696-R1699 IonicContact OE1-NE 2.97Å; E1696-R1699 PolarHBondContact OE1-NE 2.93Å; E1696-R1699 IonicContact OE1-NH2 2.67Å; E1696-R1699 PolarHBondContact OE1-NH2 2.82Å; R1699-R1701 CarbonylContact O-C 3.23Å; R1699-R1701 VanDerWaalsContact O-C 3.27Å; R1699-R1701 WeakPolarHBondContact O-CA 3.32Å; R1699-R1701 PolarHBondContact O-N 3.2Å; R1699-A1702 CarbonylContact O-C 3.55Å; R1699-A1702 VanDerWaalsContact O-CA 3.3Å; R1699-A1702 WeakPolarHBondContact O-CA 3.29Å; R1699-A1702 PolarHBondContact O-N 3.03Å; R1699-E1703 HydrophobicContact CB-CB 4.41Å; R1699-E1703 WeakPolarHBondContact O-CA 3.23Å; R1699-E1703 WeakPolarHBondContact O-CB 3.24Å; R1699-E1703 PolarHBondContact O-N 3.02Å
1700Q53.5Low55.3Low89 Ų8972.4 Ų72.442%0.41637%0.366SS..THydrogen-bonded Turntrans-36.4-1.1159.6-50.217334.500119.3E1696 Q1704E1696-Q1700 HydrophobicContact CB-CB 4.14Å; E1696-Q1700 HydrophobicContact CB-CG 3.83Å; E1696-Q1700 HydrophobicContact CG-CG 4.05Å; E1696-Q1700 CarbonylContact O-C 3.58Å; E1696-Q1700 WeakPolarHBondContact O-CA 3.28Å; E1696-Q1700 WeakPolarHBondContact O-CB 3.17Å; E1696-Q1700 PolarHBondContact O-N 2.86Å; Q1700-Q1704 WeakPolarHBondContact O-CB 3.49Å; Q1700-Q1704 WeakPolarHBondContact O-CG 3.43Å; Q1700-Q1704 PolarHBondContact O-N 2.92Å; Q1700-Q1704 PolarHBondContact O-OE1 3.29Å
1701R53Low55.6Low142 Ų14274 Ų7454%0.53637%0.371SS..THydrogen-bonded Turntrans-117.9-9.4147.6-56.1-170.3-151.7119.1-9.1118.1E1696 A1697 R1699 L1705E1696-R1701 PolarHBondContact O-N 2.86Å; A1697-R1701 HydrophobicContact CB-CG 4.4Å; A1697-R1701 VanDerWaalsContact O-CB 3.25Å; A1697-R1701 WeakPolarHBondContact O-CB 3.23Å; A1697-R1701 VanDerWaalsContact O-CD 3.28Å; A1697-R1701 WeakPolarHBondContact O-CD 3.27Å; A1697-R1701 VanDerWaalsContact O-CG 3.23Å; A1697-R1701 WeakPolarHBondContact O-CG 3.25Å; A1697-R1701 PolarHBondContact O-NH1 3.23Å; R1699-R1701 CarbonylContact O-C 3.23Å; R1699-R1701 VanDerWaalsContact O-C 3.27Å; R1699-R1701 WeakPolarHBondContact O-CA 3.32Å; R1699-R1701 PolarHBondContact O-N 3.2Å; R1701-L1705 VanDerWaalsContact C-N 3.33Å; R1701-L1705 WeakPolarHBondContact O-CA 3.42Å; R1701-L1705 WeakPolarHBondContact O-CB 3.44Å; R1701-L1705 WeakPolarHBondContact O-CD1 3.28Å; R1701-L1705 WeakPolarHBondContact O-CG 2.99Å; R1701-L1705 PolarHBondContact O-N 3Å
1702A58.9Low56.4Low54 Ų5476.6 Ų76.645%0.44639%0.387SS..THydrogen-bonded Turntrans-105.234.5152.200000112.7A1698 R1699 R1706A1698-A1702 WeakPolarHBondContact O-CA 3.36Å; A1698-A1702 WeakPolarHBondContact O-CB 3.48Å; A1698-A1702 PolarHBondContact O-N 3.02Å; R1699-A1702 CarbonylContact O-C 3.55Å; R1699-A1702 VanDerWaalsContact O-CA 3.3Å; R1699-A1702 WeakPolarHBondContact O-CA 3.29Å; R1699-A1702 PolarHBondContact O-N 3.03Å; A1702-R1706 WeakPolarHBondContact O-CB 3.3Å
1703E60.1Low57.2Low46 Ų4677.2 Ų77.222%0.21539%0.391CS..THydrogen-bonded Turntrans-160.4-21.4-176.1-171.169.2-141.700106.4R1699 R1706 Q1707R1699-E1703 HydrophobicContact CB-CB 4.41Å; R1699-E1703 WeakPolarHBondContact O-CA 3.23Å; R1699-E1703 WeakPolarHBondContact O-CB 3.24Å; R1699-E1703 PolarHBondContact O-N 3.02Å; E1703-R1706 CarbonylContact O-C 3.57Å; E1703-R1706 IonicContact OE1-CZ 2.68Å; E1703-R1706 IonicContact OE1-NE 3.04Å; E1703-R1706 IonicContact OE1-NH2 3.22Å; E1703-R1706 PolarHBondContact OE1-NH2 2.94Å; E1703-R1706 IonicContact OE2-CZ 3.53Å; E1703-R1706 VanDerWaalsContact OE2-CZ 3.24Å; E1703-R1706 IonicContact OE2-NE 2.8Å; E1703-R1706 PolarHBondContact OE2-NE 3.12Å; E1703-R1706 IonicContact OE2-NH2 3.51Å; E1703-R1706 PolarHBondContact OE2-NH2 2.72Å; E1703-Q1707 HydrophobicContact CG-CG 4.41Å; E1703-Q1707 WeakPolarHBondContact O-CA 3.43Å; E1703-Q1707 WeakPolarHBondContact O-CB 3.09Å; E1703-Q1707 VanDerWaalsContact O-CD 3.28Å; E1703-Q1707 WeakPolarHBondContact O-CG 3.26Å; E1703-Q1707 PolarHBondContact O-N 2.84Å; E1703-Q1707 PolarHBondContact OE1-NE2 2.98Å
1704Q57.6Low57.9Low99 Ų9982.2 Ų82.246%0.46341%0.412SS..SBendtrans-90.3-18.5140.4-66.7170.7-2.700112.6Q1700 M1708Q1700-Q1704 WeakPolarHBondContact O-CB 3.49Å; Q1700-Q1704 WeakPolarHBondContact O-CG 3.43Å; Q1700-Q1704 PolarHBondContact O-N 2.92Å; Q1700-Q1704 PolarHBondContact O-OE1 3.29Å; Q1704-M1708 WeakPolarHBondContact O-CA 3.36Å; Q1704-M1708 WeakPolarHBondContact O-CB 3.33Å; Q1704-M1708 WeakPolarHBondContact O-CG 3.34Å; Q1704-M1708 PolarHBondContact O-N 3.04Å
1705L55.2Low58.5Low120 Ų12087.1 Ų87.163%0.62843%0.432SS*.THydrogen-bonded Turntrans-91.1-6.9157.9-62.4161.5000111.9R1701 A1709R1701-L1705 VanDerWaalsContact C-N 3.33Å; R1701-L1705 WeakPolarHBondContact O-CA 3.42Å; R1701-L1705 WeakPolarHBondContact O-CB 3.44Å; R1701-L1705 WeakPolarHBondContact O-CD1 3.28Å; R1701-L1705 WeakPolarHBondContact O-CG 2.99Å; R1701-L1705 PolarHBondContact O-N 3Å; L1705-A1709 WeakPolarHBondContact O-CA 3.46Å; L1705-A1709 WeakPolarHBondContact O-CB 3.38Å; L1705-A1709 PolarHBondContact O-N 2.94Å
1706R67.7Low59.1Low134 Ų13487.5 Ų87.551%0.50643%0.432SS..THydrogen-bonded Turntrans-107.85.8161.9-165.3-160.679.2922.5112.6A1702 E1703 T1710A1702-R1706 WeakPolarHBondContact O-CB 3.3Å; E1703-R1706 CarbonylContact O-C 3.57Å; E1703-R1706 IonicContact OE1-CZ 2.68Å; E1703-R1706 IonicContact OE1-NE 3.04Å; E1703-R1706 IonicContact OE1-NH2 3.22Å; E1703-R1706 PolarHBondContact OE1-NH2 2.94Å; E1703-R1706 IonicContact OE2-CZ 3.53Å; E1703-R1706 VanDerWaalsContact OE2-CZ 3.24Å; E1703-R1706 IonicContact OE2-NE 2.8Å; E1703-R1706 PolarHBondContact OE2-NE 3.12Å; E1703-R1706 IonicContact OE2-NH2 3.51Å; E1703-R1706 PolarHBondContact OE2-NH2 2.72Å; R1706-T1710 WeakPolarHBondContact O-CA 3.33Å; R1706-T1710 WeakPolarHBondContact O-CB 3.46Å; R1706-T1710 PolarHBondContact O-N 2.67Å; R1706-T1710 VanDerWaalsContact O-N 3.1Å; R1706-T1710 PolarHBondContact O-OG1 3.07Å
1707Q65.3Low59.9Low103 Ų10390.8 Ų90.848%0.48145%0.447SS..THydrogen-bonded Turntrans-121-17.1158.1-62.4166.21500111.7E1703 K1711E1703-Q1707 HydrophobicContact CG-CG 4.41Å; E1703-Q1707 WeakPolarHBondContact O-CA 3.43Å; E1703-Q1707 WeakPolarHBondContact O-CB 3.09Å; E1703-Q1707 VanDerWaalsContact O-CD 3.28Å; E1703-Q1707 WeakPolarHBondContact O-CG 3.26Å; E1703-Q1707 PolarHBondContact O-N 2.84Å; E1703-Q1707 PolarHBondContact OE1-NE2 2.98Å; Q1707-K1711 WeakPolarHBondContact O-CA 3.04Å; Q1707-K1711 WeakPolarHBondContact O-CB 3.08Å; Q1707-K1711 WeakPolarHBondContact O-CG 3.2Å; Q1707-K1711 PolarHBondContact O-N 3.15Å
1708M55.2Low60.5Low125 Ų12595.6 Ų95.662%0.61646%0.462SS*.THydrogen-bonded Turntrans-84.6-23.1153.1-58.2175.117700111.3Q1704 K1711 L1712Q1704-M1708 WeakPolarHBondContact O-CA 3.36Å; Q1704-M1708 WeakPolarHBondContact O-CB 3.33Å; Q1704-M1708 WeakPolarHBondContact O-CG 3.34Å; Q1704-M1708 PolarHBondContact O-N 3.04Å; M1708-K1711 CarbonylContact O-C 3.46Å; M1708-L1712 VanDerWaalsContact O-CA 3.23Å; M1708-L1712 WeakPolarHBondContact O-CA 3.17Å; M1708-L1712 WeakPolarHBondContact O-CB 3.38Å; M1708-L1712 PolarHBondContact O-N 2.94Å
1709A61.4Low61.1Low41 Ų4197.6 Ų97.634%0.33946%0.464SS..THydrogen-bonded Turntrans-114.732.3160.700000112.6L1705 L1712 L1713L1705-A1709 WeakPolarHBondContact O-CA 3.46Å; L1705-A1709 WeakPolarHBondContact O-CB 3.38Å; L1705-A1709 PolarHBondContact O-N 2.94Å; A1709-L1712 HydrophobicContact CB-CB 4.33Å; A1709-L1713 VanDerWaalsContact C-N 3.35Å; A1709-L1713 WeakPolarHBondContact O-CB 3.44Å; A1709-L1713 PolarHBondContact O-N 3.34Å
1710T67.2Low61.7Low33 Ų3395 Ų9520%0.20246%0.46CS..THydrogen-bonded Turntrans-121.2-4.6136.5-52.40000112R1706 E1714R1706-T1710 WeakPolarHBondContact O-CA 3.33Å; R1706-T1710 WeakPolarHBondContact O-CB 3.46Å; R1706-T1710 PolarHBondContact O-N 2.67Å; R1706-T1710 VanDerWaalsContact O-N 3.1Å; R1706-T1710 PolarHBondContact O-OG1 3.07Å; T1710-E1714 HydrophobicContact CG2-CG 4.01Å; T1710-E1714 VanDerWaalsContact O-CA 3.27Å; T1710-E1714 WeakPolarHBondContact O-CA 3.31Å; T1710-E1714 WeakPolarHBondContact O-CB 3.5Å; T1710-E1714 WeakPolarHBondContact O-CG 3.24Å; T1710-E1714 PolarHBondContact O-N 3.38Å
1711K63.5Low62.4Low138 Ų13893 Ų9360%0.646%0.456SS*.THydrogen-bonded Turntrans-96.42150.8-63.5176.6171.1-179.90114.2Q1707 M1708 K1715Q1707-K1711 WeakPolarHBondContact O-CA 3.04Å; Q1707-K1711 WeakPolarHBondContact O-CB 3.08Å; Q1707-K1711 WeakPolarHBondContact O-CG 3.2Å; Q1707-K1711 PolarHBondContact O-N 3.15Å; M1708-K1711 CarbonylContact O-C 3.46Å; K1711-K1715 VanDerWaalsContact C-N 3.25Å; K1711-K1715 WeakPolarHBondContact O-CA 3.09Å; K1711-K1715 WeakPolarHBondContact O-CB 3.41Å; K1711-K1715 WeakPolarHBondContact O-CG 3.09Å; K1711-K1715 PolarHBondContact O-N 2.76Å
1712L60.7Low62.8Low100 Ų10088.9 Ų88.952%0.52445%0.445SS..THydrogen-bonded Turntrans-120.1-7.1160.3-169.679.9000109.3M1708 A1709 T1716M1708-L1712 VanDerWaalsContact O-CA 3.23Å; M1708-L1712 WeakPolarHBondContact O-CA 3.17Å; M1708-L1712 WeakPolarHBondContact O-CB 3.38Å; M1708-L1712 PolarHBondContact O-N 2.94Å; A1709-L1712 HydrophobicContact CB-CB 4.33Å; L1712-T1716 WeakPolarHBondContact CD1-OG1 3.15Å; L1712-T1716 WeakPolarHBondContact CG-OG1 3.32Å; L1712-T1716 WeakPolarHBondContact O-CA 3.2Å; L1712-T1716 WeakPolarHBondContact O-CB 3.23Å; L1712-T1716 PolarHBondContact O-N 3.13Å; L1712-T1716 PolarHBondContact O-OG1 3.12Å
1713L68.6Low62.7Low79 Ų7991.1 Ų91.141%0.41445%0.448SS..THydrogen-bonded Turntrans-79.6-61.9148.1-157.877.2000106.3A1709 K1715 T1716 E1717A1709-L1713 VanDerWaalsContact C-N 3.35Å; A1709-L1713 WeakPolarHBondContact O-CB 3.44Å; A1709-L1713 PolarHBondContact O-N 3.34Å; L1713-K1715 VanDerWaalsContact C-N 3.28Å; L1713-K1715 CarbonylContact O-C 3.39Å; L1713-K1715 PolarHBondContact O-N 3.39Å; L1713-T1716 CarbonylContact O-C 3.36Å; L1713-T1716 WeakPolarHBondContact O-CA 3.01Å; L1713-T1716 PolarHBondContact O-N 2.78Å; L1713-E1717 HydrophobicContact CD1-CG 4.09Å; L1713-E1717 HydrophobicContact CD2-CG 4.49Å; L1713-E1717 WeakPolarHBondContact CD2-OE1 3.3Å; L1713-E1717 HydrophobicContact CG-CG 3.74Å; L1713-E1717 WeakPolarHBondContact CG-OE2 3.48Å; L1713-E1717 VanDerWaalsContact O-CA 3.31Å; L1713-E1717 WeakPolarHBondContact O-CA 3.4Å; L1713-E1717 WeakPolarHBondContact O-CB 3.01Å; L1713-E1717 PolarHBondContact O-N 3.18Å
1714E66.7Low63.1Low111 Ų11192.5 Ų92.552%0.51946%0.455SS..Hα-helixtrans-57.2-24.1169.5-62.1159.2177.200115T1710 K1718T1710-E1714 HydrophobicContact CG2-CG 4.01Å; T1710-E1714 VanDerWaalsContact O-CA 3.27Å; T1710-E1714 WeakPolarHBondContact O-CA 3.31Å; T1710-E1714 WeakPolarHBondContact O-CB 3.5Å; T1710-E1714 WeakPolarHBondContact O-CG 3.24Å; T1710-E1714 PolarHBondContact O-N 3.38Å; E1714-K1718 WeakPolarHBondContact O-CA 3.34Å; E1714-K1718 WeakPolarHBondContact O-CB 3Å; E1714-K1718 PolarHBondContact O-N 3.13Å
1715K61.1Low63.4Low126 Ų12692.7 Ų92.755%0.54846%0.456SS..Hα-helixtrans-87-14.9163.4-82-174.4154.6-162.10114K1711 L1713 H1719K1711-K1715 VanDerWaalsContact C-N 3.25Å; K1711-K1715 WeakPolarHBondContact O-CA 3.09Å; K1711-K1715 WeakPolarHBondContact O-CB 3.41Å; K1711-K1715 WeakPolarHBondContact O-CG 3.09Å; K1711-K1715 PolarHBondContact O-N 2.76Å; L1713-K1715 VanDerWaalsContact C-N 3.28Å; L1713-K1715 CarbonylContact O-C 3.39Å; L1713-K1715 PolarHBondContact O-N 3.39Å; K1715-H1719 VanDerWaalsContact C-N 3.34Å; K1715-H1719 WeakPolarHBondContact O-CA 3.38Å; K1715-H1719 WeakPolarHBondContact O-CB 3.44Å; K1715-H1719 PolarHBondContact O-CD2 3.08Å; K1715-H1719 PolarHBondContact O-N 3.12Å
1716T60.7Low63.6Low61 Ų6193.8 Ų93.837%0.37446%0.458SS..Hα-helixtrans-116.625.1172.7-43.20000111.4L1712 L1713 L1720L1712-T1716 WeakPolarHBondContact CD1-OG1 3.15Å; L1712-T1716 WeakPolarHBondContact CG-OG1 3.32Å; L1712-T1716 WeakPolarHBondContact O-CA 3.2Å; L1712-T1716 WeakPolarHBondContact O-CB 3.23Å; L1712-T1716 PolarHBondContact O-N 3.13Å; L1712-T1716 PolarHBondContact O-OG1 3.12Å; L1713-T1716 CarbonylContact O-C 3.36Å; L1713-T1716 WeakPolarHBondContact O-CA 3.01Å; L1713-T1716 PolarHBondContact O-N 2.78Å; T1716-L1720 WeakPolarHBondContact O-CB 3.2Å; T1716-L1720 PolarHBondContact O-N 3.43Å
1717E65.9Low63.4Low98 Ų9894.5 Ų94.546%0.45846%0.46SS..Hα-helixtrans-135.9-29.1168-83.3-177162.700108.7L1713 L1720 S1721L1713-E1717 HydrophobicContact CD1-CG 4.09Å; L1713-E1717 HydrophobicContact CD2-CG 4.49Å; L1713-E1717 WeakPolarHBondContact CD2-OE1 3.3Å; L1713-E1717 HydrophobicContact CG-CG 3.74Å; L1713-E1717 WeakPolarHBondContact CG-OE2 3.48Å; L1713-E1717 VanDerWaalsContact O-CA 3.31Å; L1713-E1717 WeakPolarHBondContact O-CA 3.4Å; L1713-E1717 WeakPolarHBondContact O-CB 3.01Å; L1713-E1717 PolarHBondContact O-N 3.18Å; E1717-L1720 VanDerWaalsContact N-N 3.17Å; E1717-S1721 VanDerWaalsContact O-CA 3.31Å; E1717-S1721 WeakPolarHBondContact O-CA 3.39Å; E1717-S1721 WeakPolarHBondContact O-CB 3.26Å; E1717-S1721 PolarHBondContact O-N 2.83Å
1718K64.4Low63.7Low133 Ų13397.1 Ų97.158%0.57847%0.466SS*.Hα-helixtrans-80.6-34.7151.3-164-171168.7179.90110.6E1714 S1721 D1722E1714-K1718 WeakPolarHBondContact O-CA 3.34Å; E1714-K1718 WeakPolarHBondContact O-CB 3Å; E1714-K1718 PolarHBondContact O-N 3.13Å; K1718-S1721 CarbonylContact O-C 3.4Å; K1718-S1721 PolarHBondContact O-N 2.87Å; K1718-D1722 VanDerWaalsContact O-CA 3.29Å; K1718-D1722 WeakPolarHBondContact O-CA 2.99Å; K1718-D1722 WeakPolarHBondContact O-CB 3.38Å; K1718-D1722 PolarHBondContact O-N 2.98Å; K1718-D1722 VanDerWaalsContact O-OD2 3.1Å
1719H61.9Low64Low81 Ų8196.3 Ų96.338%0.37546%0.46SS..Hα-helixtrans-81.1-13.2158.5-54.1-52.2000112.7K1715 D1722 I1723K1715-H1719 VanDerWaalsContact C-N 3.34Å; K1715-H1719 WeakPolarHBondContact O-CA 3.38Å; K1715-H1719 WeakPolarHBondContact O-CB 3.44Å; K1715-H1719 PolarHBondContact O-CD2 3.08Å; K1715-H1719 PolarHBondContact O-N 3.12Å; H1719-D1722 IonicContact ND1-OD2 3.44Å; H1719-D1722 PolarHBondContact ND1-OD2 3.34Å; H1719-I1723 HydrophobicContact CB-CD1 4.17Å; H1719-I1723 HydrophobicContact CB-CG1 4.46Å; H1719-I1723 WeakPolarHBondContact O-CA 3.16Å; H1719-I1723 WeakPolarHBondContact O-CB 3.39Å; H1719-I1723 VanDerWaalsContact O-CD1 3.24Å; H1719-I1723 WeakPolarHBondContact O-CD1 3.28Å; H1719-I1723 WeakPolarHBondContact O-CG1 3.28Å; H1719-I1723 PolarHBondContact O-N 2.81Å
1720L66.5Low64.1Low81 Ų81100.4 Ų100.442%0.42447%0.471SS..Hα-helixtrans-77.2-29.3159.9-132.672.3000111T1716 E1717 I1723 E1724T1716-L1720 WeakPolarHBondContact O-CB 3.2Å; T1716-L1720 PolarHBondContact O-N 3.43Å; E1717-L1720 VanDerWaalsContact N-N 3.17Å; L1720-I1723 CarbonylContact O-C 3.54Å; L1720-E1724 HydrophobicContact CG-CG 4.43Å; L1720-E1724 WeakPolarHBondContact O-CA 3.3Å; L1720-E1724 WeakPolarHBondContact O-CB 3.38Å; L1720-E1724 WeakPolarHBondContact O-CG 3.41Å; L1720-E1724 PolarHBondContact O-N 2.78Å
1721S68Low64.1Low47 Ų47101.7 Ų101.733%0.32948%0.477SS..Hα-helixtrans-85.2-30.9177.6-172.40000110.7E1717 K1718 E1724 E1725E1717-S1721 VanDerWaalsContact O-CA 3.31Å; E1717-S1721 WeakPolarHBondContact O-CA 3.39Å; E1717-S1721 WeakPolarHBondContact O-CB 3.26Å; E1717-S1721 PolarHBondContact O-N 2.83Å; K1718-S1721 CarbonylContact O-C 3.4Å; K1718-S1721 PolarHBondContact O-N 2.87Å; S1721-E1724 CarbonylContact O-C 3.57Å; S1721-E1724 PolarHBondContact O-N 2.69Å; S1721-E1725 VanDerWaalsContact O-CA 3.25Å; S1721-E1725 WeakPolarHBondContact O-CA 3.14Å; S1721-E1725 WeakPolarHBondContact O-CB 3.35Å; S1721-E1725 PolarHBondContact O-N 2.87Å
1722D61.3Low64.2Low56 Ų5697.2 Ų97.230%0.29947%0.465SS..Hα-helixtrans-77.2-34170.2-58.5-21.7000107.7K1718 H1719 E1726K1718-D1722 VanDerWaalsContact O-CA 3.29Å; K1718-D1722 WeakPolarHBondContact O-CA 2.99Å; K1718-D1722 WeakPolarHBondContact O-CB 3.38Å; K1718-D1722 PolarHBondContact O-N 2.98Å; K1718-D1722 VanDerWaalsContact O-OD2 3.1Å; H1719-D1722 IonicContact ND1-OD2 3.44Å; H1719-D1722 PolarHBondContact ND1-OD2 3.34Å; D1722-E1726 VanDerWaalsContact O-CA 3.29Å; D1722-E1726 WeakPolarHBondContact O-CA 3.03Å; D1722-E1726 WeakPolarHBondContact O-CB 3.41Å; D1722-E1726 VanDerWaalsContact O-CG 3.27Å; D1722-E1726 WeakPolarHBondContact O-CG 3.39Å; D1722-E1726 PolarHBondContact O-N 3.03Å
1723I56.8Low64.1Low101 Ų10196 Ų9652%0.51846%0.459SS..Hα-helixtrans-81.9-16.1167.8-59.5163.9000111.5H1719 L1720 R1727H1719-I1723 HydrophobicContact CB-CD1 4.17Å; H1719-I1723 HydrophobicContact CB-CG1 4.46Å; H1719-I1723 WeakPolarHBondContact O-CA 3.16Å; H1719-I1723 WeakPolarHBondContact O-CB 3.39Å; H1719-I1723 VanDerWaalsContact O-CD1 3.24Å; H1719-I1723 WeakPolarHBondContact O-CD1 3.28Å; H1719-I1723 WeakPolarHBondContact O-CG1 3.28Å; H1719-I1723 PolarHBondContact O-N 2.81Å; L1720-I1723 CarbonylContact O-C 3.54Å; I1723-R1727 VanDerWaalsContact O-CA 3.23Å; I1723-R1727 WeakPolarHBondContact O-CA 3.07Å; I1723-R1727 WeakPolarHBondContact O-CB 3.48Å; I1723-R1727 PolarHBondContact O-N 2.96Å
1724E68.8Low63.8Low75 Ų7597.1 Ų97.135%0.3546%0.462SS..Hα-helixtrans-95.6-12.3170.7-82.2-174.1-162.600111.8L1720 S1721 R1727 R1728L1720-E1724 HydrophobicContact CG-CG 4.43Å; L1720-E1724 WeakPolarHBondContact O-CA 3.3Å; L1720-E1724 WeakPolarHBondContact O-CB 3.38Å; L1720-E1724 WeakPolarHBondContact O-CG 3.41Å; L1720-E1724 PolarHBondContact O-N 2.78Å; S1721-E1724 CarbonylContact O-C 3.57Å; S1721-E1724 PolarHBondContact O-N 2.69Å; E1724-R1727 CarbonylContact O-C 3.56Å; E1724-R1728 VanDerWaalsContact C-N 3.35Å; E1724-R1728 WeakPolarHBondContact O-CA 3.41Å; E1724-R1728 WeakPolarHBondContact O-CB 2.96Å; E1724-R1728 WeakPolarHBondContact O-CD 3.4Å; E1724-R1728 WeakPolarHBondContact O-CG 3.4Å; E1724-R1728 PolarHBondContact O-N 2.95Å; E1724-R1728 PolarHBondContact O-NE 3.31Å; E1724-R1728 IonicContact OE2-CZ 3.47Å; E1724-R1728 IonicContact OE2-NH2 2.83Å; E1724-R1728 PolarHBondContact OE2-NH2 3.35Å
1725E64.8Low63.9Low104 Ų10497.5 Ų97.549%0.48647%0.467SS..Hα-helixtrans-101.6-32.5172.3-169.2164.7-179.700109S1721 R1727 Q1729S1721-E1725 VanDerWaalsContact O-CA 3.25Å; S1721-E1725 WeakPolarHBondContact O-CA 3.14Å; S1721-E1725 WeakPolarHBondContact O-CB 3.35Å; S1721-E1725 PolarHBondContact O-N 2.87Å; E1725-R1727 VanDerWaalsContact C-N 3.35Å; E1725-Q1729 WeakPolarHBondContact O-CA 3.4Å; E1725-Q1729 WeakPolarHBondContact O-CB 3.23Å; E1725-Q1729 WeakPolarHBondContact O-CG 3.2Å; E1725-Q1729 PolarHBondContact O-N 2.84Å
1726E58.9Low64.1Low143 Ų14398.2 Ų98.267%0.66847%0.466SS*.Hα-helixtrans-73.9-20154.6-68.9-159.1175.600112.5D1722 Q1729 F1730D1722-E1726 VanDerWaalsContact O-CA 3.29Å; D1722-E1726 WeakPolarHBondContact O-CA 3.03Å; D1722-E1726 WeakPolarHBondContact O-CB 3.41Å; D1722-E1726 VanDerWaalsContact O-CG 3.27Å; D1722-E1726 WeakPolarHBondContact O-CG 3.39Å; D1722-E1726 PolarHBondContact O-N 3.03Å; E1726-Q1729 CarbonylContact O-C 3.29Å; E1726-F1730 VanDerWaalsContact O-CA 3.25Å; E1726-F1730 WeakPolarHBondContact O-CA 3.47Å; E1726-F1730 WeakPolarHBondContact O-CB 3.47Å; E1726-F1730 PolarHBondContact O-N 2.87Å
1727R64.3Low64.2Low149 Ų149100.9 Ų100.956%0.56248%0.478SS*.Hα-helixtrans-92-17.2165.2-174.4-179.4170.7-151.50.2113.2I1723 E1724 E1725 D1731I1723-R1727 VanDerWaalsContact O-CA 3.23Å; I1723-R1727 WeakPolarHBondContact O-CA 3.07Å; I1723-R1727 WeakPolarHBondContact O-CB 3.48Å; I1723-R1727 PolarHBondContact O-N 2.96Å; E1724-R1727 CarbonylContact O-C 3.56Å; E1725-R1727 VanDerWaalsContact C-N 3.35Å; R1727-D1731 WeakPolarHBondContact CG-OD1 3.19Å; R1727-D1731 IonicContact NE-OD1 3.6Å; R1727-D1731 IonicContact NE-OD2 3.47Å; R1727-D1731 VanDerWaalsContact O-CA 3.29Å; R1727-D1731 WeakPolarHBondContact O-CA 3.38Å; R1727-D1731 WeakPolarHBondContact O-CB 3.48Å; R1727-D1731 PolarHBondContact O-N 3.26Å
1728R70.7Confident64.3Low157 Ų15798.7 Ų98.759%0.59247%0.473SS*.Hα-helixtrans-80.7-29.4161.3-78.3165.9-135.8174.35.3110.3E1724 A1732E1724-R1728 VanDerWaalsContact C-N 3.35Å; E1724-R1728 WeakPolarHBondContact O-CA 3.41Å; E1724-R1728 WeakPolarHBondContact O-CB 2.96Å; E1724-R1728 WeakPolarHBondContact O-CD 3.4Å; E1724-R1728 WeakPolarHBondContact O-CG 3.4Å; E1724-R1728 PolarHBondContact O-N 2.95Å; E1724-R1728 PolarHBondContact O-NE 3.31Å; E1724-R1728 IonicContact OE2-CZ 3.47Å; E1724-R1728 IonicContact OE2-NH2 2.83Å; E1724-R1728 PolarHBondContact OE2-NH2 3.35Å; R1728-A1732 VanDerWaalsContact O-CA 3.32Å; R1728-A1732 WeakPolarHBondContact O-CA 3.39Å; R1728-A1732 WeakPolarHBondContact O-CB 3.48Å; R1728-A1732 PolarHBondContact O-N 3.02Å
1729Q61.8Low64.6Low109 Ų10995.1 Ų95.151%0.50947%0.465SS..Hα-helixtrans-80.2-29168.8-71.9178.334.400111.4E1725 E1726 N1733E1725-Q1729 WeakPolarHBondContact O-CA 3.4Å; E1725-Q1729 WeakPolarHBondContact O-CB 3.23Å; E1725-Q1729 WeakPolarHBondContact O-CG 3.2Å; E1725-Q1729 PolarHBondContact O-N 2.84Å; E1726-Q1729 CarbonylContact O-C 3.29Å; Q1729-N1733 VanDerWaalsContact O-CA 3.3Å; Q1729-N1733 WeakPolarHBondContact O-CA 3.5Å; Q1729-N1733 WeakPolarHBondContact O-CB 3.34Å; Q1729-N1733 PolarHBondContact O-N 2.93Å; Q1729-N1733 PolarHBondContact O-ND2 2.74Å
1730F62.9Low65Low126 Ų12696.1 Ų96.155%0.55347%0.469SS*.Hα-helixtrans-80-43.1171179.1-80.5000110E1726 A1732 N1733 E1734E1726-F1730 VanDerWaalsContact O-CA 3.25Å; E1726-F1730 WeakPolarHBondContact O-CA 3.47Å; E1726-F1730 WeakPolarHBondContact O-CB 3.47Å; E1726-F1730 PolarHBondContact O-N 2.87Å; F1730-A1732 VanDerWaalsContact C-N 3.31Å; F1730-A1732 PolarHBondContact O-N 2.8Å; F1730-N1733 CarbonylContact O-C 3.58Å; F1730-N1733 VanDerWaalsContact O-C 3.28Å; F1730-N1733 PolarHBondContact O-N 3.37Å; F1730-E1734 HydrophobicContact CD1-CB 4.41Å; F1730-E1734 HydrophobicContact CE1-CB 4.36Å; F1730-E1734 WeakPolarHBondContact O-CA 3.12Å; F1730-E1734 WeakPolarHBondContact O-CB 3.39Å; F1730-E1734 PolarHBondContact O-N 3.32Å
1731D67.2Low65.2Low61 Ų6195.7 Ų95.733%0.32647%0.472SS..Hα-helixtrans-67-31170.7-64.1-3.7000110.5R1727 E1734 L1735R1727-D1731 WeakPolarHBondContact CG-OD1 3.19Å; R1727-D1731 IonicContact NE-OD1 3.6Å; R1727-D1731 IonicContact NE-OD2 3.47Å; R1727-D1731 VanDerWaalsContact O-CA 3.29Å; R1727-D1731 WeakPolarHBondContact O-CA 3.38Å; R1727-D1731 WeakPolarHBondContact O-CB 3.48Å; R1727-D1731 PolarHBondContact O-N 3.26Å; D1731-E1734 CarbonylContact O-C 3.59Å; D1731-L1735 WeakPolarHBondContact O-CB 3.33Å; D1731-L1735 WeakPolarHBondContact O-CD1 3.4Å; D1731-L1735 VanDerWaalsContact O-CG 3.3Å; D1731-L1735 WeakPolarHBondContact O-CG 3.12Å; D1731-L1735 PolarHBondContact O-N 3.37Å
1732A65.9Low65.6Low43 Ų43101.1 Ų101.136%0.35549%0.49SS..Hα-helixtrans-80-26170.200000112.9R1728 F1730 E1734 R1736R1728-A1732 VanDerWaalsContact O-CA 3.32Å; R1728-A1732 WeakPolarHBondContact O-CA 3.39Å; R1728-A1732 WeakPolarHBondContact O-CB 3.48Å; R1728-A1732 PolarHBondContact O-N 3.02Å; F1730-A1732 VanDerWaalsContact C-N 3.31Å; F1730-A1732 PolarHBondContact O-N 2.8Å; A1732-E1734 VanDerWaalsContact C-N 3.35Å; A1732-R1736 WeakPolarHBondContact O-CA 3.34Å; A1732-R1736 WeakPolarHBondContact O-CB 3.44Å; A1732-R1736 WeakPolarHBondContact O-CG 3.28Å; A1732-R1736 PolarHBondContact O-N 2.85Å
1733N59.6Low66.2Low75 Ų75102.9 Ų102.940%0.40150%0.499SS..Hα-helixtrans-83.5-12.5168.6-71.9-27.7000111.5Q1729 F1730 R1736 L1737Q1729-N1733 VanDerWaalsContact O-CA 3.3Å; Q1729-N1733 WeakPolarHBondContact O-CA 3.5Å; Q1729-N1733 WeakPolarHBondContact O-CB 3.34Å; Q1729-N1733 PolarHBondContact O-N 2.93Å; Q1729-N1733 PolarHBondContact O-ND2 2.74Å; F1730-N1733 CarbonylContact O-C 3.58Å; F1730-N1733 VanDerWaalsContact O-C 3.28Å; F1730-N1733 PolarHBondContact O-N 3.37Å; N1733-R1736 CarbonylContact O-C 3.41Å; N1733-L1737 VanDerWaalsContact O-CA 3.31Å; N1733-L1737 WeakPolarHBondContact O-CA 3.29Å; N1733-L1737 WeakPolarHBondContact O-CB 3.47Å; N1733-L1737 VanDerWaalsContact O-CD1 3.26Å; N1733-L1737 WeakPolarHBondContact O-CD1 3.3Å; N1733-L1737 WeakPolarHBondContact O-CG 3.22Å; N1733-L1737 PolarHBondContact O-N 3.07Å
1734E61.7Low66.7Low103 Ų103101.5 Ų101.548%0.48150%0.495SS..Hα-helixtrans-95.8-27.2172.1-172.6178.3-15600108.9F1730 D1731 A1732 S1738F1730-E1734 HydrophobicContact CD1-CB 4.41Å; F1730-E1734 HydrophobicContact CE1-CB 4.36Å; F1730-E1734 WeakPolarHBondContact O-CA 3.12Å; F1730-E1734 WeakPolarHBondContact O-CB 3.39Å; F1730-E1734 PolarHBondContact O-N 3.32Å; D1731-E1734 CarbonylContact O-C 3.59Å; A1732-E1734 VanDerWaalsContact C-N 3.35Å; E1734-S1738 WeakPolarHBondContact O-CA 3.4Å; E1734-S1738 WeakPolarHBondContact O-CB 3.38Å; E1734-S1738 PolarHBondContact O-N 3.36Å; E1734-S1738 PolarHBondContact O-OG 3.02Å
1735L68Low66.9Low119 Ų119100.3 Ų100.362%0.62350%0.498SS*.Hα-helixtrans-74.9-32.1159.8-81.5160.7000111.6D1731 S1738 S1739D1731-L1735 WeakPolarHBondContact O-CB 3.33Å; D1731-L1735 WeakPolarHBondContact O-CD1 3.4Å; D1731-L1735 VanDerWaalsContact O-CG 3.3Å; D1731-L1735 WeakPolarHBondContact O-CG 3.12Å; D1731-L1735 PolarHBondContact O-N 3.37Å; L1735-S1738 WeakPolarHBondContact CA-OG 3.42Å; L1735-S1739 WeakPolarHBondContact O-CA 3.13Å; L1735-S1739 WeakPolarHBondContact O-CB 3.27Å; L1735-S1739 PolarHBondContact O-N 2.88Å; L1735-S1739 PolarHBondContact O-OG 2.81Å
1736R66.2Low67.5Low141 Ų14199.4 Ų99.453%0.53250%0.496SS..Hα-helixtrans-80.1-31.7168.2-71.6171.479.4174.16.7112A1732 N1733 S1739 F1740A1732-R1736 WeakPolarHBondContact O-CA 3.34Å; A1732-R1736 WeakPolarHBondContact O-CB 3.44Å; A1732-R1736 WeakPolarHBondContact O-CG 3.28Å; A1732-R1736 PolarHBondContact O-N 2.85Å; N1733-R1736 CarbonylContact O-C 3.41Å; R1736-S1739 WeakPolarHBondContact CA-OG 3.2Å; R1736-S1739 PolarHBondContact O-OG 2.84Å; R1736-F1740 HydrophobicContact CB-CD2 4.27Å; R1736-F1740 HydrophobicContact CB-CE2 4.19Å; R1736-F1740 WeakPolarHBondContact O-CA 3.31Å; R1736-F1740 WeakPolarHBondContact O-CB 3.5Å; R1736-F1740 WeakPolarHBondContact O-CD2 3.28Å; R1736-F1740 WeakPolarHBondContact O-CG 3.47Å; R1736-F1740 PolarHBondContact O-N 2.96Å
1737L61.8Low68.2Low116 Ų11696.7 Ų96.761%0.60749%0.486SS*.Hα-helixtrans-77.9-26.7171.5-79.5161.2000110.9N1733 S1741N1733-L1737 VanDerWaalsContact O-CA 3.31Å; N1733-L1737 WeakPolarHBondContact O-CA 3.29Å; N1733-L1737 WeakPolarHBondContact O-CB 3.47Å; N1733-L1737 VanDerWaalsContact O-CD1 3.26Å; N1733-L1737 WeakPolarHBondContact O-CD1 3.3Å; N1733-L1737 WeakPolarHBondContact O-CG 3.22Å; N1733-L1737 PolarHBondContact O-N 3.07Å; L1737-S1741 VanDerWaalsContact O-CA 3.29Å; L1737-S1741 WeakPolarHBondContact O-CA 3.41Å; L1737-S1741 WeakPolarHBondContact O-CB 3.24Å; L1737-S1741 PolarHBondContact O-N 3.48Å
1738S68.6Low68.6Low52 Ų5294.3 Ų94.336%0.36448%0.484SS..Hα-helixtrans-85.7-24.117069.70000112.6E1734 L1735 K1742E1734-S1738 WeakPolarHBondContact O-CA 3.4Å; E1734-S1738 WeakPolarHBondContact O-CB 3.38Å; E1734-S1738 PolarHBondContact O-N 3.36Å; E1734-S1738 PolarHBondContact O-OG 3.02Å; L1735-S1738 WeakPolarHBondContact CA-OG 3.42Å; S1738-K1742 WeakPolarHBondContact O-CB 3.49Å; S1738-K1742 VanDerWaalsContact O-CG 3.29Å; S1738-K1742 WeakPolarHBondContact O-CG 3.47Å; S1738-K1742 PolarHBondContact O-N 3.25Å
1739S71.8Confident68.8Low59 Ų5991.4 Ų91.441%0.41348%0.484SS..Hα-helixtrans-77.7-36.2165.881.10000111.4L1735 R1736 K1742 L1743L1735-S1739 WeakPolarHBondContact O-CA 3.13Å; L1735-S1739 WeakPolarHBondContact O-CB 3.27Å; L1735-S1739 PolarHBondContact O-N 2.88Å; L1735-S1739 PolarHBondContact O-OG 2.81Å; R1736-S1739 WeakPolarHBondContact CA-OG 3.2Å; R1736-S1739 PolarHBondContact O-OG 2.84Å; S1739-K1742 CarbonylContact O-C 3.51Å; S1739-K1742 PolarHBondContact O-N 2.91Å; S1739-L1743 WeakPolarHBondContact O-CA 3.27Å; S1739-L1743 WeakPolarHBondContact O-CB 3.46Å; S1739-L1743 PolarHBondContact O-N 2.92Å
1740F70Confident69.6Low102 Ų10293.8 Ų93.845%0.44749%0.488SS..Hα-helixtrans-74.9-25.6169-67.7-41000112.4R1736 L1743 T1744R1736-F1740 HydrophobicContact CB-CD2 4.27Å; R1736-F1740 HydrophobicContact CB-CE2 4.19Å; R1736-F1740 WeakPolarHBondContact O-CA 3.31Å; R1736-F1740 WeakPolarHBondContact O-CB 3.5Å; R1736-F1740 WeakPolarHBondContact O-CD2 3.28Å; R1736-F1740 WeakPolarHBondContact O-CG 3.47Å; R1736-F1740 PolarHBondContact O-N 2.96Å; F1740-L1743 HydrophobicContact CD1-CD2 4.44Å; F1740-L1743 CarbonylContact O-C 3.54Å; F1740-L1743 PolarHBondContact O-N 2.79Å; F1740-T1744 WeakPolarHBondContact O-CB 3.37Å; F1740-T1744 WeakPolarHBondContact O-CG2 3.47Å; F1740-T1744 PolarHBondContact O-N 2.93Å; F1740-T1744 PolarHBondContact O-OG1 3.45Å
1741S70.2Confident70.2Confident71 Ų7192.8 Ų92.850%0.49749%0.488SS..Hα-helixtrans-78.8-34.7169.5176.70000110.4L1737 L1743 T1744 A1745L1737-S1741 VanDerWaalsContact O-CA 3.29Å; L1737-S1741 WeakPolarHBondContact O-CA 3.41Å; L1737-S1741 WeakPolarHBondContact O-CB 3.24Å; L1737-S1741 PolarHBondContact O-N 3.48Å; S1741-L1743 VanDerWaalsContact C-N 3.35Å; S1741-T1744 WeakPolarHBondContact CA-OG1 3.35Å; S1741-A1745 WeakPolarHBondContact O-CA 3.42Å; S1741-A1745 WeakPolarHBondContact O-CB 3.48Å; S1741-A1745 PolarHBondContact O-N 2.97Å
1742K75.8Confident70.6Confident162 Ų16293.6 Ų93.670%0.70449%0.493SS*.Hα-helixtrans-67.1-35.3163.4-82.8179.1175.31760112.1S1738 S1739 A1745 D1746S1738-K1742 WeakPolarHBondContact O-CB 3.49Å; S1738-K1742 VanDerWaalsContact O-CG 3.29Å; S1738-K1742 WeakPolarHBondContact O-CG 3.47Å; S1738-K1742 PolarHBondContact O-N 3.25Å; S1739-K1742 CarbonylContact O-C 3.51Å; S1739-K1742 PolarHBondContact O-N 2.91Å; K1742-A1745 PolarHBondContact O-N 3.02Å; K1742-D1746 WeakPolarHBondContact O-CB 3.5Å; K1742-D1746 PolarHBondContact O-N 2.77Å
1743L73.6Confident71.1Confident93 Ų9394.2 Ų94.249%0.48750%0.498SS..Hα-helixtrans-73.9-37.2177.6-157.284.4000110.2S1739 F1740 S1741 L1747S1739-L1743 WeakPolarHBondContact O-CA 3.27Å; S1739-L1743 WeakPolarHBondContact O-CB 3.46Å; S1739-L1743 PolarHBondContact O-N 2.92Å; F1740-L1743 HydrophobicContact CD1-CD2 4.44Å; F1740-L1743 CarbonylContact O-C 3.54Å; F1740-L1743 PolarHBondContact O-N 2.79Å; S1741-L1743 VanDerWaalsContact C-N 3.35Å; L1743-L1747 HydrophobicContact CD2-CD1 4.13Å; L1743-L1747 HydrophobicContact CG-CD1 4.05Å; L1743-L1747 HydrophobicContact CG-CG 4.49Å; L1743-L1747 WeakPolarHBondContact O-CA 3.39Å; L1743-L1747 WeakPolarHBondContact O-CB 3.26Å; L1743-L1747 WeakPolarHBondContact O-CD1 3.32Å; L1743-L1747 WeakPolarHBondContact O-CG 3.46Å; L1743-L1747 PolarHBondContact O-N 2.88Å
1744T68.3Low71.9Confident72 Ų7294 Ų9444%0.44250%0.501SS..Hα-helixtrans-79-23.2172.1480000112.2F1740 S1741 N1748F1740-T1744 WeakPolarHBondContact O-CB 3.37Å; F1740-T1744 WeakPolarHBondContact O-CG2 3.47Å; F1740-T1744 PolarHBondContact O-N 2.93Å; F1740-T1744 PolarHBondContact O-OG1 3.45Å; S1741-T1744 WeakPolarHBondContact CA-OG1 3.35Å; T1744-N1748 WeakPolarHBondContact O-CA 3.36Å; T1744-N1748 WeakPolarHBondContact O-CB 3.31Å; T1744-N1748 PolarHBondContact O-N 2.89Å; T1744-N1748 PolarHBondContact O-ND2 2.79Å
1745A72.3Confident72.5Confident49 Ų4992.6 Ų92.641%0.40550%0.5SS..Hα-helixtrans-75.4-40.6168.100000111.4S1741 K1742 N1748 V1749S1741-A1745 WeakPolarHBondContact O-CA 3.42Å; S1741-A1745 WeakPolarHBondContact O-CB 3.48Å; S1741-A1745 PolarHBondContact O-N 2.97Å; K1742-A1745 PolarHBondContact O-N 3.02Å; A1745-N1748 CarbonylContact O-C 3.55Å; A1745-N1748 PolarHBondContact O-N 2.84Å; A1745-V1749 VanDerWaalsContact O-CB 3.3Å; A1745-V1749 WeakPolarHBondContact O-CB 3.27Å; A1745-V1749 WeakPolarHBondContact O-CG2 3.45Å; A1745-V1749 PolarHBondContact O-N 2.94Å
1746D77.1Confident73Confident85 Ų8592.9 Ų92.946%0.45550%0.496SS..Hα-helixtrans-73.1-37.7174.3-168.869.1000111K1742 V1749 R1750K1742-D1746 WeakPolarHBondContact O-CB 3.5Å; K1742-D1746 PolarHBondContact O-N 2.77Å; D1746-V1749 PolarHBondContact O-N 2.8Å; D1746-R1750 VanDerWaalsContact O-CB 3.22Å; D1746-R1750 WeakPolarHBondContact O-CB 3.31Å; D1746-R1750 WeakPolarHBondContact O-CG 3.43Å; D1746-R1750 PolarHBondContact O-N 2.92Å; D1746-R1750 IonicContact OD2-NE 2.67Å
1747L74.6Confident73.7Confident86 Ų8691.6 Ų91.645%0.4549%0.494SS..Hα-helixtrans-67.6-35.5168-73.9165000111.3L1743 R1750 L1751L1743-L1747 HydrophobicContact CD2-CD1 4.13Å; L1743-L1747 HydrophobicContact CG-CD1 4.05Å; L1743-L1747 HydrophobicContact CG-CG 4.49Å; L1743-L1747 WeakPolarHBondContact O-CA 3.39Å; L1743-L1747 WeakPolarHBondContact O-CB 3.26Å; L1743-L1747 WeakPolarHBondContact O-CD1 3.32Å; L1743-L1747 WeakPolarHBondContact O-CG 3.46Å; L1743-L1747 PolarHBondContact O-N 2.88Å; L1747-R1750 CarbonylContact O-C 3.59Å; L1747-R1750 PolarHBondContact O-N 2.93Å; L1747-L1751 WeakPolarHBondContact O-CA 3.2Å; L1747-L1751 WeakPolarHBondContact O-CB 3.43Å; L1747-L1751 PolarHBondContact O-N 2.94Å
1748N72.3Confident74.3Confident99 Ų9990.9 Ų90.953%0.52949%0.49SS..Hα-helixtrans-74.1-30.2173.2-79.3-26.7000111.9T1744 A1745 L1751 D1752T1744-N1748 WeakPolarHBondContact O-CA 3.36Å; T1744-N1748 WeakPolarHBondContact O-CB 3.31Å; T1744-N1748 PolarHBondContact O-N 2.89Å; T1744-N1748 PolarHBondContact O-ND2 2.79Å; A1745-N1748 CarbonylContact O-C 3.55Å; A1745-N1748 PolarHBondContact O-N 2.84Å; N1748-L1751 PolarHBondContact O-N 3.4Å; N1748-D1752 WeakPolarHBondContact O-CA 3.18Å; N1748-D1752 WeakPolarHBondContact O-CB 3.44Å; N1748-D1752 PolarHBondContact O-N 3.41Å
1749V76.2Confident74.6Confident96 Ų9691.8 Ų91.858%0.58249%0.491SS*.Hα-helixtrans-72.2-37.5170.9164.70000110.1A1745 D1746 A1753A1745-V1749 VanDerWaalsContact O-CB 3.3Å; A1745-V1749 WeakPolarHBondContact O-CB 3.27Å; A1745-V1749 WeakPolarHBondContact O-CG2 3.45Å; A1745-V1749 PolarHBondContact O-N 2.94Å; D1746-V1749 PolarHBondContact O-N 2.8Å; V1749-A1753 WeakPolarHBondContact O-CA 3.24Å; V1749-A1753 WeakPolarHBondContact O-CB 3.38Å; V1749-A1753 PolarHBondContact O-N 3.31Å
1750R78.4Confident74.9Confident160 Ų16091.9 Ų91.960%0.60449%0.492SS*.Hα-helixtrans-69.6-35.1169.9-77.3171.2156.7-142.1-7112.1D1746 L1747 C1754D1746-R1750 VanDerWaalsContact O-CB 3.22Å; D1746-R1750 WeakPolarHBondContact O-CB 3.31Å; D1746-R1750 WeakPolarHBondContact O-CG 3.43Å; D1746-R1750 PolarHBondContact O-N 2.92Å; D1746-R1750 IonicContact OD2-NE 2.67Å; L1747-R1750 CarbonylContact O-C 3.59Å; L1747-R1750 PolarHBondContact O-N 2.93Å; R1750-C1754 WeakPolarHBondContact O-CB 3.19Å; R1750-C1754 PolarHBondContact O-N 2.89Å; R1750-C1754 PolarHBondContact O-SG 2.94Å
1751L75Confident75.3Confident105 Ų10591.8 Ų91.855%0.5549%0.488SS..Hα-helixtrans-72-45.5176.6-162.684.5000108.6L1747 N1748 A1753 C1754 T1755L1747-L1751 WeakPolarHBondContact O-CA 3.2Å; L1747-L1751 WeakPolarHBondContact O-CB 3.43Å; L1747-L1751 PolarHBondContact O-N 2.94Å; N1748-L1751 PolarHBondContact O-N 3.4Å; L1751-A1753 VanDerWaalsContact C-N 3.33Å; L1751-A1753 PolarHBondContact O-N 3.35Å; L1751-C1754 CarbonylContact O-C 3.6Å; L1751-C1754 PolarHBondContact O-N 3.04Å; L1751-T1755 WeakPolarHBondContact O-CA 3.41Å; L1751-T1755 WeakPolarHBondContact O-CB 3.33Å; L1751-T1755 PolarHBondContact O-N 2.04Å; L1751-T1755 PolarHBondContact O-OG1 2.88Å
1752D75.2Confident75.3Confident78 Ų7891.7 Ų91.742%0.41748%0.484SS..Hα-helixtrans-68.5-30174.9-174.153.3000111.7N1748 K1756N1748-D1752 WeakPolarHBondContact O-CA 3.18Å; N1748-D1752 WeakPolarHBondContact O-CB 3.44Å; N1748-D1752 PolarHBondContact O-N 3.41Å; D1752-K1756 WeakPolarHBondContact O-CB 3.35Å; D1752-K1756 WeakPolarHBondContact O-CD 3.44Å; D1752-K1756 WeakPolarHBondContact O-CG 3.44Å; D1752-K1756 PolarHBondContact O-N 3.23Å; D1752-K1756 IonicContact OD1-NZ 2.77Å; D1752-K1756 WeakPolarHBondContact OD2-CE 3.3Å; D1752-K1756 IonicContact OD2-NZ 3.81Å; D1752-K1756 PolarHBondContact OD2-NZ 2.85Å
1753A77.5Confident75.2Confident56 Ų5688.6 Ų88.646%0.46347%0.471SS..Hα-helixtrans-73.1-39.9168.900000112.4V1749 L1751 F1757V1749-A1753 WeakPolarHBondContact O-CA 3.24Å; V1749-A1753 WeakPolarHBondContact O-CB 3.38Å; V1749-A1753 PolarHBondContact O-N 3.31Å; L1751-A1753 VanDerWaalsContact C-N 3.33Å; L1751-A1753 PolarHBondContact O-N 3.35Å; A1753-F1757 WeakPolarHBondContact O-CB 3.09Å; A1753-F1757 PolarHBondContact O-N 2.69Å
1754C74.9Confident75.3Confident70 Ų7089.5 Ų89.547%0.47347%0.471SS..Hα-helixtrans-68.6-34.9172-81.30000111.3R1750 L1751 F1757 I1758R1750-C1754 WeakPolarHBondContact O-CB 3.19Å; R1750-C1754 PolarHBondContact O-N 2.89Å; R1750-C1754 PolarHBondContact O-SG 2.94Å; L1751-C1754 CarbonylContact O-C 3.6Å; L1751-C1754 PolarHBondContact O-N 3.04Å; C1754-F1757 CarbonylContact O-C 3.01Å; C1754-F1757 PolarHBondContact O-N 2.87Å; C1754-I1758 WeakPolarHBondContact O-CA 3.3Å; C1754-I1758 WeakPolarHBondContact O-CB 3.27Å; C1754-I1758 WeakPolarHBondContact O-CD1 3.49Å; C1754-I1758 WeakPolarHBondContact O-CG1 3.31Å; C1754-I1758 PolarHBondContact O-N 2.78Å
1755T74Confident75.3Confident73 Ų7393 Ų9345%0.44848%0.477SS..Hα-helixtrans-76.2-36.6177-63.50000109.6L1751 D1759L1751-T1755 WeakPolarHBondContact O-CA 3.41Å; L1751-T1755 WeakPolarHBondContact O-CB 3.33Å; L1751-T1755 PolarHBondContact O-N 2.04Å; L1751-T1755 PolarHBondContact O-OG1 2.88Å; T1755-D1759 WeakPolarHBondContact O-CA 3.28Å; T1755-D1759 WeakPolarHBondContact O-CB 3.33Å; T1755-D1759 PolarHBondContact O-N 2.88Å
1756K79.6Confident74.9Confident125 Ų12597.1 Ų97.154%0.54349%0.488SS..Hα-helixtrans-69.1-32.6167-76.5164.5-179.4157.60112.3D1752 S1760D1752-K1756 WeakPolarHBondContact O-CB 3.35Å; D1752-K1756 WeakPolarHBondContact O-CD 3.44Å; D1752-K1756 WeakPolarHBondContact O-CG 3.44Å; D1752-K1756 PolarHBondContact O-N 3.23Å; D1752-K1756 IonicContact OD1-NZ 2.77Å; D1752-K1756 WeakPolarHBondContact OD2-CE 3.3Å; D1752-K1756 IonicContact OD2-NZ 3.81Å; D1752-K1756 PolarHBondContact OD2-NZ 2.85Å; K1756-S1760 WeakPolarHBondContact O-CB 3.47Å; K1756-S1760 PolarHBondContact O-N 3.07Å; K1756-S1760 PolarHBondContact O-OG 3.42Å
1757F81.2Confident74.4Confident115 Ų115100.6 Ų100.650%0.50450%0.501SS..Hα-helixtrans-71.9-42.6174.1-177.8-100.9000111.1A1753 C1754 S1760 R1761A1753-F1757 WeakPolarHBondContact O-CB 3.09Å; A1753-F1757 PolarHBondContact O-N 2.69Å; C1754-F1757 CarbonylContact O-C 3.01Å; C1754-F1757 PolarHBondContact O-N 2.87Å; F1757-S1760 WeakPolarHBondContact CA-OG 3.4Å; F1757-S1760 PolarHBondContact O-N 2.84Å; F1757-S1760 PolarHBondContact O-OG 2.92Å; F1757-R1761 HydrophobicContact CD1-CG 4.1Å; F1757-R1761 HydrophobicContact CE1-CG 3.79Å; F1757-R1761 HydrophobicContact CE2-CG 4.3Å; F1757-R1761 HydrophobicContact CG-CG 4.5Å; F1757-R1761 HydrophobicContact CZ-CG 3.92Å; F1757-R1761 WeakPolarHBondContact O-CB 3.32Å; F1757-R1761 WeakPolarHBondContact O-CG 3.06Å; F1757-R1761 PolarHBondContact O-N 2.65Å
1758I74.7Confident73.3Confident101 Ų10199.5 Ų99.552%0.51850%0.5SS..Hα-helixtrans-65.8-47173.3-72.6162.8000109.3C1754 S1760 R1761 V1762C1754-I1758 WeakPolarHBondContact O-CA 3.3Å; C1754-I1758 WeakPolarHBondContact O-CB 3.27Å; C1754-I1758 WeakPolarHBondContact O-CD1 3.49Å; C1754-I1758 WeakPolarHBondContact O-CG1 3.31Å; C1754-I1758 PolarHBondContact O-N 2.78Å; I1758-S1760 PolarHBondContact O-N 3.46Å; I1758-R1761 CarbonylContact O-C 2.96Å; I1758-R1761 WeakPolarHBondContact O-CA 3.35Å; I1758-R1761 PolarHBondContact O-N 3.05Å; I1758-R1761 VanDerWaalsContact O-N 3.11Å; I1758-V1762 HydrophobicContact CG2-CG2 4.01Å; I1758-V1762 WeakPolarHBondContact O-CA 3.27Å; I1758-V1762 VanDerWaalsContact O-CB 3.24Å; I1758-V1762 WeakPolarHBondContact O-CB 3.49Å; I1758-V1762 WeakPolarHBondContact O-CG2 3.26Å; I1758-V1762 PolarHBondContact O-N 2.96Å
1759D74.3Confident71.6Confident70 Ų70106.2 Ų106.237%0.37454%0.536SS..Hα-helixtrans-66.7-34177.9-177.559.9000111.8T1755 K1763T1755-D1759 WeakPolarHBondContact O-CA 3.28Å; T1755-D1759 WeakPolarHBondContact O-CB 3.33Å; T1755-D1759 PolarHBondContact O-N 2.88Å; D1759-K1763 WeakPolarHBondContact O-CB 3.44Å; D1759-K1763 WeakPolarHBondContact O-CD 3.49Å; D1759-K1763 WeakPolarHBondContact O-CG 3.45Å; D1759-K1763 PolarHBondContact O-N 3.31Å; D1759-K1763 IonicContact OD1-NZ 2.89Å; D1759-K1763 PolarHBondContact OD1-NZ 3.11Å; D1759-K1763 IonicContact OD2-NZ 3.6Å; D1759-K1763 PolarHBondContact OD2-NZ 3.18Å
1760S78.6Confident71.3Confident62 Ų62106.8 Ų106.843%0.43453%0.534SS..Hα-helixtrans-75.1-28.6169.364.80000113.4K1756 F1757 I1758 F1764K1756-S1760 WeakPolarHBondContact O-CB 3.47Å; K1756-S1760 PolarHBondContact O-N 3.07Å; K1756-S1760 PolarHBondContact O-OG 3.42Å; F1757-S1760 WeakPolarHBondContact CA-OG 3.4Å; F1757-S1760 PolarHBondContact O-N 2.84Å; F1757-S1760 PolarHBondContact O-OG 2.92Å; I1758-S1760 PolarHBondContact O-N 3.46Å; S1760-F1764 WeakPolarHBondContact O-CB 3.33Å; S1760-F1764 PolarHBondContact O-N 2.91Å
1761R78.1Confident71Confident100 Ų100103.9 Ų103.938%0.37753%0.53SS..Hα-helixtrans-75.6-38.2172.3-81.2-70.1-168.4159.70.8111.9F1757 I1758 F1764 Y1765F1757-R1761 HydrophobicContact CD1-CG 4.1Å; F1757-R1761 HydrophobicContact CE1-CG 3.79Å; F1757-R1761 HydrophobicContact CE2-CG 4.3Å; F1757-R1761 HydrophobicContact CG-CG 4.5Å; F1757-R1761 HydrophobicContact CZ-CG 3.92Å; F1757-R1761 WeakPolarHBondContact O-CB 3.32Å; F1757-R1761 WeakPolarHBondContact O-CG 3.06Å; F1757-R1761 PolarHBondContact O-N 2.65Å; I1758-R1761 CarbonylContact O-C 2.96Å; I1758-R1761 WeakPolarHBondContact O-CA 3.35Å; I1758-R1761 PolarHBondContact O-N 3.05Å; I1758-R1761 VanDerWaalsContact O-N 3.11Å; R1761-F1764 CarbonylContact O-C 3.52Å; R1761-F1764 WeakPolarHBondContact O-CB 3.48Å; R1761-F1764 PolarHBondContact O-N 3.44Å; R1761-Y1765 HydrophobicContact CB-CD2 4.38Å; R1761-Y1765 HydrophobicContact CB-CE2 4.14Å; R1761-Y1765 PolarHBondContact NH1-OH 3.28Å; R1761-Y1765 VanDerWaalsContact NH1-OH 3.1Å; R1761-Y1765 WeakPolarHBondContact O-CB 3.48Å; R1761-Y1765 WeakPolarHBondContact O-CD2 3.41Å; R1761-Y1765 PolarHBondContact O-N 2.93Å
1762V70.2Confident70.7Confident68 Ų68103.9 Ų103.941%0.41253%0.529SS..Hα-helixtrans-65.6-48.4172.4166.90000107.7I1758 F1764 Y1765 E1766I1758-V1762 HydrophobicContact CG2-CG2 4.01Å; I1758-V1762 WeakPolarHBondContact O-CA 3.27Å; I1758-V1762 VanDerWaalsContact O-CB 3.24Å; I1758-V1762 WeakPolarHBondContact O-CB 3.49Å; I1758-V1762 WeakPolarHBondContact O-CG2 3.26Å; I1758-V1762 PolarHBondContact O-N 2.96Å; V1762-F1764 VanDerWaalsContact C-N 3.32Å; V1762-F1764 PolarHBondContact O-N 3.03Å; V1762-Y1765 CarbonylContact O-C 3.6Å; V1762-Y1765 PolarHBondContact O-N 2.84Å; V1762-E1766 HydrophobicContact CG1-CG 4.3Å; V1762-E1766 VanDerWaalsContact O-CB 3.32Å; V1762-E1766 WeakPolarHBondContact O-CB 3.49Å; V1762-E1766 WeakPolarHBondContact O-CG 3.47Å; V1762-E1766 PolarHBondContact O-N 2.9Å
1763K73.2Confident70.5Confident98 Ų98105.4 Ų105.443%0.42654%0.536SS..Hα-helixtrans-61.5-36.9171.5-76.6164178.5143.10113.2D1759 H1767D1759-K1763 WeakPolarHBondContact O-CB 3.44Å; D1759-K1763 WeakPolarHBondContact O-CD 3.49Å; D1759-K1763 WeakPolarHBondContact O-CG 3.45Å; D1759-K1763 PolarHBondContact O-N 3.31Å; D1759-K1763 IonicContact OD1-NZ 2.89Å; D1759-K1763 PolarHBondContact OD1-NZ 3.11Å; D1759-K1763 IonicContact OD2-NZ 3.6Å; D1759-K1763 PolarHBondContact OD2-NZ 3.18Å; K1763-H1767 WeakPolarHBondContact O-CB 3.44Å; K1763-H1767 PolarHBondContact O-N 3Å; K1763-H1767 PolarHBondContact O-ND1 3.44Å
1764F74.8Confident70Confident111 Ų111108.5 Ų108.549%0.48754%0.54SS..Hα-helixtrans-65.6-43.1173.9176-94.2000111.5S1760 R1761 V1762 H1767 C1768S1760-F1764 WeakPolarHBondContact O-CB 3.33Å; S1760-F1764 PolarHBondContact O-N 2.91Å; R1761-F1764 CarbonylContact O-C 3.52Å; R1761-F1764 WeakPolarHBondContact O-CB 3.48Å; R1761-F1764 PolarHBondContact O-N 3.44Å; V1762-F1764 VanDerWaalsContact C-N 3.32Å; V1762-F1764 PolarHBondContact O-N 3.03Å; F1764-H1767 CarbonylContact O-C 3.59Å; F1764-H1767 PolarHBondContact O-N 2.93Å; F1764-C1768 WeakPolarHBondContact O-CB 3.39Å; F1764-C1768 PolarHBondContact O-N 2.77Å; F1764-C1768 PolarHBondContact O-SG 3.47Å; F1764-C1768 VanDerWaalsContact O-SG 3.41Å
1765Y69.6Low69.7Low146 Ų146111.1 Ų111.157%0.57355%0.545SS*.Hα-helixtrans-75.9-28177.2-63.1-46000113.1R1761 V1762 H1767 C1768R1761-Y1765 HydrophobicContact CB-CD2 4.38Å; R1761-Y1765 HydrophobicContact CB-CE2 4.14Å; R1761-Y1765 PolarHBondContact NH1-OH 3.28Å; R1761-Y1765 VanDerWaalsContact NH1-OH 3.1Å; R1761-Y1765 WeakPolarHBondContact O-CB 3.48Å; R1761-Y1765 WeakPolarHBondContact O-CD2 3.41Å; R1761-Y1765 PolarHBondContact O-N 2.93Å; V1762-Y1765 CarbonylContact O-C 3.6Å; V1762-Y1765 PolarHBondContact O-N 2.84Å; Y1765-H1767 PolarHBondContact O-N 2.69Å; Y1765-C1768 PolarHBondContact O-N 3.07Å
1766E62.9Low69.4Low135 Ų135113.8 Ų113.863%0.63155%0.552SS**Hα-helixtrans-67.1-20.1168.5-80-176.9133.800112.3V1762V1762-E1766 HydrophobicContact CG1-CG 4.3Å; V1762-E1766 VanDerWaalsContact O-CB 3.32Å; V1762-E1766 WeakPolarHBondContact O-CB 3.49Å; V1762-E1766 WeakPolarHBondContact O-CG 3.47Å; V1762-E1766 PolarHBondContact O-N 2.9Å
1767H66.5Low68.6Low158 Ų158112.9 Ų112.973%0.73155%0.553SS**THydrogen-bonded Turntrans-117.113.6179.4-63.777.1000113K1763 F1764 Y1765K1763-H1767 WeakPolarHBondContact O-CB 3.44Å; K1763-H1767 PolarHBondContact O-N 3Å; K1763-H1767 PolarHBondContact O-ND1 3.44Å; F1764-H1767 CarbonylContact O-C 3.59Å; F1764-H1767 PolarHBondContact O-N 2.93Å; Y1765-H1767 PolarHBondContact O-N 2.69Å
1768C51.1Low67.6Low64 Ų64112.8 Ų112.843%0.43256%0.557SS.*  trans-111.1109.1173-90.70000110.3F1764 Y1765F1764-C1768 WeakPolarHBondContact O-CB 3.39Å; F1764-C1768 PolarHBondContact O-N 2.77Å; F1764-C1768 PolarHBondContact O-SG 3.47Å; F1764-C1768 VanDerWaalsContact O-SG 3.41Å; Y1765-C1768 PolarHBondContact O-N 3.07Å
1769D36.9Very low66.9Low240 Ų240113.8 Ų113.8100%1.28356%0.56SS**  trans-59.50154.4-75.7-48.3000111.6

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