A0A087WQN0_MOUSE Loading...

MutS protein homolog 4

Involved in meiotic recombination. Required for reciprocal recombination and proper segregation of homologous chromosomes at meiosis.

AlphaFold DB , UniProt , Accession A0A087WQN0, Species MOUSE (Mus musculus, Mouse), Gene Msh4, Length 764 aa.

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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
1M86.3Confident82.6Confident55 Ų5536.9 Ų36.927%0.27119%0.191SC..  0149.30-176.2173.374.100108.6M12 S14 K28 L29 L32M1-M12 HydrophobicContact CE-CE 4.31Å; M1-S14 WeakPolarHBondContact CE-OG 3.44Å; M1-S14 PolarHBondContact N-O 3.13Å; M1-S14 PolarHBondContact O-N 2.77Å; M1-K28 HydrophobicContact CE-CB 3.96Å; M1-K28 HydrophobicContact CE-CG 3.48Å; M1-K28 VanDerWaalsContact CE-CG 3.48Å; M1-L29 HydrophobicContact SD-CD2 4.21Å; M1-L32 HydrophobicContact CE-CD1 3.86Å
2A89.6Confident83Confident18 Ų1834.8 Ų34.815%0.14918%0.18CC..EExtended strand (participates in β ladder)trans-134.4140.4169.500000107.6M12 L13 A106 A107 L110A2-M12 WeakPolarHBondContact CA-O 3.27Å; A2-L13 HydrophobicContact CB-CD2 3.77Å; A2-A106 HydrophobicContact CB-CB 3.92Å; A2-A107 HydrophobicContact CB-CB 4.09Å; A2-L110 HydrophobicContact CB-CD2 3.97Å
3S89.4Confident83.3Confident21 Ų2132.1 Ų32.115%0.14717%0.166CC..EExtended strand (participates in β ladder)trans-134.9146.6174.456.30000110.4M12S3-M12 PolarHBondContact N-O 3.31Å; S3-M12 PolarHBondContact O-N 2.78Å; S3-M12 WeakPolarHBondContact OG-CE 3.35Å
4I88.2Confident83.4Confident28 Ų2829.9 Ų29.914%0.14416%0.155CC..EExtended strand (participates in β ladder)trans-131.1129.4177.2-169.1169000107.1L6 I11 L110 L111 V114 Y122I4-L6 HydrophobicContact CG2-CD2 4.5Å; I4-I11 HydrophobicContact CB-CG1 4.4Å; I4-I11 HydrophobicContact CD1-CD1 4.14Å; I4-I11 HydrophobicContact CD1-CG1 3.92Å; I4-I11 HydrophobicContact CG1-CG1 4.01Å; I4-L110 HydrophobicContact CB-CD2 3.86Å; I4-L110 HydrophobicContact CB-CG 4.38Å; I4-L110 HydrophobicContact CG2-CD1 3.77Å; I4-L110 HydrophobicContact CG2-CD2 3.77Å; I4-L110 HydrophobicContact CG2-CG 3.81Å; I4-L111 HydrophobicContact CD1-CD2 4.41Å; I4-V114 HydrophobicContact CG2-CG2 3.85Å; I4-Y122 HydrophobicContact CD1-CE2 3.71Å; I4-Y122 VanDerWaalsContact CD1-OH 3.3Å; I4-Y122 WeakPolarHBondContact CD1-OH 3.47Å
5D82.3Confident83.1Confident59 Ų5930.9 Ų30.932%0.31616%0.159SC..  trans-89.3126.3169.4176.78.9000107.5K7 S8D5-K7 PolarHBondContact O-N 3.07Å; D5-K7 WeakPolarHBondContact OD1-CB 3.32Å; D5-K7 PolarHBondContact OD1-N 2.87Å; D5-S8 CarbonylContact C-O 3.53Å; D5-S8 VanDerWaalsContact CB-OG 3.25Å; D5-S8 WeakPolarHBondContact CB-OG 3.49Å; D5-S8 VanDerWaalsContact CG-OG 3.3Å; D5-S8 CarbonylContact O-C 3.6Å; D5-S8 PolarHBondContact O-N 3.48Å; D5-S8 WeakPolarHBondContact OD2-CB 3.35Å; D5-S8 PolarHBondContact OD2-N 3.01Å; D5-S8 PolarHBondContact OD2-OG 2.81Å
6L78.8Confident82.8Confident71 Ų7132.7 Ų32.737%0.37217%0.165SC..SBendtrans-74.9-16177.7-60.8177.6000111.8I4 V114 S228I4-L6 HydrophobicContact CG2-CD2 4.5Å; L6-V114 HydrophobicContact CD2-CG1 3.95Å; L6-V114 HydrophobicContact CD2-CG2 4.27Å; L6-S228 PolarHBondContact O-OG 3.14Å
7K71.3Confident81.8Confident119 Ų11935.8 Ų35.852%0.51720%0.197SC..SBendtrans-91.1-14.9174.9-60.4-178.1-178.11770112.8D5 E224 Q225 S228D5-K7 PolarHBondContact O-N 3.07Å; D5-K7 WeakPolarHBondContact OD1-CB 3.32Å; D5-K7 PolarHBondContact OD1-N 2.87Å; K7-E224 CarbonylContact O-C 3.52Å; K7-Q225 WeakPolarHBondContact O-CA 3.2Å; K7-Q225 PolarHBondContact O-N 3.04Å; K7-Q225 VanDerWaalsContact O-N 3.12Å; K7-S228 WeakPolarHBondContact O-CB 3.46Å
8S74Confident81Confident8 Ų836.2 Ų36.26%0.05620%0.199CC..SBendtrans-132.4129.2174.465.30000109D5 Q10D5-S8 CarbonylContact C-O 3.53Å; D5-S8 VanDerWaalsContact CB-OG 3.25Å; D5-S8 WeakPolarHBondContact CB-OG 3.49Å; D5-S8 VanDerWaalsContact CG-OG 3.3Å; D5-S8 CarbonylContact O-C 3.6Å; D5-S8 PolarHBondContact O-N 3.48Å; D5-S8 WeakPolarHBondContact OD2-CB 3.35Å; D5-S8 PolarHBondContact OD2-N 3.01Å; D5-S8 PolarHBondContact OD2-OG 2.81Å; S8-Q10 PolarHBondContact O-N 3.48Å
9P78.7Confident80.3Confident1 Ų136.7 Ų36.71%0.00620%0.201CC..  trans-77.461.5-174.727.9-27000110.9L127 K128 L227 V231 Y439P9-L127 HydrophobicContact CB-CD2 3.79Å; P9-K128 PolarHBondContact O-N 3.35Å; P9-L227 VanDerWaalsContact CG-C 3.48Å; P9-L227 HydrophobicContact CG-CB 3.6Å; P9-V231 HydrophobicContact CB-CB 4.11Å; P9-V231 HydrophobicContact CB-CG1 4.43Å; P9-V231 HydrophobicContact CB-CG2 4.18Å; P9-V231 HydrophobicContact CG-CG2 4.25Å; P9-Y439 HydrophobicContact CB-CE1 4.47Å; P9-Y439 VanDerWaalsContact CB-OH 3.26Å; P9-Y439 WeakPolarHBondContact CB-OH 3.44Å; P9-Y439 HydrophobicContact CG-CE1 3.71Å; P9-Y439 WeakPolarHBondContact CG-OH 3.47Å; P9-Y439 WeakPolarHBondContact O-CE1 3.48Å; P9-Y439 PolarHBondContact O-OH 2.8Å
10Q83.3Confident79.5Confident23 Ų2341.2 Ų41.211%0.10723%0.23CC..EExtended strand (participates in β ladder)trans-128.2134.7-175.6-51.8-168.21000109.3S8 K128 Y130 Y439S8-Q10 PolarHBondContact O-N 3.48Å; Q10-K128 CarbonylContact C-O 3.56Å; Q10-K128 VanDerWaalsContact CA-O 3.25Å; Q10-K128 WeakPolarHBondContact CA-O 3.46Å; Q10-K128 HydrophobicContact CG-CB 4.21Å; Q10-K128 HydrophobicContact CG-CD 4.24Å; Q10-Y130 HydrophobicContact CB-CE1 4.3Å; Q10-Y439 HydrophobicContact CG-CE1 4.23Å
11I87.3Confident78.7Confident3 Ų342.2 Ų42.22%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-114.8121.2171.4-60.8179.1000107.8I4 L13 L111 L127 K128 I129 Y130I4-I11 HydrophobicContact CB-CG1 4.4Å; I4-I11 HydrophobicContact CD1-CD1 4.14Å; I4-I11 HydrophobicContact CD1-CG1 3.92Å; I4-I11 HydrophobicContact CG1-CG1 4.01Å; I11-L13 HydrophobicContact CG2-CD2 3.82Å; I11-L13 HydrophobicContact CG2-CG 4.32Å; I11-L111 HydrophobicContact CD1-CD1 4.17Å; I11-L111 HydrophobicContact CD1-CD2 3.54Å; I11-L111 HydrophobicContact CD1-CG 4.03Å; I11-L127 HydrophobicContact CD1-CD1 3.68Å; I11-L127 HydrophobicContact CG1-CD1 4.33Å; I11-K128 PolarHBondContact N-O 3.49Å; I11-I129 HydrophobicContact CB-CG1 4.19Å; I11-I129 HydrophobicContact CB-CG2 4.33Å; I11-I129 HydrophobicContact CD1-CD1 4.35Å; I11-I129 HydrophobicContact CD1-CG1 4.46Å; I11-I129 HydrophobicContact CG2-CG2 4.48Å; I11-I129 WeakPolarHBondContact O-CA 3.29Å; I11-Y130 PolarHBondContact O-N 3.03Å
12M86.8Confident78Confident11 Ų1143.3 Ų43.35%0.05424%0.239CC..EExtended strand (participates in β ladder)trans-101.3118.9177.5-177-175.1103.600108.8M1 A2 S3 K28 L32 Y130 Q132M1-M12 HydrophobicContact CE-CE 4.31Å; A2-M12 WeakPolarHBondContact CA-O 3.27Å; S3-M12 PolarHBondContact N-O 3.31Å; S3-M12 PolarHBondContact O-N 2.78Å; S3-M12 WeakPolarHBondContact OG-CE 3.35Å; M12-K28 HydrophobicContact CE-CG 4.28Å; M12-L32 HydrophobicContact CE-CD1 3.8Å; M12-L32 HydrophobicContact CE-CD2 3.75Å; M12-L32 HydrophobicContact CE-CG 4.12Å; M12-L32 HydrophobicContact SD-CD2 4.04Å; M12-Y130 HydrophobicContact CB-CE1 4.37Å; M12-Y130 HydrophobicContact CB-CE2 4.09Å; M12-Y130 HydrophobicContact CG-CD2 4.47Å; M12-Y130 HydrophobicContact CG-CE2 3.66Å; M12-Y130 HydrophobicContact SD-CE2 4.44Å; M12-Q132 VanDerWaalsContact CE-OE1 3.32Å; M12-Q132 HydrophobicContact CG-CB 4.18Å; M12-Q132 PolarHBondContact SD-OE1 3.37Å
13L86.5Confident76.8Confident0 Ų042.9 Ų42.90%024%0.235CC..EExtended strand (participates in β ladder)trans-103134.1175.7-57.1-179.7000108.8A2 I11 I82 V97 C103 A107 I129 Y130 F131 Q132A2-L13 HydrophobicContact CB-CD2 3.77Å; I11-L13 HydrophobicContact CG2-CD2 3.82Å; I11-L13 HydrophobicContact CG2-CG 4.32Å; L13-I82 HydrophobicContact CD1-CD1 3.74Å; L13-V97 HydrophobicContact CD1-CG1 4.11Å; L13-V97 HydrophobicContact CD1-CG2 4.12Å; L13-C103 HydrophobicContact CB-CB 4.49Å; L13-A107 HydrophobicContact CD2-CB 3.65Å; L13-I129 HydrophobicContact CD1-CG2 3.82Å; L13-I129 HydrophobicContact CG-CG2 4.2Å; L13-Y130 PolarHBondContact N-O 2.89Å; L13-F131 HydrophobicContact CB-CD2 4.07Å; L13-F131 CarbonylContact O-C 3.58Å; L13-F131 WeakPolarHBondContact O-CA 3.48Å; L13-Q132 PolarHBondContact O-N 3.26Å
14S85.4Confident76Confident2 Ų246.2 Ų46.21%0.01425%0.247CC..  trans-141.5138.9176.250.90000111M1 Q132M1-S14 WeakPolarHBondContact CE-OG 3.44Å; M1-S14 PolarHBondContact N-O 3.13Å; M1-S14 PolarHBondContact O-N 2.77Å; S14-Q132 WeakPolarHBondContact CB-O 3.28Å
15Q79.1Confident75.6Confident45 Ų4546.1 Ų46.121%0.2125%0.247CC..  trans-141.1111.5172.7-175.7172-4100109.3R100 C103 F131Q15-R100 PolarHBondContact OE1-O 3.35Å; Q15-C103 HydrophobicContact CB-CB 4.26Å; Q15-F131 HydrophobicContact CB-CE2 4.01Å; Q15-F131 HydrophobicContact CB-CZ 4.19Å
16F77.6Confident75.4Confident59 Ų5944 Ų4426%0.25924%0.236SC..  trans-138.1152.7179.749.7-94.2000109.9K24 V25F16-K24 HydrophobicContact CD2-CB 3.9Å; F16-K24 HydrophobicContact CD2-CD 4.14Å; F16-K24 HydrophobicContact CE2-CB 3.53Å; F16-K24 HydrophobicContact CZ-CB 4.35Å; F16-V25 HydrophobicContact CE2-CG2 3.7Å; F16-V25 HydrophobicContact CZ-CG2 3.96Å
17A66.4Low75.1Confident86 Ų8641.4 Ų41.471%0.71122%0.223SC*.  trans-79.1138167.500000109
18D67.9Low75.4Confident43 Ų4336.7 Ų36.723%0.2320%0.203CC..  trans-120.1162.6177.7-147.2-15000110.5Y22 A23 K24 V25D18-Y22 HydrophobicContact CB-CD1 4.25Å; D18-Y22 VanDerWaalsContact CG-CA 3.49Å; D18-Y22 WeakPolarHBondContact OD2-CA 3.32Å; D18-A23 PolarHBondContact OD1-N 3.42Å; D18-K24 PolarHBondContact OD1-N 3.42Å; D18-K24 PolarHBondContact OD2-N 3.34Å; D18-K24 VanDerWaalsContact OD2-N 3.14Å; D18-V25 WeakPolarHBondContact OD2-CG2 3.38Å; D18-V25 PolarHBondContact OD2-N 3.49Å
19N66.3Low75.9Confident46 Ų4636.9 Ų36.925%0.24620%0.203CC..  trans-81.1175.1174.658.618.4000110.8T21 Y22 A23 N577N19-T21 VanDerWaalsContact CG-OG1 3.27Å; N19-T21 PolarHBondContact ND2-OG1 3.28Å; N19-T21 PolarHBondContact O-N 3.19Å; N19-T21 VanDerWaalsContact O-N 3.11Å; N19-T21 PolarHBondContact OD1-N 3.38Å; N19-T21 PolarHBondContact OD1-OG1 3.07Å; N19-Y22 PolarHBondContact O-N 3.12Å; N19-Y22 PolarHBondContact OD1-N 3.18Å; N19-A23 PolarHBondContact OD1-N 2.84Å; N19-N577 PolarHBondContact ND2-OD1 3.25Å
20T64.6Low75.8Confident126 Ų12638.5 Ų38.577%0.77321%0.21SC*.THydrogen-bonded Turntrans-63-16.8-179.8500000113.6
21T62.5Low75.5Confident62 Ų6238.4 Ų38.438%0.3821%0.212SC..THydrogen-bonded Turntrans-92.8-2.3176.256.30000113.5N19 A23N19-T21 VanDerWaalsContact CG-OG1 3.27Å; N19-T21 PolarHBondContact ND2-OG1 3.28Å; N19-T21 PolarHBondContact O-N 3.19Å; N19-T21 VanDerWaalsContact O-N 3.11Å; N19-T21 PolarHBondContact OD1-N 3.38Å; N19-T21 PolarHBondContact OD1-OG1 3.07Å; T21-A23 PolarHBondContact O-N 2.81Å
22Y71.6Confident75.2Confident79 Ų7940.9 Ų40.931%0.3123%0.225SC..  trans52.135.1178.5-63.6-79.1000114.7D18 N19 K24 V25 I26 L52 L55D18-Y22 HydrophobicContact CB-CD1 4.25Å; D18-Y22 VanDerWaalsContact CG-CA 3.49Å; D18-Y22 WeakPolarHBondContact OD2-CA 3.32Å; N19-Y22 PolarHBondContact O-N 3.12Å; N19-Y22 PolarHBondContact OD1-N 3.18Å; Y22-K24 VanDerWaalsContact C-N 3.34Å; Y22-K24 PolarHBondContact O-N 2.86Å; Y22-V25 PolarHBondContact O-N 3.31Å; Y22-I26 WeakPolarHBondContact O-CG1 3.15Å; Y22-I26 PolarHBondContact O-N 3.16Å; Y22-L52 HydrophobicContact CD1-CD1 3.73Å; Y22-L52 HydrophobicContact CD2-CB 4.3Å; Y22-L52 HydrophobicContact CD2-CD1 4.01Å; Y22-L52 HydrophobicContact CE1-CB 4.5Å; Y22-L52 HydrophobicContact CE1-CD1 4.23Å; Y22-L52 HydrophobicContact CE2-CB 4.05Å; Y22-L52 HydrophobicContact CE2-CD1 4.49Å; Y22-L52 HydrophobicContact CG-CD1 3.59Å; Y22-L55 HydrophobicContact CD2-CD1 3.89Å
23A66Low74.8Confident8 Ų843.4 Ų43.47%0.06624%0.243CC..Hα-helixtrans-65.8-36.7-17100000113D18 N19 T21 I26 T27 M139 Y573D18-A23 PolarHBondContact OD1-N 3.42Å; N19-A23 PolarHBondContact OD1-N 2.84Å; T21-A23 PolarHBondContact O-N 2.81Å; A23-I26 PolarHBondContact O-N 3.46Å; A23-T27 PolarHBondContact O-N 3.34Å; A23-T27 PolarHBondContact O-OG1 2.69Å; A23-M139 HydrophobicContact CB-CE 3.89Å; A23-Y573 HydrophobicContact CB-CE2 3.48Å; A23-Y573 VanDerWaalsContact CB-CE2 3.48Å; A23-Y573 VanDerWaalsContact CB-OH 3.25Å; A23-Y573 WeakPolarHBondContact CB-OH 3.42Å
24K71.1Confident74.7Confident92 Ų9244.8 Ų44.840%0.425%0.252SS..Hα-helixtrans-66.8-39.6177.9-63.8-179.5-179.31780111.2F16 D18 Y22 K28F16-K24 HydrophobicContact CD2-CB 3.9Å; F16-K24 HydrophobicContact CD2-CD 4.14Å; F16-K24 HydrophobicContact CE2-CB 3.53Å; F16-K24 HydrophobicContact CZ-CB 4.35Å; D18-K24 PolarHBondContact OD1-N 3.42Å; D18-K24 PolarHBondContact OD2-N 3.34Å; D18-K24 VanDerWaalsContact OD2-N 3.14Å; Y22-K24 VanDerWaalsContact C-N 3.34Å; Y22-K24 PolarHBondContact O-N 2.86Å; K24-K28 WeakPolarHBondContact O-CB 3.17Å; K24-K28 PolarHBondContact O-N 3.31Å
25V79.6Confident74.7Confident25 Ų2551.8 Ų51.815%0.15229%0.288CS..Hα-helixtrans-62.3-46.6174.5174.10000110.6F16 D18 Y22 K28 L29 L52F16-V25 HydrophobicContact CE2-CG2 3.7Å; F16-V25 HydrophobicContact CZ-CG2 3.96Å; D18-V25 WeakPolarHBondContact OD2-CG2 3.38Å; D18-V25 PolarHBondContact OD2-N 3.49Å; Y22-V25 PolarHBondContact O-N 3.31Å; V25-K28 PolarHBondContact O-N 2.77Å; V25-L29 HydrophobicContact CG1-CD1 3.93Å; V25-L29 HydrophobicContact CG1-CG 4.31Å; V25-L29 VanDerWaalsContact O-CG 3.3Å; V25-L29 WeakPolarHBondContact O-CG 3.49Å; V25-L29 PolarHBondContact O-N 3.45Å; V25-L52 HydrophobicContact CG1-CD1 4.2Å
26I78.3Confident75.1Confident15 Ų1552.7 Ų52.78%0.07729%0.293CS..Hα-helixtrans-61.7-50.7-179.7-66.6165000110.7Y22 A23 K28 L29 Q30 F60Y22-I26 WeakPolarHBondContact O-CG1 3.15Å; Y22-I26 PolarHBondContact O-N 3.16Å; A23-I26 PolarHBondContact O-N 3.46Å; I26-K28 VanDerWaalsContact C-N 3.31Å; I26-K28 PolarHBondContact O-N 3.3Å; I26-L29 PolarHBondContact O-N 3.09Å; I26-L29 VanDerWaalsContact O-N 3.15Å; I26-Q30 WeakPolarHBondContact O-CG 3.47Å; I26-Q30 PolarHBondContact O-N 2.94Å; I26-F60 HydrophobicContact CG2-CE2 4.44Å
27T72.8Confident75.6Confident17 Ų1750.6 Ų50.610%0.10428%0.284CS..Hα-helixtrans-56.3-46176.4-64.10000111A23 L29 Q30 V31 I140A23-T27 PolarHBondContact O-N 3.34Å; A23-T27 PolarHBondContact O-OG1 2.69Å; T27-L29 VanDerWaalsContact C-N 3.32Å; T27-L29 PolarHBondContact O-N 3.31Å; T27-Q30 WeakPolarHBondContact O-CB 3.24Å; T27-Q30 PolarHBondContact O-N 3.28Å; T27-Q30 VanDerWaalsContact O-N 3.07Å; T27-V31 WeakPolarHBondContact O-CG2 3.38Å; T27-V31 PolarHBondContact O-N 3.33Å; T27-I140 VanDerWaalsContact CG2-O 3.25Å; T27-I140 WeakPolarHBondContact CG2-O 3.23Å; T27-I140 PolarHBondContact OG1-O 3.42Å
28K78.3Confident76.7Confident19 Ų1948.3 Ų48.38%0.08326%0.259CS..Hα-helixtrans-64.5-36.5179.9-154.471.4-177.9172.30112.3M1 M12 K24 V25 I26 Q30 V31 L32 Q132 E135 E185M1-K28 HydrophobicContact CE-CB 3.96Å; M1-K28 HydrophobicContact CE-CG 3.48Å; M1-K28 VanDerWaalsContact CE-CG 3.48Å; M12-K28 HydrophobicContact CE-CG 4.28Å; K24-K28 WeakPolarHBondContact O-CB 3.17Å; K24-K28 PolarHBondContact O-N 3.31Å; V25-K28 PolarHBondContact O-N 2.77Å; I26-K28 VanDerWaalsContact C-N 3.31Å; I26-K28 PolarHBondContact O-N 3.3Å; K28-Q30 VanDerWaalsContact C-N 3.32Å; K28-Q30 PolarHBondContact O-N 3.4Å; K28-V31 PolarHBondContact O-N 2.82Å; K28-L32 HydrophobicContact CG-CD1 4.49Å; K28-L32 WeakPolarHBondContact O-CB 3.31Å; K28-L32 VanDerWaalsContact O-CG 3.24Å; K28-L32 WeakPolarHBondContact O-CG 3.29Å; K28-L32 PolarHBondContact O-N 2.83Å; K28-Q132 VanDerWaalsContact NZ-CD 3.27Å; K28-E135 IonicContact NZ-OE2 3.67Å; K28-E135 PolarHBondContact NZ-OE2 2.93Å; K28-E135 VanDerWaalsContact NZ-OE2 3.07Å; K28-E185 IonicContact NZ-OE1 3.35Å; K28-E185 PolarHBondContact NZ-OE1 3.43Å; K28-E185 IonicContact NZ-OE2 3.83Å
29L84Confident77.6Confident13 Ų1347.6 Ų47.67%0.06826%0.255CS..Hα-helixtrans-66.6-32.1173.6-70.2173.2000112.3M1 V25 I26 T27 S33 P34 I37 I56 F60M1-L29 HydrophobicContact SD-CD2 4.21Å; V25-L29 HydrophobicContact CG1-CD1 3.93Å; V25-L29 HydrophobicContact CG1-CG 4.31Å; V25-L29 VanDerWaalsContact O-CG 3.3Å; V25-L29 WeakPolarHBondContact O-CG 3.49Å; V25-L29 PolarHBondContact O-N 3.45Å; I26-L29 PolarHBondContact O-N 3.09Å; I26-L29 VanDerWaalsContact O-N 3.15Å; T27-L29 VanDerWaalsContact C-N 3.32Å; T27-L29 PolarHBondContact O-N 3.31Å; L29-S33 WeakPolarHBondContact O-CA 3.24Å; L29-S33 PolarHBondContact O-N 2.97Å; L29-P34 HydrophobicContact CD2-CG 4.19Å; L29-P34 WeakPolarHBondContact O-CD 3.38Å; L29-I37 HydrophobicContact CD1-CD1 4.27Å; L29-I37 HydrophobicContact CD2-CD1 4.26Å; L29-I56 HydrophobicContact CD1-CD1 3.95Å; L29-I56 HydrophobicContact CD1-CG1 4.03Å; L29-I56 HydrophobicContact CD1-CG2 3.91Å; L29-F60 HydrophobicContact CB-CE1 4.27Å; L29-F60 HydrophobicContact CB-CE2 3.83Å; L29-F60 HydrophobicContact CB-CZ 3.47Å; L29-F60 VanDerWaalsContact CB-CZ 3.47Å; L29-F60 HydrophobicContact CD1-CE2 4.1Å
30Q76.8Confident78.5Confident34 Ų3446.3 Ų46.316%0.15925%0.25CC..Hα-helixtrans-71.9-39.2175.5-68-175.1-43.100113.1I26 T27 K28 L32 S33 F60 S142I26-Q30 WeakPolarHBondContact O-CG 3.47Å; I26-Q30 PolarHBondContact O-N 2.94Å; T27-Q30 WeakPolarHBondContact O-CB 3.24Å; T27-Q30 PolarHBondContact O-N 3.28Å; T27-Q30 VanDerWaalsContact O-N 3.07Å; K28-Q30 VanDerWaalsContact C-N 3.32Å; K28-Q30 PolarHBondContact O-N 3.4Å; Q30-L32 VanDerWaalsContact C-N 3.33Å; Q30-S33 PolarHBondContact O-N 3.08Å; Q30-F60 HydrophobicContact CG-CE1 3.94Å; Q30-F60 HydrophobicContact CG-CZ 3.6Å; Q30-S142 VanDerWaalsContact CD-CB 3.47Å; Q30-S142 PolarHBondContact NE2-OG 3.31Å
31V76.8Confident79.3Confident22 Ų2243.5 Ų43.513%0.13323%0.23CC..Hα-helixtrans-59.7-47.6173173.70000110T27 K28 L184 E185T27-V31 WeakPolarHBondContact O-CG2 3.38Å; T27-V31 PolarHBondContact O-N 3.33Å; K28-V31 PolarHBondContact O-N 2.82Å; V31-L184 HydrophobicContact CB-CD1 4.4Å; V31-L184 HydrophobicContact CG2-CB 3.91Å; V31-L184 HydrophobicContact CG2-CD1 4Å; V31-E185 HydrophobicContact CG1-CG 4.35Å; V31-E185 HydrophobicContact CG2-CG 3.7Å; V31-E185 WeakPolarHBondContact CG2-OE1 3.12Å
32L80.1Confident79.9Confident55 Ų5544.1 Ų44.129%0.28823%0.234SC..Hα-helixtrans-70.4-30.9178.8-69.3172.8000112.9M1 M12 K28 Q30M1-L32 HydrophobicContact CE-CD1 3.86Å; M12-L32 HydrophobicContact CE-CD1 3.8Å; M12-L32 HydrophobicContact CE-CD2 3.75Å; M12-L32 HydrophobicContact CE-CG 4.12Å; M12-L32 HydrophobicContact SD-CD2 4.04Å; K28-L32 HydrophobicContact CG-CD1 4.49Å; K28-L32 WeakPolarHBondContact O-CB 3.31Å; K28-L32 VanDerWaalsContact O-CG 3.24Å; K28-L32 WeakPolarHBondContact O-CG 3.29Å; K28-L32 PolarHBondContact O-N 2.83Å; Q30-L32 VanDerWaalsContact C-N 3.33Å
33S78.4Confident79.6Confident63 Ų6341 Ų4144%0.44122%0.224SC..  trans45.360.9-174.154.60000112.9L29 Q30L29-S33 WeakPolarHBondContact O-CA 3.24Å; L29-S33 PolarHBondContact O-N 2.97Å; Q30-S33 PolarHBondContact O-N 3.08Å
34P85.1Confident79.2Confident29 Ų2942.4 Ų42.419%0.18823%0.233CC..  trans-65.6141.4-170.729-36.6000111.8L29 E36 I37 V63L29-P34 HydrophobicContact CD2-CG 4.19Å; L29-P34 WeakPolarHBondContact O-CD 3.38Å; P34-E36 VanDerWaalsContact C-N 3.35Å; P34-I37 HydrophobicContact CB-CG1 4.07Å; P34-I37 HydrophobicContact CG-CD1 3.85Å; P34-I37 HydrophobicContact CG-CG1 3.71Å; P34-V63 HydrophobicContact CG-CG1 4.43Å; P34-V63 WeakPolarHBondContact O-CG2 3.48Å
35L84.5Confident78.7Confident149 Ų14941.9 Ų41.978%0.7824%0.238SC*.SBendtrans-72.6-34.2170.2-66.3170.8000111.5N64L35-N64 PolarHBondContact O-N 3.34Å
36E87.9Confident77.3Confident65 Ų6548 Ų4830%0.30427%0.274SS..EExtended strand (participates in β ladder)trans-148.1136.9-175.9-177.5159.1-14100110P34 N64 T66 Y113P34-E36 VanDerWaalsContact C-N 3.35Å; E36-N64 CarbonylContact C-O 3.57Å; E36-N64 VanDerWaalsContact CA-O 3.31Å; E36-N64 WeakPolarHBondContact CA-O 3.49Å; E36-N64 HydrophobicContact CB-CB 4.47Å; E36-N64 HydrophobicContact CG-CB 4.26Å; E36-T66 WeakPolarHBondContact OE1-CB 3.39Å; E36-T66 PolarHBondContact OE1-OG1 2.94Å; E36-Y113 PolarHBondContact OE1-OH 3.15Å; E36-Y113 PolarHBondContact OE2-OH 3.22Å
37I89.4Confident76.1Confident15 Ų1551.2 Ų51.28%0.07731%0.312CS..EExtended strand (participates in β ladder)trans-112.1125.5178.1-66170.7000108.9L29 P34 M39 I56 V63 N64 F65 T66L29-I37 HydrophobicContact CD1-CD1 4.27Å; L29-I37 HydrophobicContact CD2-CD1 4.26Å; P34-I37 HydrophobicContact CB-CG1 4.07Å; P34-I37 HydrophobicContact CG-CD1 3.85Å; P34-I37 HydrophobicContact CG-CG1 3.71Å; I37-M39 HydrophobicContact CG2-CG 4.26Å; I37-I56 HydrophobicContact CD1-CG2 3.63Å; I37-V63 HydrophobicContact CB-CG1 4.41Å; I37-V63 HydrophobicContact CD1-CG1 3.83Å; I37-V63 HydrophobicContact CG1-CG1 3.74Å; I37-N64 PolarHBondContact N-O 3.05Å; I37-F65 HydrophobicContact CB-CD1 4.05Å; I37-F65 HydrophobicContact CB-CE1 3.96Å; I37-F65 HydrophobicContact CD1-CE1 4.3Å; I37-F65 HydrophobicContact CD1-CZ 4.23Å; I37-F65 HydrophobicContact CG2-CD1 4.1Å; I37-F65 HydrophobicContact CG2-CE1 3.82Å; I37-T66 PolarHBondContact O-N 2.81Å
38I89.1Confident75.4Confident37 Ų3756.8 Ų56.819%0.1934%0.341CS..EExtended strand (participates in β ladder)trans-101.8125.7-179.3-57.6156.9000109.2T66 V68 L110 Y113I38-T66 WeakPolarHBondContact CA-O 3.26Å; I38-V68 HydrophobicContact CG2-CB 3.86Å; I38-V68 HydrophobicContact CG2-CG2 3.37Å; I38-L110 HydrophobicContact CD1-CD1 3.57Å; I38-Y113 HydrophobicContact CD1-CD1 3.16Å; I38-Y113 HydrophobicContact CD1-CE1 3.65Å; I38-Y113 HydrophobicContact CD1-CG 3.62Å; I38-Y113 HydrophobicContact CG1-CD1 3.78Å; I38-Y113 HydrophobicContact CG1-CE1 3.79Å; I38-Y113 HydrophobicContact CG1-CG 4.18Å
39M86.9Confident74.7Confident29 Ų2958.7 Ų58.714%0.14336%0.357CS..EExtended strand (participates in β ladder)trans-128.3157.8174.7-72.4-164.114300111.7I37 A43 L52 F53 I56 T66 T67 V68I37-M39 HydrophobicContact CG2-CG 4.26Å; M39-A43 HydrophobicContact CB-CB 4.36Å; M39-A43 HydrophobicContact SD-CB 4.36Å; M39-L52 HydrophobicContact CE-CD2 3.7Å; M39-L52 HydrophobicContact CE-CG 4.01Å; M39-F53 HydrophobicContact SD-CD2 4.1Å; M39-I56 HydrophobicContact CE-CD1 3.67Å; M39-T66 PolarHBondContact N-O 3.07Å; M39-T66 VanDerWaalsContact N-O 3.13Å; M39-T67 CarbonylContact O-C 3.57Å; M39-T67 WeakPolarHBondContact O-CA 3.32Å; M39-V68 PolarHBondContact O-N 3.36Å
40S84.5Confident74.3Confident19 Ų1960.7 Ų60.713%0.13337%0.37CS..EExtended strand (participates in β ladder)trans-64.5140.7171.3-176.70000110T42 A43 V68S40-T42 PolarHBondContact O-N 2.76Å; S40-T42 PolarHBondContact OG-OG1 2.84Å; S40-A43 VanDerWaalsContact O-CB 3.32Å; S40-A43 WeakPolarHBondContact O-CB 3.46Å; S40-A43 PolarHBondContact O-N 3.33Å; S40-V68 CarbonylContact C-O 3.56Å; S40-V68 WeakPolarHBondContact CA-O 3.45Å
41N80.9Confident74.2Confident67 Ų6766.9 Ų66.936%0.35840%0.396SS..G310 helixtrans-51.8-25.2173.562.2-23.9000114.4A43 C44 V68 R70N41-A43 VanDerWaalsContact C-N 3.26Å; N41-A43 PolarHBondContact O-N 3.34Å; N41-C44 PolarHBondContact O-N 3.03Å; N41-V68 PolarHBondContact N-O 3.01Å; N41-R70 PolarHBondContact OD1-N 3.29Å
42T75.6Confident74.3Confident74 Ų7467.5 Ų67.545%0.45440%0.398SS..G310 helixtrans-70-19174.756.40000114S40 C44S40-T42 PolarHBondContact O-N 2.76Å; S40-T42 PolarHBondContact OG-OG1 2.84Å; T42-C44 VanDerWaalsContact C-N 3.34Å
43A64.9Low74.3Confident14 Ų1467 Ų6712%0.11639%0.394CS..G310 helixtrans-79-19.7177.700000113M39 S40 N41 T50M39-A43 HydrophobicContact CB-CB 4.36Å; M39-A43 HydrophobicContact SD-CB 4.36Å; S40-A43 VanDerWaalsContact O-CB 3.32Å; S40-A43 WeakPolarHBondContact O-CB 3.46Å; S40-A43 PolarHBondContact O-N 3.33Å; N41-A43 VanDerWaalsContact C-N 3.26Å; N41-A43 PolarHBondContact O-N 3.34Å; A43-T50 HydrophobicContact CB-CG2 4.42Å; A43-T50 PolarHBondContact O-N 3.3Å
44C57.7Low74.3Confident38 Ų3866.4 Ų66.426%0.25739%0.388SS..G310 helixtrans-120.240.3-174.1-61.80000112N41 T42 V46 F53 T67N41-C44 PolarHBondContact O-N 3.03Å; T42-C44 VanDerWaalsContact C-N 3.34Å; C44-V46 PolarHBondContact O-N 3.44Å; C44-F53 WeakPolarHBondContact SG-CD2 3.48Å; C44-F53 WeakPolarHBondContact SG-CE2 3.28Å; C44-T67 HydrophobicContact CB-CG2 3.83Å
45V61.4Low73.8Confident81 Ų8167 Ų6749%0.49139%0.389SS..  trans-77.2125.6174.2-175.70000108.8G47 N48V45-G47 PolarHBondContact O-N 3.11Å; V45-N48 PolarHBondContact O-N 3.1Å
46V49.6Very low73.7Confident152 Ų15260.1 Ų60.192%0.92135%0.353SS*.THydrogen-bonded Turntrans-54.7113.4178.3-175.50000109.1C44C44-V46 PolarHBondContact O-N 3.44Å
47G53.5Low73.3Confident84 Ų8459.7 Ų59.787%0.86636%0.355SS*.THydrogen-bonded Turntrans106-13.1-179.600000116.3V45V45-G47 PolarHBondContact O-N 3.11Å
48N57.6Low72.7Confident133 Ų13365.2 Ų65.271%0.71138%0.38SS*.  trans-144.357.4177.8-151.39.1000111.1V45 T50V45-N48 PolarHBondContact O-N 3.1Å; N48-T50 PolarHBondContact O-N 3.01Å
49S64.3Low71.8Confident59 Ų5966.8 Ų66.841%0.41339%0.389SS..  trans-64133.1175470000110
50T75.9Confident71.4Confident56 Ų5666.6 Ų66.634%0.34439%0.388SS..  trans-63145.3175.559.80000110.3A43 N48 L52 F53 T54A43-T50 HydrophobicContact CB-CG2 4.42Å; A43-T50 PolarHBondContact O-N 3.3Å; N48-T50 PolarHBondContact O-N 3.01Å; T50-L52 PolarHBondContact O-N 2.99Å; T50-L52 VanDerWaalsContact O-N 3.11Å; T50-F53 WeakPolarHBondContact O-CB 3.34Å; T50-F53 PolarHBondContact O-N 3.47Å; T50-F53 WeakPolarHBondContact OG1-CB 3.42Å; T50-F53 PolarHBondContact OG1-N 2.95Å; T50-T54 PolarHBondContact O-N 2.89Å
51K73.7Confident70.8Confident163 Ų16372.8 Ų72.871%0.70941%0.412SS*.Hα-helixtrans-52.9-32.9174.3-68.6-177.3-180-1800112.5T54 L55K51-T54 WeakPolarHBondContact CA-OG1 3.26Å; K51-T54 PolarHBondContact O-OG1 2.95Å; K51-L55 WeakPolarHBondContact O-CB 3.37Å; K51-L55 WeakPolarHBondContact O-CD1 3.47Å; K51-L55 VanDerWaalsContact O-CG 3.23Å; K51-L55 WeakPolarHBondContact O-CG 3.46Å; K51-L55 PolarHBondContact O-N 3.12Å; K51-L55 VanDerWaalsContact O-N 3.07Å
52L79.1Confident70.4Confident35 Ų3577.3 Ų77.318%0.18344%0.436CS..Hα-helixtrans-65-45.9175.3-179.665.6000111.5Y22 V25 M39 T50 T54 L55 I56Y22-L52 HydrophobicContact CD1-CD1 3.73Å; Y22-L52 HydrophobicContact CD2-CB 4.3Å; Y22-L52 HydrophobicContact CD2-CD1 4.01Å; Y22-L52 HydrophobicContact CE1-CB 4.5Å; Y22-L52 HydrophobicContact CE1-CD1 4.23Å; Y22-L52 HydrophobicContact CE2-CB 4.05Å; Y22-L52 HydrophobicContact CE2-CD1 4.49Å; Y22-L52 HydrophobicContact CG-CD1 3.59Å; V25-L52 HydrophobicContact CG1-CD1 4.2Å; M39-L52 HydrophobicContact CE-CD2 3.7Å; M39-L52 HydrophobicContact CE-CG 4.01Å; T50-L52 PolarHBondContact O-N 2.99Å; T50-L52 VanDerWaalsContact O-N 3.11Å; L52-T54 PolarHBondContact O-N 2.8Å; L52-L55 PolarHBondContact O-N 2.86Å; L52-I56 HydrophobicContact CD1-CD1 3.81Å; L52-I56 HydrophobicContact CD1-CG1 4.11Å; L52-I56 HydrophobicContact CD2-CD1 4.49Å; L52-I56 HydrophobicContact CG-CD1 3.8Å; L52-I56 HydrophobicContact CG-CG1 4.42Å; L52-I56 VanDerWaalsContact O-CG1 3.25Å; L52-I56 WeakPolarHBondContact O-CG1 3.4Å; L52-I56 PolarHBondContact O-N 3.48Å
53F80.6Confident70.7Confident45 Ų4574.9 Ų74.920%0.19742%0.422CS..Hα-helixtrans-59.5-47.9178178.8-99.7000111.1M39 C44 T50 L55 I56 T57 F65M39-F53 HydrophobicContact SD-CD2 4.1Å; C44-F53 WeakPolarHBondContact SG-CD2 3.48Å; C44-F53 WeakPolarHBondContact SG-CE2 3.28Å; T50-F53 WeakPolarHBondContact O-CB 3.34Å; T50-F53 PolarHBondContact O-N 3.47Å; T50-F53 WeakPolarHBondContact OG1-CB 3.42Å; T50-F53 PolarHBondContact OG1-N 2.95Å; F53-L55 PolarHBondContact O-N 3.41Å; F53-I56 PolarHBondContact O-N 2.78Å; F53-T57 WeakPolarHBondContact O-CB 3.5Å; F53-T57 PolarHBondContact O-N 3.27Å; F53-T57 PolarHBondContact O-OG1 3.03Å; F53-F65 HydrophobicContact CD2-CD1 4.4Å; F53-F65 HydrophobicContact CD2-CE1 4.36Å; F53-F65 AromaticContact CE2-CD1 3.94Å; F53-F65 HydrophobicContact CE2-CD1 3.94Å; F53-F65 HydrophobicContact CE2-CE1 4.25Å; F53-F65 HydrophobicContact CE2-CG 4.26Å
54T77.8Confident71.5Confident50 Ų5079.4 Ų79.431%0.30744%0.444SS..Hα-helixtrans-60.7-45.3178.955.20000111.9T50 K51 L52 I56 T57 E58T50-T54 PolarHBondContact O-N 2.89Å; K51-T54 WeakPolarHBondContact CA-OG1 3.26Å; K51-T54 PolarHBondContact O-OG1 2.95Å; L52-T54 PolarHBondContact O-N 2.8Å; T54-I56 PolarHBondContact O-N 3.25Å; T54-T57 PolarHBondContact O-N 3.37Å; T54-E58 WeakPolarHBondContact O-CB 3.25Å; T54-E58 VanDerWaalsContact O-CG 3.29Å; T54-E58 WeakPolarHBondContact O-CG 3.44Å; T54-E58 PolarHBondContact O-N 2.98Å
55L75.3Confident72.7Confident43 Ų4380.5 Ų80.523%0.22544%0.444CS..Hα-helixtrans-62.4-41.1178.3-75.7168000112.7Y22 K51 L52 F53 N59Y22-L55 HydrophobicContact CD2-CD1 3.89Å; K51-L55 WeakPolarHBondContact O-CB 3.37Å; K51-L55 WeakPolarHBondContact O-CD1 3.47Å; K51-L55 VanDerWaalsContact O-CG 3.23Å; K51-L55 WeakPolarHBondContact O-CG 3.46Å; K51-L55 PolarHBondContact O-N 3.12Å; K51-L55 VanDerWaalsContact O-N 3.07Å; L52-L55 PolarHBondContact O-N 2.86Å; F53-L55 PolarHBondContact O-N 3.41Å; L55-N59 WeakPolarHBondContact O-CB 3.39Å; L55-N59 PolarHBondContact O-N 3.2Å; L55-N59 VanDerWaalsContact O-N 3.08Å; L55-N59 PolarHBondContact O-ND2 2.96Å
56I81.6Confident73.8Confident3 Ų378.6 Ų78.62%0.01543%0.433CS..Hα-helixtrans-71.2-40.6178.6-56.3167.6000109.9L29 I37 M39 L52 F53 T54 E58 N59 F60 F65L29-I56 HydrophobicContact CD1-CD1 3.95Å; L29-I56 HydrophobicContact CD1-CG1 4.03Å; L29-I56 HydrophobicContact CD1-CG2 3.91Å; I37-I56 HydrophobicContact CD1-CG2 3.63Å; M39-I56 HydrophobicContact CE-CD1 3.67Å; L52-I56 HydrophobicContact CD1-CD1 3.81Å; L52-I56 HydrophobicContact CD1-CG1 4.11Å; L52-I56 HydrophobicContact CD2-CD1 4.49Å; L52-I56 HydrophobicContact CG-CD1 3.8Å; L52-I56 HydrophobicContact CG-CG1 4.42Å; L52-I56 VanDerWaalsContact O-CG1 3.25Å; L52-I56 WeakPolarHBondContact O-CG1 3.4Å; L52-I56 PolarHBondContact O-N 3.48Å; F53-I56 PolarHBondContact O-N 2.78Å; T54-I56 PolarHBondContact O-N 3.25Å; I56-E58 VanDerWaalsContact C-N 3.3Å; I56-E58 PolarHBondContact O-N 3.11Å; I56-N59 PolarHBondContact O-N 2.86Å; I56-F60 HydrophobicContact CG2-CB 4.49Å; I56-F60 HydrophobicContact CG2-CD2 3.61Å; I56-F60 HydrophobicContact CG2-CE2 4.24Å; I56-F60 HydrophobicContact CG2-CG 4.39Å; I56-F60 WeakPolarHBondContact O-CB 3.36Å; I56-F60 WeakPolarHBondContact O-CD2 3.33Å; I56-F60 PolarHBondContact O-N 3.03Å; I56-F65 HydrophobicContact CB-CE1 4.37Å; I56-F65 HydrophobicContact CB-CZ 3.92Å; I56-F65 HydrophobicContact CG2-CE1 3.98Å; I56-F65 HydrophobicContact CG2-CZ 3.44Å; I56-F65 VanDerWaalsContact CG2-CZ 3.44Å
57T79.8Confident75.5Confident57 Ų5775 Ų7535%0.3541%0.412SS..Hα-helixtrans-63.4-35.5176.9-53.20000112.4F53 T54F53-T57 WeakPolarHBondContact O-CB 3.5Å; F53-T57 PolarHBondContact O-N 3.27Å; F53-T57 PolarHBondContact O-OG1 3.03Å; T54-T57 PolarHBondContact O-N 3.37Å
58E76Confident77Confident130 Ų13071.7 Ų71.761%0.60738%0.375SS*.Hα-helixtrans-67.1-45.3174.2-75.3170.7-173.400112.3T54 I56T54-E58 WeakPolarHBondContact O-CB 3.25Å; T54-E58 VanDerWaalsContact O-CG 3.29Å; T54-E58 WeakPolarHBondContact O-CG 3.44Å; T54-E58 PolarHBondContact O-N 2.98Å; I56-E58 VanDerWaalsContact C-N 3.3Å; I56-E58 PolarHBondContact O-N 3.11Å
59N71.3Confident78.3Confident71 Ų7170 Ų7038%0.3836%0.362SS..Hα-helixtrans-78.2-24.7-177.5-74.3-65.7000113.8L55 I56L55-N59 WeakPolarHBondContact O-CB 3.39Å; L55-N59 PolarHBondContact O-N 3.2Å; L55-N59 VanDerWaalsContact O-N 3.08Å; L55-N59 PolarHBondContact O-ND2 2.96Å; I56-N59 PolarHBondContact O-N 2.86Å
60F79.4Confident79.3Confident24 Ų2475.1 Ų75.111%0.10537%0.372CS..  trans-128.165.2-172.7-62.3-87000112.2I26 L29 Q30 I56 N62 V63I26-F60 HydrophobicContact CG2-CE2 4.44Å; L29-F60 HydrophobicContact CB-CE1 4.27Å; L29-F60 HydrophobicContact CB-CE2 3.83Å; L29-F60 HydrophobicContact CB-CZ 3.47Å; L29-F60 VanDerWaalsContact CB-CZ 3.47Å; L29-F60 HydrophobicContact CD1-CE2 4.1Å; Q30-F60 HydrophobicContact CG-CE1 3.94Å; Q30-F60 HydrophobicContact CG-CZ 3.6Å; I56-F60 HydrophobicContact CG2-CB 4.49Å; I56-F60 HydrophobicContact CG2-CD2 3.61Å; I56-F60 HydrophobicContact CG2-CE2 4.24Å; I56-F60 HydrophobicContact CG2-CG 4.39Å; I56-F60 WeakPolarHBondContact O-CB 3.36Å; I56-F60 WeakPolarHBondContact O-CD2 3.33Å; I56-F60 PolarHBondContact O-N 3.03Å; F60-N62 PolarHBondContact O-N 3.43Å; F60-N62 VanDerWaalsContact O-N 3.15Å; F60-V63 HydrophobicContact CB-CB 4.12Å; F60-V63 HydrophobicContact CB-CG2 3.82Å; F60-V63 HydrophobicContact CD1-CG2 4.11Å; F60-V63 HydrophobicContact CG-CG2 4.37Å; F60-V63 PolarHBondContact O-N 3.37Å
61K70.5Confident79.9Confident150 Ų15078.4 Ų78.465%0.65238%0.382SS*.THydrogen-bonded Turntrans-58.8-26.1-178.8-64.8-178.7-179.3175.70114.6E558K61-E558 IonicContact NZ-OE2 3.5Å
62N73.3Confident80.5Confident161 Ų16174.8 Ų74.886%0.86137%0.365SS*.THydrogen-bonded Turntrans-99.53.4-174.1-66.6-16.3000114.3F60F60-N62 PolarHBondContact O-N 3.43Å; F60-N62 VanDerWaalsContact O-N 3.15Å
63V81.1Confident81Confident24 Ų2475.2 Ų75.215%0.14537%0.365CS..SBendtrans-98.3131.8-176.2179.90000110P34 I37 F60 F65P34-V63 HydrophobicContact CG-CG1 4.43Å; P34-V63 WeakPolarHBondContact O-CG2 3.48Å; I37-V63 HydrophobicContact CB-CG1 4.41Å; I37-V63 HydrophobicContact CD1-CG1 3.83Å; I37-V63 HydrophobicContact CG1-CG1 3.74Å; F60-V63 HydrophobicContact CB-CB 4.12Å; F60-V63 HydrophobicContact CB-CG2 3.82Å; F60-V63 HydrophobicContact CD1-CG2 4.11Å; F60-V63 HydrophobicContact CG-CG2 4.37Å; F60-V63 PolarHBondContact O-N 3.37Å; V63-F65 WeakPolarHBondContact O-CD2 3.25Å
64N82.1Confident81.4Confident109 Ų10975.7 Ų75.758%0.58337%0.37SS*.EExtended strand (participates in β ladder)trans-70.4132.5177.3-73.3-14.4000110.2L35 E36 I37L35-N64 PolarHBondContact O-N 3.34Å; E36-N64 CarbonylContact C-O 3.57Å; E36-N64 VanDerWaalsContact CA-O 3.31Å; E36-N64 WeakPolarHBondContact CA-O 3.49Å; E36-N64 HydrophobicContact CB-CB 4.47Å; E36-N64 HydrophobicContact CG-CB 4.26Å; I37-N64 PolarHBondContact N-O 3.05Å
65F82.6Confident81.9Confident60 Ų6077 Ų7726%0.26337%0.372SS..EExtended strand (participates in β ladder)trans-106.5120.6174.6-81.9-88.3000110.5I37 F53 I56 V63I37-F65 HydrophobicContact CB-CD1 4.05Å; I37-F65 HydrophobicContact CB-CE1 3.96Å; I37-F65 HydrophobicContact CD1-CE1 4.3Å; I37-F65 HydrophobicContact CD1-CZ 4.23Å; I37-F65 HydrophobicContact CG2-CD1 4.1Å; I37-F65 HydrophobicContact CG2-CE1 3.82Å; F53-F65 HydrophobicContact CD2-CD1 4.4Å; F53-F65 HydrophobicContact CD2-CE1 4.36Å; F53-F65 AromaticContact CE2-CD1 3.94Å; F53-F65 HydrophobicContact CE2-CD1 3.94Å; F53-F65 HydrophobicContact CE2-CE1 4.25Å; F53-F65 HydrophobicContact CE2-CG 4.26Å; I56-F65 HydrophobicContact CB-CE1 4.37Å; I56-F65 HydrophobicContact CB-CZ 3.92Å; I56-F65 HydrophobicContact CG2-CE1 3.98Å; I56-F65 HydrophobicContact CG2-CZ 3.44Å; I56-F65 VanDerWaalsContact CG2-CZ 3.44Å; V63-F65 WeakPolarHBondContact O-CD2 3.25Å
66T84.9Confident82.4Confident41 Ų4178.4 Ų78.425%0.25238%0.383SS..EExtended strand (participates in β ladder)trans-117.8132.1175.4-650000111.5E36 I37 I38 M39 Y113E36-T66 WeakPolarHBondContact OE1-CB 3.39Å; E36-T66 PolarHBondContact OE1-OG1 2.94Å; I37-T66 PolarHBondContact O-N 2.81Å; I38-T66 WeakPolarHBondContact CA-O 3.26Å; M39-T66 PolarHBondContact N-O 3.07Å; M39-T66 VanDerWaalsContact N-O 3.13Å; T66-Y113 WeakPolarHBondContact CB-OH 3.18Å; T66-Y113 HydrophobicContact CG2-CE2 3.48Å; T66-Y113 VanDerWaalsContact CG2-CE2 3.48Å; T66-Y113 WeakPolarHBondContact CG2-OH 3.45Å; T66-Y113 PolarHBondContact OG1-OH 2.86Å; T66-Y113 VanDerWaalsContact OG1-OH 3.1Å
67T84.7Confident82.7Confident78 Ų7883 Ų8348%0.47940%0.403SS..EExtended strand (participates in β ladder)trans-91.4132.2177.161.60000110.7M39 C44M39-T67 CarbonylContact O-C 3.57Å; M39-T67 WeakPolarHBondContact O-CA 3.32Å; C44-T67 HydrophobicContact CB-CG2 3.83Å
68V85.3Confident83Confident14 Ų1480.3 Ų80.39%0.08539%0.386CS..EExtended strand (participates in β ladder)trans-115.7141176.4171.80000109.4I38 M39 S40 N41 R70 Y72 F73 A109 Y113I38-V68 HydrophobicContact CG2-CB 3.86Å; I38-V68 HydrophobicContact CG2-CG2 3.37Å; M39-V68 PolarHBondContact O-N 3.36Å; S40-V68 CarbonylContact C-O 3.56Å; S40-V68 WeakPolarHBondContact CA-O 3.45Å; N41-V68 PolarHBondContact N-O 3.01Å; V68-R70 PolarHBondContact O-N 3.3Å; V68-Y72 HydrophobicContact CG1-CD2 3.76Å; V68-Y72 HydrophobicContact CG1-CG 4.25Å; V68-F73 HydrophobicContact CB-CE2 4.06Å; V68-F73 HydrophobicContact CG1-CE2 4.07Å; V68-A109 HydrophobicContact CG1-CB 4.45Å; V68-Y113 HydrophobicContact CG2-CD2 3.62Å; V68-Y113 HydrophobicContact CG2-CE2 4.13Å; V68-Y113 HydrophobicContact CG2-CG 4.34Å
69Q85.9Confident83.5Confident98 Ų9876 Ų7646%0.45837%0.367SS..  trans-60.9134.7-180-65.9-177.3-5.900110.9K71 Y72Q69-K71 HydrophobicContact CB-CD 4.45Å; Q69-K71 HydrophobicContact CB-CG 4.07Å; Q69-K71 PolarHBondContact O-N 3.16Å; Q69-Y72 HydrophobicContact CB-CD2 3.96Å; Q69-Y72 HydrophobicContact CB-CE2 4.13Å; Q69-Y72 PolarHBondContact O-N 3.43Å
70R85.1Confident84.2Confident165 Ų16577.3 Ų77.362%0.62337%0.371SS*.G310 helixtrans-50.7-29.2179.5-170.7173.5177.21800.2114.3N41 V68 Y72 F73N41-R70 PolarHBondContact OD1-N 3.29Å; V68-R70 PolarHBondContact O-N 3.3Å; R70-Y72 PolarHBondContact O-N 3.06Å; R70-Y72 VanDerWaalsContact O-N 3.1Å; R70-F73 WeakPolarHBondContact O-CB 3.44Å; R70-F73 PolarHBondContact O-N 3.01Å
71K87Confident84.5Confident126 Ų12679 Ų7955%0.54838%0.377SS..G310 helixtrans-57.6-24177.476.4-174.3-169.9-165.20114.4Q69Q69-K71 HydrophobicContact CB-CD 4.45Å; Q69-K71 HydrophobicContact CB-CG 4.07Å; Q69-K71 PolarHBondContact O-N 3.16Å
72Y87.4Confident85.2Confident86 Ų8672 Ų7234%0.33735%0.347SS..G310 helixtrans-86.7-13.3178.6-62.8-64.2000113.1V68 Q69 R70 N74 A108 A109 K112V68-Y72 HydrophobicContact CG1-CD2 3.76Å; V68-Y72 HydrophobicContact CG1-CG 4.25Å; Q69-Y72 HydrophobicContact CB-CD2 3.96Å; Q69-Y72 HydrophobicContact CB-CE2 4.13Å; Q69-Y72 PolarHBondContact O-N 3.43Å; R70-Y72 PolarHBondContact O-N 3.06Å; R70-Y72 VanDerWaalsContact O-N 3.1Å; Y72-N74 VanDerWaalsContact C-N 3.34Å; Y72-N74 PolarHBondContact O-N 2.7Å; Y72-N74 VanDerWaalsContact O-N 3.15Å; Y72-A108 WeakPolarHBondContact O-CB 3.4Å; Y72-A109 PolarHBondContact O-N 3.47Å; Y72-K112 HydrophobicContact CD1-CG 3.93Å; Y72-K112 HydrophobicContact CE1-CG 4.1Å
73F89.1Confident85.8Confident44 Ų4469.6 Ų69.619%0.19333%0.33CS..  trans-86.375.4172.6-71.4-96.8000109.7V68 R70 A105 A109V68-F73 HydrophobicContact CB-CE2 4.06Å; V68-F73 HydrophobicContact CG1-CE2 4.07Å; R70-F73 WeakPolarHBondContact O-CB 3.44Å; R70-F73 PolarHBondContact O-N 3.01Å; F73-A105 WeakPolarHBondContact CA-O 3.47Å; F73-A105 HydrophobicContact CB-CB 4.22Å; F73-A105 WeakPolarHBondContact CD1-O 3.27Å; F73-A109 HydrophobicContact CD1-CB 3.73Å; F73-A109 HydrophobicContact CD2-CB 3.74Å; F73-A109 HydrophobicContact CE1-CB 3.63Å; F73-A109 HydrophobicContact CE2-CB 3.64Å; F73-A109 HydrophobicContact CG-CB 3.79Å; F73-A109 HydrophobicContact CZ-CB 3.58Å
74N89.6Confident86Confident55 Ų5574 Ų7429%0.29435%0.349SS..  trans-123.7128.2-176.2-174.5-34.1000110.5Y72 T76 K77 G78 A108Y72-N74 VanDerWaalsContact C-N 3.34Å; Y72-N74 PolarHBondContact O-N 2.7Å; Y72-N74 VanDerWaalsContact O-N 3.15Å; N74-T76 PolarHBondContact OD1-N 3.32Å; N74-T76 PolarHBondContact OD1-OG1 3.27Å; N74-K77 HydrophobicContact CB-CB 4.39Å; N74-G78 PolarHBondContact O-N 3.4Å; N74-G78 VanDerWaalsContact O-N 3.08Å; N74-A108 VanDerWaalsContact O-CB 3.25Å; N74-A108 WeakPolarHBondContact O-CB 3.14Å
75E87.3Confident86.2Confident77 Ų7769.6 Ų69.636%0.3633%0.326SS..Hα-helixtrans-66.5-39.1-179.470.6-176.515400113.7G78 L79 Y101 L104E75-G78 PolarHBondContact O-N 3.36Å; E75-L79 PolarHBondContact O-N 3.47Å; E75-Y101 HydrophobicContact CB-CD2 4.05Å; E75-Y101 HydrophobicContact CB-CE2 4.22Å; E75-Y101 VanDerWaalsContact CD-CD2 3.4Å; E75-Y101 HydrophobicContact CG-CD2 4.14Å; E75-Y101 HydrophobicContact CG-CE2 4.19Å; E75-Y101 WeakPolarHBondContact OE2-CD2 3.38Å; E75-L104 HydrophobicContact CB-CB 4.1Å; E75-L104 HydrophobicContact CB-CD1 4.4Å
76T87Confident86.1Confident74 Ų7467.2 Ų67.245%0.45432%0.316SS..Hα-helixtrans-68.4-44.6-174.666.70000110.1N74 G78 L79 E80N74-T76 PolarHBondContact OD1-N 3.32Å; N74-T76 PolarHBondContact OD1-OG1 3.27Å; T76-G78 VanDerWaalsContact C-N 3.31Å; T76-G78 PolarHBondContact O-N 3.48Å; T76-L79 PolarHBondContact O-N 3Å; T76-E80 WeakPolarHBondContact O-CG 3.49Å; T76-E80 PolarHBondContact O-N 3.43Å
77K87.8Confident85.9Confident99 Ų9965.7 Ų65.743%0.4331%0.306SS..Hα-helixtrans-64.3-36.9173-68.5-170.3174.6-174.90112.2N74 L79 E80 Y81 A108N74-K77 HydrophobicContact CB-CB 4.39Å; K77-L79 VanDerWaalsContact C-N 3.33Å; K77-E80 PolarHBondContact O-N 3.13Å; K77-Y81 HydrophobicContact CB-CE2 4.41Å; K77-Y81 WeakPolarHBondContact O-CB 3.39Å; K77-Y81 WeakPolarHBondContact O-CD2 3.45Å; K77-Y81 PolarHBondContact O-N 3.25Å; K77-A108 HydrophobicContact CB-CB 4.49Å
78G85.5Confident85.3Confident0 Ų065.5 Ų65.50%031%0.313CS..Hα-helixtrans-60.1-45.5175.100000111.6N74 E75 T76 Y81 I82N74-G78 PolarHBondContact O-N 3.4Å; N74-G78 VanDerWaalsContact O-N 3.08Å; E75-G78 PolarHBondContact O-N 3.36Å; T76-G78 VanDerWaalsContact C-N 3.31Å; T76-G78 PolarHBondContact O-N 3.48Å; G78-Y81 PolarHBondContact O-N 3.25Å; G78-I82 WeakPolarHBondContact O-CD1 3.32Å; G78-I82 VanDerWaalsContact O-CG1 3.23Å; G78-I82 WeakPolarHBondContact O-CG1 3.35Å; G78-I82 PolarHBondContact O-N 3.19Å
79L85.6Confident84.4Confident40 Ų4069 Ų6921%0.20933%0.329CS..Hα-helixtrans-65.5-46.9177.4-169.8126.4000111.7E75 T76 K77 Y81 I82 E83 Q98 L104E75-L79 PolarHBondContact O-N 3.47Å; T76-L79 PolarHBondContact O-N 3Å; K77-L79 VanDerWaalsContact C-N 3.33Å; L79-Y81 VanDerWaalsContact C-N 3.32Å; L79-Y81 PolarHBondContact O-N 2.91Å; L79-I82 PolarHBondContact O-N 3.19Å; L79-I82 VanDerWaalsContact O-N 3.14Å; L79-E83 HydrophobicContact CD2-CG 4.42Å; L79-E83 WeakPolarHBondContact CD2-OE1 3.13Å; L79-E83 WeakPolarHBondContact O-CG 3.26Å; L79-E83 PolarHBondContact O-N 3.31Å; L79-Q98 HydrophobicContact CD1-CB 4.45Å; L79-Q98 HydrophobicContact CD1-CG 4.17Å; L79-L104 HydrophobicContact CB-CD2 4.33Å; L79-L104 HydrophobicContact CD1-CD1 4.29Å
80E87.5Confident83.4Confident98 Ų9866.7 Ų66.746%0.45832%0.317SS..Hα-helixtrans-55.7-44.3174.6-73.5169.2-166.300112.2T76 K77 E83 Q84T76-E80 WeakPolarHBondContact O-CG 3.49Å; T76-E80 PolarHBondContact O-N 3.43Å; K77-E80 PolarHBondContact O-N 3.13Å; E80-E83 PolarHBondContact O-N 3.28Å; E80-Q84 WeakPolarHBondContact O-CB 3.25Å; E80-Q84 VanDerWaalsContact O-CG 3.29Å; E80-Q84 WeakPolarHBondContact O-CG 3.28Å; E80-Q84 PolarHBondContact O-N 3.37Å
81Y86.1Confident82.6Confident60 Ų6061.7 Ų61.724%0.23531%0.307CS..Hα-helixtrans-65.4-39.5177.6-75.5-45.5000112.5K77 G78 L79 Q84 L85 L111K77-Y81 HydrophobicContact CB-CE2 4.41Å; K77-Y81 WeakPolarHBondContact O-CB 3.39Å; K77-Y81 WeakPolarHBondContact O-CD2 3.45Å; K77-Y81 PolarHBondContact O-N 3.25Å; G78-Y81 PolarHBondContact O-N 3.25Å; L79-Y81 VanDerWaalsContact C-N 3.32Å; L79-Y81 PolarHBondContact O-N 2.91Å; Y81-Q84 PolarHBondContact O-N 2.94Å; Y81-L85 VanDerWaalsContact O-CB 3.25Å; Y81-L85 WeakPolarHBondContact O-CB 3.34Å; Y81-L85 VanDerWaalsContact O-CG 3.27Å; Y81-L85 WeakPolarHBondContact O-CG 3.45Å; Y81-L85 PolarHBondContact O-N 3.1Å; Y81-L111 HydrophobicContact CD2-CD1 4.36Å; Y81-L111 HydrophobicContact CG-CD1 4.14Å
82I85.3Confident81.7Confident3 Ų359.4 Ų59.42%0.01531%0.307CS..Hα-helixtrans-66.6-43.6177.1-65164.2000109.7L13 G78 L79 Q84 L85 C86 L94 L104 I129L13-I82 HydrophobicContact CD1-CD1 3.74Å; G78-I82 WeakPolarHBondContact O-CD1 3.32Å; G78-I82 VanDerWaalsContact O-CG1 3.23Å; G78-I82 WeakPolarHBondContact O-CG1 3.35Å; G78-I82 PolarHBondContact O-N 3.19Å; L79-I82 PolarHBondContact O-N 3.19Å; L79-I82 VanDerWaalsContact O-N 3.14Å; I82-Q84 VanDerWaalsContact C-N 3.31Å; I82-Q84 PolarHBondContact O-N 2.87Å; I82-L85 PolarHBondContact O-N 2.99Å; I82-C86 HydrophobicContact CG2-CB 4.21Å; I82-C86 WeakPolarHBondContact O-CA 3.46Å; I82-C86 WeakPolarHBondContact O-CB 3.24Å; I82-C86 PolarHBondContact O-N 3.17Å; I82-L94 HydrophobicContact CB-CD2 4.15Å; I82-L94 HydrophobicContact CG2-CD2 3.52Å; I82-L94 HydrophobicContact CG2-CG 4.33Å; I82-L104 HydrophobicContact CD1-CD2 3.46Å; I82-L104 VanDerWaalsContact CD1-CD2 3.46Å; I82-I129 HydrophobicContact CB-CD1 4.24Å; I82-I129 HydrophobicContact CG1-CD1 4.1Å; I82-I129 HydrophobicContact CG1-CG2 4.48Å; I82-I129 HydrophobicContact CG2-CD1 4Å; I82-I129 HydrophobicContact CG2-CG2 4.21Å
83E85Confident80.9Confident110 Ų11055.8 Ų55.851%0.51429%0.294SS..Hα-helixtrans-60.1-38.9177.1-73.7-179168.400112.9L79 E80 L94L79-E83 HydrophobicContact CD2-CG 4.42Å; L79-E83 WeakPolarHBondContact CD2-OE1 3.13Å; L79-E83 WeakPolarHBondContact O-CG 3.26Å; L79-E83 PolarHBondContact O-N 3.31Å; E80-E83 PolarHBondContact O-N 3.28Å; E83-L94 HydrophobicContact CG-CD1 4.09Å; E83-L94 HydrophobicContact CG-CD2 3.68Å
84Q86.3Confident80.1Confident117 Ų11755.7 Ų55.755%0.54730%0.295SS..Hα-helixtrans-76.7-38-179.5-71.4175.93.600113.3E80 Y81 I82 P124 K125E80-Q84 WeakPolarHBondContact O-CB 3.25Å; E80-Q84 VanDerWaalsContact O-CG 3.29Å; E80-Q84 WeakPolarHBondContact O-CG 3.28Å; E80-Q84 PolarHBondContact O-N 3.37Å; Y81-Q84 PolarHBondContact O-N 2.94Å; I82-Q84 VanDerWaalsContact C-N 3.31Å; I82-Q84 PolarHBondContact O-N 2.87Å; Q84-P124 WeakPolarHBondContact O-CA 3.34Å; Q84-K125 PolarHBondContact O-N 2.92Å
85L84.9Confident79.1Confident17 Ų1760.9 Ų60.99%0.08932%0.32CS..Hα-helixtrans-98-24.4-170.3-61.3174.3000113.7Y81 I82 L111 Y122 K125 S126 L127 I129Y81-L85 VanDerWaalsContact O-CB 3.25Å; Y81-L85 WeakPolarHBondContact O-CB 3.34Å; Y81-L85 VanDerWaalsContact O-CG 3.27Å; Y81-L85 WeakPolarHBondContact O-CG 3.45Å; Y81-L85 PolarHBondContact O-N 3.1Å; I82-L85 PolarHBondContact O-N 2.99Å; L85-L111 HydrophobicContact CD1-CD1 4.02Å; L85-L111 HydrophobicContact CD1-CD2 4.25Å; L85-Y122 WeakPolarHBondContact CD2-O 3.5Å; L85-K125 CarbonylContact O-C 3.5Å; L85-K125 WeakPolarHBondContact O-CA 3.34Å; L85-S126 PolarHBondContact O-N 3.16Å; L85-L127 HydrophobicContact CB-CB 4.46Å; L85-L127 HydrophobicContact CB-CD1 3.99Å; L85-L127 HydrophobicContact CB-CG 4.41Å; L85-L127 HydrophobicContact CD1-CD1 3.99Å; L85-L127 HydrophobicContact CG-CD1 4.49Å; L85-L127 PolarHBondContact O-N 3.48Å; L85-I129 HydrophobicContact CB-CD1 4.47Å
86C81.6Confident78.2Confident9 Ų961.6 Ų61.66%0.06132%0.323CS..BIsolated β-bridgetrans-69.2137.5-175.7-167.80000112.1I82 K125 I129I82-C86 HydrophobicContact CG2-CB 4.21Å; I82-C86 WeakPolarHBondContact O-CA 3.46Å; I82-C86 WeakPolarHBondContact O-CB 3.24Å; I82-C86 PolarHBondContact O-N 3.17Å; C86-K125 WeakPolarHBondContact O-CA 3.32Å; C86-I129 HydrophobicContact CB-CB 4.44Å; C86-I129 HydrophobicContact CB-CD1 4.01Å; C86-I129 HydrophobicContact CB-CG1 4.29Å
87I79.8Confident77.6Confident9 Ų958.2 Ų58.25%0.04630%0.302CS..  trans-65.9141171.8-62.1159.4000110.1E89 F90 S91 K125 L127 K128 H436 Y439I87-E89 VanDerWaalsContact C-N 3.3Å; I87-E89 PolarHBondContact O-N 3.34Å; I87-F90 HydrophobicContact CB-CD2 4.48Å; I87-F90 PolarHBondContact O-N 3.08Å; I87-S91 PolarHBondContact O-N 3.46Å; I87-K125 WeakPolarHBondContact CG1-O 3.47Å; I87-L127 WeakPolarHBondContact CG1-O 3.49Å; I87-L127 PolarHBondContact N-O 3.3Å; I87-L127 VanDerWaalsContact N-O 3.14Å; I87-K128 HydrophobicContact CD1-CB 4.34Å; I87-H436 HydrophobicContact CG2-CB 3.91Å; I87-Y439 HydrophobicContact CD1-CD2 3.76Å; I87-Y439 HydrophobicContact CD1-CE2 3.4Å; I87-Y439 VanDerWaalsContact CD1-CE2 3.4Å
88A71.3Confident76.9Confident75 Ų7560 Ų6062%0.6231%0.312SS*.G310 helixtrans-55.9-36.1-175.700000114.6F90 S91A88-F90 VanDerWaalsContact C-N 3.28Å; A88-F90 PolarHBondContact O-N 3.25Å; A88-S91 VanDerWaalsContact O-CB 3.24Å; A88-S91 WeakPolarHBondContact O-CB 3.37Å; A88-S91 PolarHBondContact O-N 3.27Å; A88-S91 PolarHBondContact O-OG 2.97Å
89E67.3Low76.2Confident88 Ų8864.8 Ų64.841%0.41135%0.346SS..G310 helixtrans-68.2-22.5178.3-71.8-173.4-131.700113.2I87 R285 H436 K440I87-E89 VanDerWaalsContact C-N 3.3Å; I87-E89 PolarHBondContact O-N 3.34Å; E89-R285 IonicContact OE1-CZ 2.72Å; E89-R285 IonicContact OE1-NH1 2.71Å; E89-R285 PolarHBondContact OE1-NH1 3.22Å; E89-R285 IonicContact OE1-NH2 3.21Å; E89-R285 PolarHBondContact OE1-NH2 3.39Å; E89-H436 IonicContact OE1-CE1 3.1Å; E89-H436 IonicContact OE1-CG 3.16Å; E89-H436 IonicContact OE1-ND1 2.82Å; E89-H436 PolarHBondContact OE1-ND1 3.43Å; E89-H436 IonicContact OE2-CE1 2.72Å; E89-H436 PolarHBondContact OE2-CE1 3.04Å; E89-H436 IonicContact OE2-CG 3.51Å; E89-H436 IonicContact OE2-ND1 3.07Å; E89-H436 PolarHBondContact OE2-ND1 2.67Å; E89-H436 IonicContact OE2-NE2 3.56Å; E89-K440 IonicContact OE2-NZ 2.68Å; E89-K440 PolarHBondContact OE2-NZ 3.47Å
90F64.8Low75.8Confident49 Ų4967.3 Ų67.322%0.21535%0.352CS..G310 helixtrans-101.512.6175.2-69.4-78.4000113I87 A88 S92 V93 K128 H436I87-F90 HydrophobicContact CB-CD2 4.48Å; I87-F90 PolarHBondContact O-N 3.08Å; A88-F90 VanDerWaalsContact C-N 3.28Å; A88-F90 PolarHBondContact O-N 3.25Å; F90-S92 PolarHBondContact O-N 2.84Å; F90-S92 VanDerWaalsContact O-N 3.12Å; F90-V93 WeakPolarHBondContact O-CB 3.37Å; F90-V93 VanDerWaalsContact O-CG2 3.29Å; F90-V93 WeakPolarHBondContact O-CG2 3.24Å; F90-V93 PolarHBondContact O-N 3.01Å; F90-V93 VanDerWaalsContact O-N 3.1Å; F90-K128 HydrophobicContact CD2-CG 4.13Å; F90-K128 HydrophobicContact CE2-CD 4.12Å; F90-K128 HydrophobicContact CE2-CG 3.77Å; F90-K128 HydrophobicContact CZ-CD 4.1Å; F90-K128 HydrophobicContact CZ-CG 4.02Å; F90-H436 AromaticContact CD2-NE2 3.82Å; F90-H436 AromaticContact CE2-CD2 3.6Å; F90-H436 AromaticContact CE2-NE2 3.12Å; F90-H436 WeakPolarHBondContact CE2-NE2 3.41Å; F90-H436 AromaticContact CZ-NE2 3.82Å
91S68.3Low75.6Confident60 Ų6067.5 Ų67.542%0.4235%0.35SS..THydrogen-bonded Turntrans-61.5-20.3179.358.40000113.7I87 A88 V93 L94I87-S91 PolarHBondContact O-N 3.46Å; A88-S91 VanDerWaalsContact O-CB 3.24Å; A88-S91 WeakPolarHBondContact O-CB 3.37Å; A88-S91 PolarHBondContact O-N 3.27Å; A88-S91 PolarHBondContact O-OG 2.97Å; S91-V93 PolarHBondContact O-N 2.96Å; S91-V93 VanDerWaalsContact O-N 3.15Å; S91-L94 VanDerWaalsContact O-CB 3.23Å; S91-L94 WeakPolarHBondContact O-CB 3.3Å; S91-L94 PolarHBondContact O-N 3.4Å
92S67.9Low75.5Confident78 Ų7872.6 Ų72.655%0.54537%0.37SS..Hα-helixtrans-56.9-27.8173.456.40000113.1F90 L94 M95 E96F90-S92 PolarHBondContact O-N 2.84Å; F90-S92 VanDerWaalsContact O-N 3.12Å; S92-L94 PolarHBondContact O-N 2.9Å; S92-M95 WeakPolarHBondContact O-CB 3.34Å; S92-M95 PolarHBondContact O-N 3.22Å; S92-E96 PolarHBondContact O-N 3.23Å
93V71.2Confident75.6Confident9 Ų972.5 Ų72.56%0.05537%0.369CS..Hα-helixtrans-61.5-28.9176.5177.30000111.3F90 S91 M95 E96 V97 F131F90-V93 WeakPolarHBondContact O-CB 3.37Å; F90-V93 VanDerWaalsContact O-CG2 3.29Å; F90-V93 WeakPolarHBondContact O-CG2 3.24Å; F90-V93 PolarHBondContact O-N 3.01Å; F90-V93 VanDerWaalsContact O-N 3.1Å; S91-V93 PolarHBondContact O-N 2.96Å; S91-V93 VanDerWaalsContact O-N 3.15Å; V93-M95 VanDerWaalsContact C-N 3.3Å; V93-M95 PolarHBondContact O-N 2.87Å; V93-E96 PolarHBondContact O-N 3.15Å; V93-V97 HydrophobicContact CG1-CG2 3.71Å; V93-V97 VanDerWaalsContact O-CB 3.3Å; V93-V97 WeakPolarHBondContact O-CB 3.29Å; V93-V97 VanDerWaalsContact O-CG2 3.25Å; V93-V97 WeakPolarHBondContact O-CG2 3.35Å; V93-V97 PolarHBondContact O-N 3.05Å; V93-F131 HydrophobicContact CG1-CB 4.11Å
94L71.3Confident75.6Confident43 Ų4367.4 Ų67.423%0.22535%0.345CS..Hα-helixtrans-59.7-42.3174.7-69.4165.9000111.1I82 E83 S91 S92 E96 V97 Q98I82-L94 HydrophobicContact CB-CD2 4.15Å; I82-L94 HydrophobicContact CG2-CD2 3.52Å; I82-L94 HydrophobicContact CG2-CG 4.33Å; E83-L94 HydrophobicContact CG-CD1 4.09Å; E83-L94 HydrophobicContact CG-CD2 3.68Å; S91-L94 VanDerWaalsContact O-CB 3.23Å; S91-L94 WeakPolarHBondContact O-CB 3.3Å; S91-L94 PolarHBondContact O-N 3.4Å; S92-L94 PolarHBondContact O-N 2.9Å; L94-E96 VanDerWaalsContact C-N 3.31Å; L94-E96 PolarHBondContact O-N 3.48Å; L94-V97 PolarHBondContact O-N 2.9Å; L94-Q98 VanDerWaalsContact O-CB 3.3Å; L94-Q98 WeakPolarHBondContact O-CB 3.35Å; L94-Q98 PolarHBondContact O-N 3.49Å
95M68.8Low75.7Confident163 Ų16362 Ų6280%0.80332%0.321SS*.Hα-helixtrans-65-36.3178.4-66.5-169.6162.100112.2S92 V93S92-M95 WeakPolarHBondContact O-CB 3.34Å; S92-M95 PolarHBondContact O-N 3.22Å; V93-M95 VanDerWaalsContact C-N 3.3Å; V93-M95 PolarHBondContact O-N 2.87Å
96E68.7Low76Confident93 Ų9362.1 Ų62.144%0.43532%0.324SS..Hα-helixtrans-76.4-34.6-178.5-172.6170.6-165.500112.8S92 V93 L94 R100 F131S92-E96 PolarHBondContact O-N 3.23Å; V93-E96 PolarHBondContact O-N 3.15Å; L94-E96 VanDerWaalsContact C-N 3.31Å; L94-E96 PolarHBondContact O-N 3.48Å; E96-R100 WeakPolarHBondContact O-CG 3.4Å; E96-F131 HydrophobicContact CG-CD1 3.94Å; E96-F131 HydrophobicContact CG-CE1 4.44Å; E96-F131 HydrophobicContact CG-CG 4.3Å; E96-F131 WeakPolarHBondContact OE1-CD1 3.33Å
97V75.2Confident76.4Confident2 Ų261.8 Ų61.81%0.01232%0.322CS..Hα-helixtrans-92.7-17.9-172.7177.90000112.3L13 V93 L94 S99 R100 L104 F131L13-V97 HydrophobicContact CD1-CG1 4.11Å; L13-V97 HydrophobicContact CD1-CG2 4.12Å; V93-V97 HydrophobicContact CG1-CG2 3.71Å; V93-V97 VanDerWaalsContact O-CB 3.3Å; V93-V97 WeakPolarHBondContact O-CB 3.29Å; V93-V97 VanDerWaalsContact O-CG2 3.25Å; V93-V97 WeakPolarHBondContact O-CG2 3.35Å; V93-V97 PolarHBondContact O-N 3.05Å; L94-V97 PolarHBondContact O-N 2.9Å; V97-S99 PolarHBondContact O-N 2.89Å; V97-S99 VanDerWaalsContact O-N 3.09Å; V97-R100 WeakPolarHBondContact O-CA 3.44Å; V97-R100 WeakPolarHBondContact O-CB 3.16Å; V97-R100 PolarHBondContact O-N 3.2Å; V97-L104 HydrophobicContact CG1-CD1 4.27Å; V97-L104 HydrophobicContact CG1-CD2 3.37Å; V97-L104 HydrophobicContact CG1-CG 3.55Å; V97-L104 WeakPolarHBondContact O-CD1 3.23Å; V97-F131 HydrophobicContact CG2-CB 3.81Å; V97-F131 HydrophobicContact CG2-CD2 3.77Å; V97-F131 HydrophobicContact CG2-CG 4.05Å
98Q73.1Confident77Confident136 Ų13661.5 Ų61.564%0.63632%0.321SS*.THydrogen-bonded Turntrans-54.5-33.9-177.3-169.3171.615.200113.7L79 L94L79-Q98 HydrophobicContact CD1-CB 4.45Å; L79-Q98 HydrophobicContact CD1-CG 4.17Å; L94-Q98 VanDerWaalsContact O-CB 3.3Å; L94-Q98 WeakPolarHBondContact O-CB 3.35Å; L94-Q98 PolarHBondContact O-N 3.49Å
99S69.8Low77.9Confident101 Ų10158 Ų5871%0.70629%0.292SS*.THydrogen-bonded Turntrans-93.17.9178.271.40000114.1V97V97-S99 PolarHBondContact O-N 2.89Å; V97-S99 VanDerWaalsContact O-N 3.09Å
100R77.9Confident79Confident93 Ų9354.8 Ų54.835%0.35128%0.277SS..  trans-11472.8-167.7-60.4-74.7-168.5171.73.7111.5Q15 E96 V97 Y102 C103 L104Q15-R100 PolarHBondContact OE1-O 3.35Å; E96-R100 WeakPolarHBondContact O-CG 3.4Å; V97-R100 WeakPolarHBondContact O-CA 3.44Å; V97-R100 WeakPolarHBondContact O-CB 3.16Å; V97-R100 PolarHBondContact O-N 3.2Å; R100-Y102 VanDerWaalsContact C-N 3.35Å; R100-Y102 PolarHBondContact O-N 2.97Å; R100-C103 WeakPolarHBondContact CB-SG 3.43Å; R100-C103 PolarHBondContact O-N 3.03Å; R100-C103 PolarHBondContact O-SG 3.1Å; R100-L104 PolarHBondContact O-N 3.06Å
101Y83.4Confident80.2Confident102 Ų10253 Ų5340%0.427%0.27SS..Hα-helixtrans-43.2-51.8-177.9177.4-83.6000114.3E75 C103 L104 A105E75-Y101 HydrophobicContact CB-CD2 4.05Å; E75-Y101 HydrophobicContact CB-CE2 4.22Å; E75-Y101 VanDerWaalsContact CD-CD2 3.4Å; E75-Y101 HydrophobicContact CG-CD2 4.14Å; E75-Y101 HydrophobicContact CG-CE2 4.19Å; E75-Y101 WeakPolarHBondContact OE2-CD2 3.38Å; Y101-C103 PolarHBondContact O-N 3.39Å; Y101-L104 PolarHBondContact O-N 3.35Å; Y101-A105 HydrophobicContact CE1-CB 4.22Å; Y101-A105 WeakPolarHBondContact O-CB 3.43Å; Y101-A105 PolarHBondContact O-N 2.8Å
102Y84.1Confident81.1Confident168 Ų16853.2 Ų53.266%0.65926%0.263SS*.Hα-helixtrans-70.4-34.2-167.7-65.6-64000113.6R100 A106R100-Y102 VanDerWaalsContact C-N 3.35Å; R100-Y102 PolarHBondContact O-N 2.97Å; Y102-A106 WeakPolarHBondContact O-CB 3.29Å; Y102-A106 PolarHBondContact O-N 3.29Å
103C86.2Confident82.1Confident0 Ų050.9 Ų50.90%024%0.243CC..Hα-helixtrans-75.8-37.7176.668.50000111.8L13 Q15 R100 Y101 A106 A107L13-C103 HydrophobicContact CB-CB 4.49Å; Q15-C103 HydrophobicContact CB-CB 4.26Å; R100-C103 WeakPolarHBondContact CB-SG 3.43Å; R100-C103 PolarHBondContact O-N 3.03Å; R100-C103 PolarHBondContact O-SG 3.1Å; Y101-C103 PolarHBondContact O-N 3.39Å; C103-A106 PolarHBondContact O-N 3.32Å; C103-A107 WeakPolarHBondContact O-CB 3.42Å; C103-A107 PolarHBondContact O-N 2.99Å
104L86.3Confident82.8Confident3 Ų351 Ų512%0.01624%0.243CC..Hα-helixtrans-60.8-48.6174-74.4175.6000112.1E75 L79 I82 V97 R100 Y101 A106 A107 A108E75-L104 HydrophobicContact CB-CB 4.1Å; E75-L104 HydrophobicContact CB-CD1 4.4Å; L79-L104 HydrophobicContact CB-CD2 4.33Å; L79-L104 HydrophobicContact CD1-CD1 4.29Å; I82-L104 HydrophobicContact CD1-CD2 3.46Å; I82-L104 VanDerWaalsContact CD1-CD2 3.46Å; V97-L104 HydrophobicContact CG1-CD1 4.27Å; V97-L104 HydrophobicContact CG1-CD2 3.37Å; V97-L104 HydrophobicContact CG1-CG 3.55Å; V97-L104 WeakPolarHBondContact O-CD1 3.23Å; R100-L104 PolarHBondContact O-N 3.06Å; Y101-L104 PolarHBondContact O-N 3.35Å; L104-A106 VanDerWaalsContact C-N 3.31Å; L104-A106 PolarHBondContact O-N 2.96Å; L104-A107 PolarHBondContact O-N 3.3Å; L104-A108 PolarHBondContact O-N 3.42Å
105A88.6Confident83.5Confident5 Ų550.8 Ų50.84%0.04124%0.242CC..Hα-helixtrans-61.8-39.317800000112F73 Y101 A109F73-A105 WeakPolarHBondContact CA-O 3.47Å; F73-A105 HydrophobicContact CB-CB 4.22Å; F73-A105 WeakPolarHBondContact CD1-O 3.27Å; Y101-A105 HydrophobicContact CE1-CB 4.22Å; Y101-A105 WeakPolarHBondContact O-CB 3.43Å; Y101-A105 PolarHBondContact O-N 2.8Å; A105-A109 PolarHBondContact O-N 2.95Å
106A90.1Very high84.2Confident19 Ų1951 Ų5116%0.15724%0.238CC..Hα-helixtrans-66.4-40.5175.600000112.3A2 Y102 C103 L104 A109 L110A2-A106 HydrophobicContact CB-CB 3.92Å; Y102-A106 WeakPolarHBondContact O-CB 3.29Å; Y102-A106 PolarHBondContact O-N 3.29Å; C103-A106 PolarHBondContact O-N 3.32Å; L104-A106 VanDerWaalsContact C-N 3.31Å; L104-A106 PolarHBondContact O-N 2.96Å; A106-A109 PolarHBondContact O-N 3.48Å; A106-L110 VanDerWaalsContact O-CB 3.31Å; A106-L110 WeakPolarHBondContact O-CB 3.4Å; A106-L110 PolarHBondContact O-N 2.9Å
107A90.9Very high84.9Confident2 Ų250.9 Ų50.92%0.01724%0.239CC..Hα-helixtrans-63.3-42.4177.600000112.2A2 L13 C103 L104 A109 L110 L111A2-A107 HydrophobicContact CB-CB 4.09Å; L13-A107 HydrophobicContact CD2-CB 3.65Å; C103-A107 WeakPolarHBondContact O-CB 3.42Å; C103-A107 PolarHBondContact O-N 2.99Å; L104-A107 PolarHBondContact O-N 3.3Å; A107-A109 PolarHBondContact O-N 2.84Å; A107-L110 PolarHBondContact O-N 3.27Å; A107-L111 WeakPolarHBondContact O-CB 3.27Å; A107-L111 PolarHBondContact O-N 3.1Å
108A91Very high84.9Confident2 Ų253.7 Ų53.72%0.01725%0.252CS..Hα-helixtrans-59.1-46.7177.200000112.2Y72 N74 K77 L104 K112Y72-A108 WeakPolarHBondContact O-CB 3.4Å; N74-A108 VanDerWaalsContact O-CB 3.25Å; N74-A108 WeakPolarHBondContact O-CB 3.14Å; K77-A108 HydrophobicContact CB-CB 4.49Å; L104-A108 PolarHBondContact O-N 3.42Å; A108-K112 WeakPolarHBondContact O-CB 3.41Å; A108-K112 PolarHBondContact O-N 2.89Å; A108-K112 VanDerWaalsContact O-N 3.15Å
109A90.9Very high85.2Confident1 Ų150.5 Ų50.51%0.00824%0.24CC..Hα-helixtrans-66-42.8178.500000111.6V68 Y72 F73 A105 A106 A107 Y113V68-A109 HydrophobicContact CG1-CB 4.45Å; Y72-A109 PolarHBondContact O-N 3.47Å; F73-A109 HydrophobicContact CD1-CB 3.73Å; F73-A109 HydrophobicContact CD2-CB 3.74Å; F73-A109 HydrophobicContact CE1-CB 3.63Å; F73-A109 HydrophobicContact CE2-CB 3.64Å; F73-A109 HydrophobicContact CG-CB 3.79Å; F73-A109 HydrophobicContact CZ-CB 3.58Å; A105-A109 PolarHBondContact O-N 2.95Å; A106-A109 PolarHBondContact O-N 3.48Å; A107-A109 PolarHBondContact O-N 2.84Å; A109-Y113 VanDerWaalsContact O-CB 3.25Å; A109-Y113 WeakPolarHBondContact O-CB 3.5Å; A109-Y113 PolarHBondContact O-N 3.37Å
110L90.9Very high85.5Confident21 Ų2146.1 Ų46.111%0.1121%0.209CC..Hα-helixtrans-61.5-51.3179.3-179.965000112A2 I4 I38 A106 A107 K112 Y113 V114A2-L110 HydrophobicContact CB-CD2 3.97Å; I4-L110 HydrophobicContact CB-CD2 3.86Å; I4-L110 HydrophobicContact CB-CG 4.38Å; I4-L110 HydrophobicContact CG2-CD1 3.77Å; I4-L110 HydrophobicContact CG2-CD2 3.77Å; I4-L110 HydrophobicContact CG2-CG 3.81Å; I38-L110 HydrophobicContact CD1-CD1 3.57Å; A106-L110 VanDerWaalsContact O-CB 3.31Å; A106-L110 WeakPolarHBondContact O-CB 3.4Å; A106-L110 PolarHBondContact O-N 2.9Å; A107-L110 PolarHBondContact O-N 3.27Å; L110-K112 PolarHBondContact O-N 3.42Å; L110-Y113 WeakPolarHBondContact O-CB 3.25Å; L110-Y113 PolarHBondContact O-N 2.86Å; L110-V114 WeakPolarHBondContact O-CG2 3.01Å; L110-V114 PolarHBondContact O-N 3.42Å
111L89.2Confident85.7Confident12 Ų1244.8 Ų44.86%0.06321%0.211CC..Hα-helixtrans-61-44.3179.7-80.4174000111.6I4 I11 Y81 L85 A107 Y113 V114 E115 Y122I4-L111 HydrophobicContact CD1-CD2 4.41Å; I11-L111 HydrophobicContact CD1-CD1 4.17Å; I11-L111 HydrophobicContact CD1-CD2 3.54Å; I11-L111 HydrophobicContact CD1-CG 4.03Å; Y81-L111 HydrophobicContact CD2-CD1 4.36Å; Y81-L111 HydrophobicContact CG-CD1 4.14Å; L85-L111 HydrophobicContact CD1-CD1 4.02Å; L85-L111 HydrophobicContact CD1-CD2 4.25Å; A107-L111 WeakPolarHBondContact O-CB 3.27Å; A107-L111 PolarHBondContact O-N 3.1Å; L111-Y113 VanDerWaalsContact C-N 3.27Å; L111-Y113 PolarHBondContact O-N 3.13Å; L111-V114 PolarHBondContact O-N 2.96Å; L111-E115 WeakPolarHBondContact O-CB 3.43Å; L111-E115 PolarHBondContact O-N 3.43Å; L111-Y122 HydrophobicContact CD2-CD2 4.2Å; L111-Y122 HydrophobicContact CD2-CE2 4.28Å
112K87.6Confident85.7Confident64 Ų6440.5 Ų40.528%0.27820%0.195SC..Hα-helixtrans-64-35.9178-167.171.6-155.8162.30112.3Y72 A108 L110 E115 F116Y72-K112 HydrophobicContact CD1-CG 3.93Å; Y72-K112 HydrophobicContact CE1-CG 4.1Å; A108-K112 WeakPolarHBondContact O-CB 3.41Å; A108-K112 PolarHBondContact O-N 2.89Å; A108-K112 VanDerWaalsContact O-N 3.15Å; L110-K112 PolarHBondContact O-N 3.42Å; K112-E115 VanDerWaalsContact NZ-CD 3.32Å; K112-E115 IonicContact NZ-OE1 2.74Å; K112-E115 PolarHBondContact NZ-OE1 2.67Å; K112-E115 IonicContact NZ-OE2 2.96Å; K112-E115 PolarHBondContact NZ-OE2 3.45Å; K112-F116 PolarHBondContact O-N 2.96Å; K112-F116 VanDerWaalsContact O-N 3.12Å
113Y88.3Confident85.4Confident30 Ų3032.5 Ų32.512%0.11816%0.163CC..Hα-helixtrans-69.3-45.7178-175.8-100.7000112.1E36 I38 T66 V68 A109 L110 L111 E115 F116 I117E36-Y113 PolarHBondContact OE1-OH 3.15Å; E36-Y113 PolarHBondContact OE2-OH 3.22Å; I38-Y113 HydrophobicContact CD1-CD1 3.16Å; I38-Y113 HydrophobicContact CD1-CE1 3.65Å; I38-Y113 HydrophobicContact CD1-CG 3.62Å; I38-Y113 HydrophobicContact CG1-CD1 3.78Å; I38-Y113 HydrophobicContact CG1-CE1 3.79Å; I38-Y113 HydrophobicContact CG1-CG 4.18Å; T66-Y113 WeakPolarHBondContact CB-OH 3.18Å; T66-Y113 HydrophobicContact CG2-CE2 3.48Å; T66-Y113 VanDerWaalsContact CG2-CE2 3.48Å; T66-Y113 WeakPolarHBondContact CG2-OH 3.45Å; T66-Y113 PolarHBondContact OG1-OH 2.86Å; T66-Y113 VanDerWaalsContact OG1-OH 3.1Å; V68-Y113 HydrophobicContact CG2-CD2 3.62Å; V68-Y113 HydrophobicContact CG2-CE2 4.13Å; V68-Y113 HydrophobicContact CG2-CG 4.34Å; A109-Y113 VanDerWaalsContact O-CB 3.25Å; A109-Y113 WeakPolarHBondContact O-CB 3.5Å; A109-Y113 PolarHBondContact O-N 3.37Å; L110-Y113 WeakPolarHBondContact O-CB 3.25Å; L110-Y113 PolarHBondContact O-N 2.86Å; L111-Y113 VanDerWaalsContact C-N 3.27Å; L111-Y113 PolarHBondContact O-N 3.13Å; Y113-E115 VanDerWaalsContact C-N 3.3Å; Y113-E115 PolarHBondContact O-N 3.32Å; Y113-F116 WeakPolarHBondContact O-CB 3.4Å; Y113-F116 PolarHBondContact O-N 3.09Å; Y113-F116 VanDerWaalsContact O-N 3.11Å; Y113-I117 HydrophobicContact CD1-CD1 4.03Å; Y113-I117 HydrophobicContact CD1-CG1 4.48Å; Y113-I117 HydrophobicContact CE1-CD1 3.26Å; Y113-I117 HydrophobicContact CE1-CG1 4.13Å; Y113-I117 HydrophobicContact CE2-CD1 3.94Å; Y113-I117 HydrophobicContact CE2-CG1 4.39Å; Y113-I117 PolarHBondContact O-N 2.89Å; Y113-I117 WeakPolarHBondContact OH-CD1 3.48Å
114V86.2Confident85.2Confident10 Ų1037 Ų376%0.06119%0.192CC..Hα-helixtrans-60.7-41.8174.4173.80000110.9I4 L6 L110 L111 F116 I117 Q118 Y122I4-V114 HydrophobicContact CG2-CG2 3.85Å; L6-V114 HydrophobicContact CD2-CG1 3.95Å; L6-V114 HydrophobicContact CD2-CG2 4.27Å; L110-V114 WeakPolarHBondContact O-CG2 3.01Å; L110-V114 PolarHBondContact O-N 3.42Å; L111-V114 PolarHBondContact O-N 2.96Å; V114-F116 PolarHBondContact O-N 3.29Å; V114-I117 PolarHBondContact O-N 3.17Å; V114-Q118 HydrophobicContact CG1-CG 4.14Å; V114-Q118 WeakPolarHBondContact O-CB 3.44Å; V114-Q118 PolarHBondContact O-N 2.82Å; V114-Y122 HydrophobicContact CG1-CE2 3.98Å
115E85.3Confident85Confident40 Ų4043.6 Ų43.619%0.18722%0.221CC..Hα-helixtrans-60.1-32.8176-163.1-153.3139.300112.8L111 K112 Y113 N119 S120 V121 K235L111-E115 WeakPolarHBondContact O-CB 3.43Å; L111-E115 PolarHBondContact O-N 3.43Å; K112-E115 VanDerWaalsContact NZ-CD 3.32Å; K112-E115 IonicContact NZ-OE1 2.74Å; K112-E115 PolarHBondContact NZ-OE1 2.67Å; K112-E115 IonicContact NZ-OE2 2.96Å; K112-E115 PolarHBondContact NZ-OE2 3.45Å; Y113-E115 VanDerWaalsContact C-N 3.3Å; Y113-E115 PolarHBondContact O-N 3.32Å; E115-N119 PolarHBondContact O-N 2.76Å; E115-S120 WeakPolarHBondContact CA-O 3.5Å; E115-V121 HydrophobicContact CG-CG2 4.16Å; E115-K235 WeakPolarHBondContact OE1-CE 3.46Å; E115-K235 IonicContact OE1-NZ 3.08Å; E115-K235 PolarHBondContact OE1-NZ 2.83Å
116F85.1Confident84.6Confident167 Ų16743.3 Ų43.373%0.73222%0.219SC*.Hα-helixtrans-77-45.4177.3178.8-100000112.1K112 Y113 V114K112-F116 PolarHBondContact O-N 2.96Å; K112-F116 VanDerWaalsContact O-N 3.12Å; Y113-F116 WeakPolarHBondContact O-CB 3.4Å; Y113-F116 PolarHBondContact O-N 3.09Å; Y113-F116 VanDerWaalsContact O-N 3.11Å; V114-F116 PolarHBondContact O-N 3.29Å
117I82.4Confident84.3Confident90 Ų9042.4 Ų42.446%0.46221%0.211SC..Hα-helixtrans-73.8-47.7-177.3-70.7-165.1000112.5Y113 V114 N119Y113-I117 HydrophobicContact CD1-CD1 4.03Å; Y113-I117 HydrophobicContact CD1-CG1 4.48Å; Y113-I117 HydrophobicContact CE1-CD1 3.26Å; Y113-I117 HydrophobicContact CE1-CG1 4.13Å; Y113-I117 HydrophobicContact CE2-CD1 3.94Å; Y113-I117 HydrophobicContact CE2-CG1 4.39Å; Y113-I117 PolarHBondContact O-N 2.89Å; Y113-I117 WeakPolarHBondContact OH-CD1 3.48Å; V114-I117 PolarHBondContact O-N 3.17Å; I117-N119 VanDerWaalsContact C-N 3.29Å; I117-N119 PolarHBondContact O-N 3.1Å
118Q75.4Confident83.9Confident61 Ų6143.3 Ų43.329%0.28522%0.215SC..SBendtrans-82.5-10.6-175.1-65.5-163.8-34.800113.2V114 S120V114-Q118 HydrophobicContact CG1-CG 4.14Å; V114-Q118 WeakPolarHBondContact O-CB 3.44Å; V114-Q118 PolarHBondContact O-N 2.82Å; Q118-S120 VanDerWaalsContact CB-OG 3.23Å; Q118-S120 WeakPolarHBondContact CB-OG 3.32Å; Q118-S120 PolarHBondContact O-N 2.97Å; Q118-S120 VanDerWaalsContact O-N 3.13Å; Q118-S120 PolarHBondContact OE1-OG 3.23Å
119N78.9Confident83.5Confident70 Ų7043.2 Ų43.237%0.37421%0.214SC..  trans48.837.4-172.1-16232.7000112.1E115 I117 K235E115-N119 PolarHBondContact O-N 2.76Å; I117-N119 VanDerWaalsContact C-N 3.29Å; I117-N119 PolarHBondContact O-N 3.1Å; N119-K235 VanDerWaalsContact O-CB 3.24Å; N119-K235 WeakPolarHBondContact O-CB 3.23Å; N119-K235 WeakPolarHBondContact O-CG 3.29Å; N119-K235 PolarHBondContact O-N 3.01Å; N119-K235 WeakPolarHBondContact OD1-CD 3.32Å
120S76.4Confident83Confident9 Ų946.1 Ų46.16%0.06323%0.225CC..EExtended strand (participates in β ladder)trans-133.1158.5-178.363.80000109.9E115 Q118 I233E115-S120 WeakPolarHBondContact CA-O 3.5Å; Q118-S120 VanDerWaalsContact CB-OG 3.23Å; Q118-S120 WeakPolarHBondContact CB-OG 3.32Å; Q118-S120 PolarHBondContact O-N 2.97Å; Q118-S120 VanDerWaalsContact O-N 3.13Å; Q118-S120 PolarHBondContact OE1-OG 3.23Å; S120-I233 CarbonylContact C-O 3.56Å; S120-I233 VanDerWaalsContact CA-O 3.27Å; S120-I233 WeakPolarHBondContact CA-O 3.48Å; S120-I233 WeakPolarHBondContact CB-O 3.19Å
121V82.2Confident82.3Confident64 Ų6446.2 Ų46.239%0.38823%0.225SC..EExtended strand (participates in β ladder)trans-124.1145.1173.8-171.30000107.5E115 I233 K235E115-V121 HydrophobicContact CG-CG2 4.16Å; V121-I233 PolarHBondContact N-O 2.94Å; V121-I233 WeakPolarHBondContact O-CA 3.34Å; V121-I233 WeakPolarHBondContact O-CB 3.28Å; V121-I233 PolarHBondContact O-N 2.98Å; V121-K235 HydrophobicContact CG2-CD 4.36Å; V121-K235 HydrophobicContact CG2-CG 4.07Å
122Y83.3Confident81.4Confident13 Ų1347 Ų475%0.05123%0.228CC..EExtended strand (participates in β ladder)trans-76.8143.2173.5-66.1-76.9000110.6I4 L85 L111 V114 L127 V231 Q232I4-Y122 HydrophobicContact CD1-CE2 3.71Å; I4-Y122 VanDerWaalsContact CD1-OH 3.3Å; I4-Y122 WeakPolarHBondContact CD1-OH 3.47Å; L85-Y122 WeakPolarHBondContact CD2-O 3.5Å; L111-Y122 HydrophobicContact CD2-CD2 4.2Å; L111-Y122 HydrophobicContact CD2-CE2 4.28Å; V114-Y122 HydrophobicContact CG1-CE2 3.98Å; Y122-L127 HydrophobicContact CD1-CD1 4.28Å; Y122-L127 HydrophobicContact CD1-CD2 3.63Å; Y122-L127 HydrophobicContact CD1-CG 4.29Å; Y122-L127 HydrophobicContact CD2-CD1 3.98Å; Y122-L127 HydrophobicContact CE1-CD2 4.05Å; Y122-L127 HydrophobicContact CG-CD1 3.77Å; Y122-L127 HydrophobicContact CG-CD2 3.97Å; Y122-L127 HydrophobicContact CG-CG 4.14Å; Y122-V231 HydrophobicContact CD1-CG1 4.04Å; Y122-Q232 HydrophobicContact CD1-CG 3.89Å; Y122-Q232 HydrophobicContact CE1-CG 3.46Å; Y122-Q232 VanDerWaalsContact CE1-CG 3.46Å
123A78.5Confident80.2Confident0 Ų045.5 Ų45.50%023%0.231CC..PPolyproline II helixtrans-59.1149.3176.600000111.4S126 V231 I233 Y432A123-S126 VanDerWaalsContact C-OG 3.32Å; A123-S126 WeakPolarHBondContact O-CB 3.36Å; A123-S126 PolarHBondContact O-OG 3.12Å; A123-V231 HydrophobicContact CB-CG1 4.46Å; A123-V231 PolarHBondContact N-O 3.33Å; A123-V231 VanDerWaalsContact N-O 3.07Å; A123-I233 HydrophobicContact CB-CD1 3.67Å; A123-I233 HydrophobicContact CB-CG1 4.18Å; A123-Y432 HydrophobicContact CB-CD2 4.18Å; A123-Y432 HydrophobicContact CB-CE2 4.02Å
124P80.8Confident78.7Confident93 Ų9349 Ų4960%0.60426%0.259SS*.THydrogen-bonded Turntrans-59.9146172.1-21.733000111.6Q84 S126Q84-P124 WeakPolarHBondContact O-CA 3.34Å; P124-S126 PolarHBondContact O-N 3.24Å; P124-S126 VanDerWaalsContact O-N 3.13Å
125K81.8Confident77.3Confident142 Ų14251.7 Ų51.762%0.61727%0.271SS*.THydrogen-bonded Turntrans51.832.4176.4-57.6-179.9179.7177.60115.5Q84 L85 C86 I87Q84-K125 PolarHBondContact O-N 2.92Å; L85-K125 CarbonylContact O-C 3.5Å; L85-K125 WeakPolarHBondContact O-CA 3.34Å; C86-K125 WeakPolarHBondContact O-CA 3.32Å; I87-K125 WeakPolarHBondContact CG1-O 3.47Å
126S81.8Confident76.4Confident0 Ų056.3 Ų56.30%029%0.293CS..  trans-118.7-16.8-169.369.20000113.9L85 A123 P124 V231 Y439L85-S126 PolarHBondContact O-N 3.16Å; A123-S126 VanDerWaalsContact C-OG 3.32Å; A123-S126 WeakPolarHBondContact O-CB 3.36Å; A123-S126 PolarHBondContact O-OG 3.12Å; P124-S126 PolarHBondContact O-N 3.24Å; P124-S126 VanDerWaalsContact O-N 3.13Å; S126-V231 VanDerWaalsContact CB-CG1 3.46Å; S126-V231 WeakPolarHBondContact OG-CG1 3.39Å; S126-Y439 PolarHBondContact O-OH 3.33Å
127L83.2Confident76Confident0 Ų050 Ų500%027%0.268CS..BIsolated β-bridgetrans-92.5136-177.1-70.4-178.5000111.7P9 I11 L85 I87 Y122 I129 V231P9-L127 HydrophobicContact CB-CD2 3.79Å; I11-L127 HydrophobicContact CD1-CD1 3.68Å; I11-L127 HydrophobicContact CG1-CD1 4.33Å; L85-L127 HydrophobicContact CB-CB 4.46Å; L85-L127 HydrophobicContact CB-CD1 3.99Å; L85-L127 HydrophobicContact CB-CG 4.41Å; L85-L127 HydrophobicContact CD1-CD1 3.99Å; L85-L127 HydrophobicContact CG-CD1 4.49Å; L85-L127 PolarHBondContact O-N 3.48Å; I87-L127 WeakPolarHBondContact CG1-O 3.49Å; I87-L127 PolarHBondContact N-O 3.3Å; I87-L127 VanDerWaalsContact N-O 3.14Å; Y122-L127 HydrophobicContact CD1-CD1 4.28Å; Y122-L127 HydrophobicContact CD1-CD2 3.63Å; Y122-L127 HydrophobicContact CD1-CG 4.29Å; Y122-L127 HydrophobicContact CD2-CD1 3.98Å; Y122-L127 HydrophobicContact CE1-CD2 4.05Å; Y122-L127 HydrophobicContact CG-CD1 3.77Å; Y122-L127 HydrophobicContact CG-CD2 3.97Å; Y122-L127 HydrophobicContact CG-CG 4.14Å; L127-I129 HydrophobicContact CB-CD1 4.42Å; L127-I129 HydrophobicContact CB-CG1 4.02Å; L127-I129 PolarHBondContact O-N 2.7Å; L127-V231 HydrophobicContact CD2-CG1 4.04Å
128K82.2Confident76Confident21 Ų2145.8 Ų45.89%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-79.798.5167.4-180177.8176.1-172.60108.5P9 Q10 I11 I87 F90 Y130 Y439 D443P9-K128 PolarHBondContact O-N 3.35Å; Q10-K128 CarbonylContact C-O 3.56Å; Q10-K128 VanDerWaalsContact CA-O 3.25Å; Q10-K128 WeakPolarHBondContact CA-O 3.46Å; Q10-K128 HydrophobicContact CG-CB 4.21Å; Q10-K128 HydrophobicContact CG-CD 4.24Å; I11-K128 PolarHBondContact N-O 3.49Å; I87-K128 HydrophobicContact CD1-CB 4.34Å; F90-K128 HydrophobicContact CD2-CG 4.13Å; F90-K128 HydrophobicContact CE2-CD 4.12Å; F90-K128 HydrophobicContact CE2-CG 3.77Å; F90-K128 HydrophobicContact CZ-CD 4.1Å; F90-K128 HydrophobicContact CZ-CG 4.02Å; K128-Y130 HydrophobicContact CG-CD1 4.31Å; K128-Y439 HydrophobicContact CB-CD1 3.89Å; K128-Y439 HydrophobicContact CB-CE1 3.61Å; K128-Y439 HydrophobicContact CB-CG 4.45Å; K128-Y439 HydrophobicContact CD-CD1 3.89Å; K128-Y439 HydrophobicContact CD-CE1 4.39Å; K128-Y439 HydrophobicContact CD-CG 4.43Å; K128-D443 IonicContact NZ-OD1 3.6Å; K128-D443 PolarHBondContact NZ-OD1 2.94Å; K128-D443 IonicContact NZ-OD2 2.81Å; K128-D443 PolarHBondContact NZ-OD2 2.96Å
129I84Confident76.2Confident0 Ų044.4 Ų44.40%024%0.241CC..EExtended strand (participates in β ladder)trans-101.9126176.2-51.4-174.4000107.5I11 L13 I82 L85 C86 L127I11-I129 HydrophobicContact CB-CG1 4.19Å; I11-I129 HydrophobicContact CB-CG2 4.33Å; I11-I129 HydrophobicContact CD1-CD1 4.35Å; I11-I129 HydrophobicContact CD1-CG1 4.46Å; I11-I129 HydrophobicContact CG2-CG2 4.48Å; I11-I129 WeakPolarHBondContact O-CA 3.29Å; L13-I129 HydrophobicContact CD1-CG2 3.82Å; L13-I129 HydrophobicContact CG-CG2 4.2Å; I82-I129 HydrophobicContact CB-CD1 4.24Å; I82-I129 HydrophobicContact CG1-CD1 4.1Å; I82-I129 HydrophobicContact CG1-CG2 4.48Å; I82-I129 HydrophobicContact CG2-CD1 4Å; I82-I129 HydrophobicContact CG2-CG2 4.21Å; L85-I129 HydrophobicContact CB-CD1 4.47Å; C86-I129 HydrophobicContact CB-CB 4.44Å; C86-I129 HydrophobicContact CB-CD1 4.01Å; C86-I129 HydrophobicContact CB-CG1 4.29Å; L127-I129 HydrophobicContact CB-CD1 4.42Å; L127-I129 HydrophobicContact CB-CG1 4.02Å; L127-I129 PolarHBondContact O-N 2.7Å
130Y80.1Confident76.3Confident62 Ų6241.3 Ų41.324%0.24322%0.224CC..EExtended strand (participates in β ladder)trans-137.3148.517763.7-85.8000111.6Q10 I11 M12 L13 K128 Q132Q10-Y130 HydrophobicContact CB-CE1 4.3Å; I11-Y130 PolarHBondContact O-N 3.03Å; M12-Y130 HydrophobicContact CB-CE1 4.37Å; M12-Y130 HydrophobicContact CB-CE2 4.09Å; M12-Y130 HydrophobicContact CG-CD2 4.47Å; M12-Y130 HydrophobicContact CG-CE2 3.66Å; M12-Y130 HydrophobicContact SD-CE2 4.44Å; L13-Y130 PolarHBondContact N-O 2.89Å; K128-Y130 HydrophobicContact CG-CD1 4.31Å; Y130-Q132 HydrophobicContact CD2-CB 4.36Å; Y130-Q132 HydrophobicContact CE2-CB 4.24Å
131F75.7Confident76Confident23 Ų2341.4 Ų41.410%0.10122%0.224CC..EExtended strand (participates in β ladder)trans-93.2127.3169.8-175.5-97.6000109.1L13 Q15 V93 E96 V97L13-F131 HydrophobicContact CB-CD2 4.07Å; L13-F131 CarbonylContact O-C 3.58Å; L13-F131 WeakPolarHBondContact O-CA 3.48Å; Q15-F131 HydrophobicContact CB-CE2 4.01Å; Q15-F131 HydrophobicContact CB-CZ 4.19Å; V93-F131 HydrophobicContact CG1-CB 4.11Å; E96-F131 HydrophobicContact CG-CD1 3.94Å; E96-F131 HydrophobicContact CG-CE1 4.44Å; E96-F131 HydrophobicContact CG-CG 4.3Å; E96-F131 WeakPolarHBondContact OE1-CD1 3.33Å; V97-F131 HydrophobicContact CG2-CB 3.81Å; V97-F131 HydrophobicContact CG2-CD2 3.77Å; V97-F131 HydrophobicContact CG2-CG 4.05Å
132Q70Confident75.3Confident27 Ų2739.1 Ų39.113%0.12621%0.211CC..  trans-108.7107.2174-162.9179.936.500107.2M12 L13 S14 K28 Y130 E135M12-Q132 VanDerWaalsContact CE-OE1 3.32Å; M12-Q132 HydrophobicContact CG-CB 4.18Å; M12-Q132 PolarHBondContact SD-OE1 3.37Å; L13-Q132 PolarHBondContact O-N 3.26Å; S14-Q132 WeakPolarHBondContact CB-O 3.28Å; K28-Q132 VanDerWaalsContact NZ-CD 3.27Å; Y130-Q132 HydrophobicContact CD2-CB 4.36Å; Y130-Q132 HydrophobicContact CE2-CB 4.24Å; Q132-E135 HydrophobicContact CG-CG 3.78Å; Q132-E135 PolarHBondContact NE2-OE1 3.16Å; Q132-E135 PolarHBondContact NE2-OE2 2.87Å
133G62.1Low74.8Confident33 Ų3340 Ų4034%0.3422%0.219SC..  trans-72.3-162.9175.100000112.9E135G133-E135 PolarHBondContact O-N 3.48Å
134S56.2Low74.9Confident103 Ų10340 Ų4072%0.7222%0.219SC*.SBendtrans-69.2104166.7-168.40000107.5
135E57.2Low74.9Confident67 Ų6736.2 Ų36.231%0.31320%0.196SC..  trans-64.5152.5-174.1-67.3-169.7121.700112.8K28 Q132 G133 T137K28-E135 IonicContact NZ-OE2 3.67Å; K28-E135 PolarHBondContact NZ-OE2 2.93Å; K28-E135 VanDerWaalsContact NZ-OE2 3.07Å; Q132-E135 HydrophobicContact CG-CG 3.78Å; Q132-E135 PolarHBondContact NE2-OE1 3.16Å; Q132-E135 PolarHBondContact NE2-OE2 2.87Å; G133-E135 PolarHBondContact O-N 3.48Å; E135-T137 HydrophobicContact CB-CG2 3.86Å; E135-T137 WeakPolarHBondContact CB-OG1 3.19Å; E135-T137 PolarHBondContact O-N 3.22Å; E135-T137 PolarHBondContact OE2-OG1 3Å
136Q67.1Low74.8Confident138 Ų13834.5 Ų34.565%0.64519%0.19SC*.SBendtrans-74.348.5160.3-66.7-176.8-21.800110.2V188Q136-V188 HydrophobicContact CB-CB 4.43Å; Q136-V188 VanDerWaalsContact O-CB 3.32Å; Q136-V188 WeakPolarHBondContact O-CB 3.47Å; Q136-V188 PolarHBondContact O-N 3.04Å
137T77.4Confident74.9Confident34 Ų3435 Ų3521%0.20919%0.192CC..BIsolated β-bridgetrans-115.1149175.854.60000109.4E135 E185 P186E135-T137 HydrophobicContact CB-CG2 3.86Å; E135-T137 WeakPolarHBondContact CB-OG1 3.19Å; E135-T137 PolarHBondContact O-N 3.22Å; E135-T137 PolarHBondContact OE2-OG1 3Å; T137-E185 HydrophobicContact CG2-CB 4.05Å; T137-P186 CarbonylContact C-O 3.1Å; T137-P186 WeakPolarHBondContact CA-O 3.37Å; T137-P186 WeakPolarHBondContact CB-O 3.31Å
138A82.1Confident75.2Confident2 Ų235 Ų352%0.01719%0.193CC..  trans-71.8133.5178.700000109I140 P186 V188 A544 A545A138-I140 PolarHBondContact O-N 2.92Å; A138-P186 HydrophobicContact CB-CB 4.24Å; A138-P186 HydrophobicContact CB-CG 4.43Å; A138-P186 PolarHBondContact N-O 3Å; A138-V188 HydrophobicContact CB-CG2 4.34Å; A138-A544 VanDerWaalsContact CB-O 3.28Å; A138-A544 WeakPolarHBondContact CB-O 3.45Å; A138-A545 CarbonylContact C-O 3.59Å; A138-A545 VanDerWaalsContact CA-O 3.28Å; A138-A545 WeakPolarHBondContact CA-O 3.44Å
139M79.2Confident75.6Confident32 Ų3235.2 Ų35.216%0.15819%0.194CC..EExtended strand (participates in β ladder)trans-78122.6174-170.6-162.8-176.800109.8A23 A545 Q546 I547 Y573A23-M139 HydrophobicContact CB-CE 3.89Å; M139-A545 PolarHBondContact N-O 3.22Å; M139-Q546 HydrophobicContact CB-CB 4.49Å; M139-Q546 HydrophobicContact CB-CG 4.06Å; M139-Q546 WeakPolarHBondContact O-CA 3.48Å; M139-I547 PolarHBondContact O-N 2.94Å; M139-Y573 WeakPolarHBondContact CE-OH 3.31Å
140I81Confident75.7Confident4 Ų435.2 Ų35.22%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-116.5122.1165.2-52.2179.2000106.7T27 A138 A145 L150 P186 I526 I547T27-I140 VanDerWaalsContact CG2-O 3.25Å; T27-I140 WeakPolarHBondContact CG2-O 3.23Å; T27-I140 PolarHBondContact OG1-O 3.42Å; A138-I140 PolarHBondContact O-N 2.92Å; I140-A145 HydrophobicContact CG2-CB 4.17Å; I140-L150 HydrophobicContact CD1-CD1 4.04Å; I140-L150 HydrophobicContact CG2-CD1 4.25Å; I140-P186 HydrophobicContact CD1-CG 3.85Å; I140-I526 HydrophobicContact CD1-CD1 3.77Å; I140-I526 HydrophobicContact CD1-CG1 4.03Å; I140-I547 HydrophobicContact CG1-CB 4.42Å
141D70.3Confident75.9Confident11 Ų1133.8 Ų33.86%0.05919%0.19CC..  trans-76.4162.9175.972.9-87.3000111.6S143 S144 A145 Y573D141-S143 PolarHBondContact O-N 3.38Å; D141-S143 WeakPolarHBondContact OD2-CA 3.18Å; D141-S143 WeakPolarHBondContact OD2-CB 3.24Å; D141-S143 PolarHBondContact OD2-N 3.03Å; D141-S143 PolarHBondContact OD2-OG 3.1Å; D141-S144 PolarHBondContact O-N 3.27Å; D141-S144 VanDerWaalsContact OD1-CB 3.23Å; D141-S144 WeakPolarHBondContact OD1-CB 3.33Å; D141-S144 PolarHBondContact OD1-OG 3.44Å; D141-S144 PolarHBondContact OD2-N 3.35Å; D141-S144 PolarHBondContact OD2-OG 3.32Å; D141-A145 PolarHBondContact O-N 2.91Å; D141-Y573 HydrophobicContact CB-CE1 3.92Å
142S68.1Low76.2Confident17 Ų1735.6 Ų35.612%0.11920%0.203CC..Hα-helixtrans-52.4-49.7-179.7170.20000114Q30 S144 A145 Q146Q30-S142 VanDerWaalsContact CD-CB 3.47Å; Q30-S142 PolarHBondContact NE2-OG 3.31Å; S142-S144 VanDerWaalsContact C-N 3.26Å; S142-S144 PolarHBondContact O-N 3.45Å; S142-A145 PolarHBondContact O-N 3Å; S142-Q146 WeakPolarHBondContact O-CG 3.37Å; S142-Q146 PolarHBondContact O-N 3.48Å; S142-Q146 VanDerWaalsContact O-N 3.12Å
143S72.3Confident76.8Confident32 Ų3234.9 Ų34.922%0.22420%0.2CC..Hα-helixtrans-65.4-38.5-176.170.70000109.7D141 Q146 N147D141-S143 PolarHBondContact O-N 3.38Å; D141-S143 WeakPolarHBondContact OD2-CA 3.18Å; D141-S143 WeakPolarHBondContact OD2-CB 3.24Å; D141-S143 PolarHBondContact OD2-N 3.03Å; D141-S143 PolarHBondContact OD2-OG 3.1Å; S143-Q146 PolarHBondContact O-N 3.21Å; S143-N147 VanDerWaalsContact O-CB 3.3Å; S143-N147 WeakPolarHBondContact O-CB 3.49Å; S143-N147 PolarHBondContact O-N 3.02Å; S143-N147 PolarHBondContact O-ND2 2.81Å
144S80.8Confident77.6Confident0 Ų036 Ų360%020%0.198CC..Hα-helixtrans-65-43175.1-64.30000113.9D141 S142 Q146 N147 L148 T549D141-S144 PolarHBondContact O-N 3.27Å; D141-S144 VanDerWaalsContact OD1-CB 3.23Å; D141-S144 WeakPolarHBondContact OD1-CB 3.33Å; D141-S144 PolarHBondContact OD1-OG 3.44Å; D141-S144 PolarHBondContact OD2-N 3.35Å; D141-S144 PolarHBondContact OD2-OG 3.32Å; S142-S144 VanDerWaalsContact C-N 3.26Å; S142-S144 PolarHBondContact O-N 3.45Å; S144-Q146 VanDerWaalsContact C-N 3.27Å; S144-Q146 PolarHBondContact O-N 2.81Å; S144-N147 PolarHBondContact O-N 3.26Å; S144-L148 VanDerWaalsContact O-CB 3.31Å; S144-L148 WeakPolarHBondContact O-CB 3.34Å; S144-L148 VanDerWaalsContact O-CG 3.25Å; S144-L148 WeakPolarHBondContact O-CG 3.41Å; S144-L148 PolarHBondContact O-N 3.05Å; S144-T549 WeakPolarHBondContact CA-OG1 3.34Å; S144-T549 VanDerWaalsContact CB-OG1 3.25Å; S144-T549 WeakPolarHBondContact CB-OG1 3.35Å; S144-T549 PolarHBondContact OG-N 2.84Å; S144-T549 PolarHBondContact OG-O 3.18Å; S144-T549 PolarHBondContact OG-OG1 2.59Å; S144-T549 VanDerWaalsContact OG-OG1 3.09Å
145A80.9Confident78.4Confident13 Ų1340 Ų4011%0.10721%0.205CC..Hα-helixtrans-62.1-35.8177.700000112.6I140 D141 S142 E149 L150 L184I140-A145 HydrophobicContact CG2-CB 4.17Å; D141-A145 PolarHBondContact O-N 2.91Å; S142-A145 PolarHBondContact O-N 3Å; A145-E149 PolarHBondContact O-N 2.71Å; A145-L150 HydrophobicContact CB-CD1 3.98Å; A145-L150 PolarHBondContact O-N 2.79Å; A145-L150 VanDerWaalsContact O-N 3.13Å; A145-L184 HydrophobicContact CB-CD2 4.12Å
146Q80.1Confident79.3Confident105 Ų10540.7 Ų40.749%0.49121%0.211SC..Hα-helixtrans-73.4-46.8174.6-70.4176.2-13.900112S142 S143 S144 L148 E149 N154S142-Q146 WeakPolarHBondContact O-CG 3.37Å; S142-Q146 PolarHBondContact O-N 3.48Å; S142-Q146 VanDerWaalsContact O-N 3.12Å; S143-Q146 PolarHBondContact O-N 3.21Å; S144-Q146 VanDerWaalsContact C-N 3.27Å; S144-Q146 PolarHBondContact O-N 2.81Å; Q146-L148 VanDerWaalsContact C-N 3.25Å; Q146-L148 PolarHBondContact O-N 3.33Å; Q146-E149 PolarHBondContact O-N 3.31Å; Q146-N154 PolarHBondContact O-ND2 3.32Å; Q146-N154 PolarHBondContact O-OD1 2.98Å
147N83.9Confident79.6Confident11 Ų1143 Ų436%0.05922%0.216CC..Hα-helixtrans-60-36.6179.9-74.4-18000112.7S143 S144 E149 K519 T549 I551S143-N147 VanDerWaalsContact O-CB 3.3Å; S143-N147 WeakPolarHBondContact O-CB 3.49Å; S143-N147 PolarHBondContact O-N 3.02Å; S143-N147 PolarHBondContact O-ND2 2.81Å; S144-N147 PolarHBondContact O-N 3.26Å; N147-E149 VanDerWaalsContact C-N 3.3Å; N147-K519 WeakPolarHBondContact O-CE 3.48Å; N147-K519 PolarHBondContact O-NZ 2.9Å; N147-T549 PolarHBondContact ND2-O 3.15Å; N147-I551 HydrophobicContact CB-CB 4.25Å
148L88.4Confident79.2Confident1 Ų152.1 Ų52.11%0.00525%0.246CC..THydrogen-bonded Turntrans-82.1-4.2176.5-66.2175.1000113.9S144 Q146 L150 K519 A522 L523 I526 T549S144-L148 VanDerWaalsContact O-CB 3.31Å; S144-L148 WeakPolarHBondContact O-CB 3.34Å; S144-L148 VanDerWaalsContact O-CG 3.25Å; S144-L148 WeakPolarHBondContact O-CG 3.41Å; S144-L148 PolarHBondContact O-N 3.05Å; Q146-L148 VanDerWaalsContact C-N 3.25Å; Q146-L148 PolarHBondContact O-N 3.33Å; L148-L150 HydrophobicContact CB-CD2 3.72Å; L148-L150 HydrophobicContact CB-CG 3.91Å; L148-L150 HydrophobicContact CD1-CD2 4.33Å; L148-L150 PolarHBondContact O-N 3.41Å; L148-K519 HydrophobicContact CD2-CB 4.32Å; L148-K519 HydrophobicContact CD2-CG 4.22Å; L148-A522 HydrophobicContact CD1-CB 3.78Å; L148-A522 HydrophobicContact CD2-CB 3.45Å; L148-A522 VanDerWaalsContact CD2-CB 3.45Å; L148-A522 HydrophobicContact CG-CB 4.27Å; L148-L523 HydrophobicContact CB-CD2 4.35Å; L148-I526 HydrophobicContact CD1-CD1 3.89Å; L148-T549 HydrophobicContact CD1-CG2 3.86Å; L148-T549 HydrophobicContact CD2-CG2 4.14Å; L148-T549 HydrophobicContact CG-CG2 4.02Å
149E89.9Confident79Confident25 Ų2553.1 Ų53.112%0.11725%0.253CS..THydrogen-bonded Turntrans5243.6-178-57.6-177.8127.500112.1A145 Q146 N147 L151 V152 N153 N154 T162 L163 I481A145-E149 PolarHBondContact O-N 2.71Å; Q146-E149 PolarHBondContact O-N 3.31Å; N147-E149 VanDerWaalsContact C-N 3.3Å; E149-L151 VanDerWaalsContact C-N 3.31Å; E149-L151 PolarHBondContact O-N 3.34Å; E149-V152 WeakPolarHBondContact CA-O 3.16Å; E149-N153 PolarHBondContact OE1-ND2 3.07Å; E149-N153 VanDerWaalsContact OE1-ND2 3.14Å; E149-N154 PolarHBondContact OE1-N 3.21Å; E149-T162 VanDerWaalsContact O-CA 3.26Å; E149-T162 WeakPolarHBondContact O-CA 3.35Å; E149-T162 WeakPolarHBondContact O-CB 3.47Å; E149-L163 PolarHBondContact O-N 2.98Å; E149-L163 VanDerWaalsContact O-N 3.09Å; E149-I481 HydrophobicContact CB-CD1 4.34Å
150L87.8Confident79.1Confident0 Ų057.3 Ų57.30%028%0.276CS..SBendtrans-62.7-40.8-175.4-63.6-173.6000111.7I140 A145 L148 L163 F164 I183 L184 L523 I526I140-L150 HydrophobicContact CD1-CD1 4.04Å; I140-L150 HydrophobicContact CG2-CD1 4.25Å; A145-L150 HydrophobicContact CB-CD1 3.98Å; A145-L150 PolarHBondContact O-N 2.79Å; A145-L150 VanDerWaalsContact O-N 3.13Å; L148-L150 HydrophobicContact CB-CD2 3.72Å; L148-L150 HydrophobicContact CB-CG 3.91Å; L148-L150 HydrophobicContact CD1-CD2 4.33Å; L148-L150 PolarHBondContact O-N 3.41Å; L150-L163 HydrophobicContact CD2-CB 4.28Å; L150-L163 HydrophobicContact CD2-CD2 3.82Å; L150-F164 VanDerWaalsContact O-CB 3.31Å; L150-F164 WeakPolarHBondContact O-CB 3.22Å; L150-F164 PolarHBondContact O-N 2.81Å; L150-I183 HydrophobicContact CB-CG2 3.88Å; L150-I183 HydrophobicContact CD1-CG2 4.27Å; L150-I183 HydrophobicContact CD2-CG2 4.36Å; L150-I183 HydrophobicContact CG-CG2 4.39Å; L150-L184 HydrophobicContact CD1-CD2 4.31Å; L150-L523 HydrophobicContact CD2-CD2 3.7Å; L150-I526 HydrophobicContact CD1-CD1 4.09Å; L150-I526 HydrophobicContact CD2-CD1 3.69Å
151L84.6Confident79.4Confident31 Ų3160.3 Ų60.316%0.16229%0.29CS..SBendtrans-127-34.4-174.1-62.3179000114.1E149 F164 R180 L184E149-L151 VanDerWaalsContact C-N 3.31Å; E149-L151 PolarHBondContact O-N 3.34Å; L151-F164 HydrophobicContact CD2-CB 3.87Å; L151-F164 HydrophobicContact CD2-CD2 4.32Å; L151-F164 HydrophobicContact CD2-CG 4.18Å; L151-R180 HydrophobicContact CD1-CG 4.19Å; L151-R180 VanDerWaalsContact CD1-CZ 3.45Å; L151-R180 HydrophobicContact CD2-CB 4.49Å; L151-R180 HydrophobicContact CD2-CG 3.78Å; L151-L184 HydrophobicContact CD1-CD1 3.51Å; L151-L184 HydrophobicContact CD1-CD2 3.69Å; L151-L184 HydrophobicContact CD1-CG 3.68Å; L151-L184 HydrophobicContact CG-CD2 4.17Å; L151-L184 HydrophobicContact CG-CG 4.36Å
152V80.4Confident80.5Confident62 Ų6260 Ų6038%0.37629%0.288SS..SBendtrans-126.9136.5-175.9-179.90000107.3E149 Y157E149-V152 WeakPolarHBondContact CA-O 3.16Å; V152-Y157 HydrophobicContact CG1-CD1 3.38Å; V152-Y157 HydrophobicContact CG1-CE1 3.78Å; V152-Y157 HydrophobicContact CG1-CG 4.28Å
153N83.8Confident81.7Confident12 Ų1259.2 Ų59.26%0.06428%0.283CS..  trans-84.3140.7174.4-177.8-77.1000109.4E149 Q155 D156 H161 T162E149-N153 PolarHBondContact OE1-ND2 3.07Å; E149-N153 VanDerWaalsContact OE1-ND2 3.14Å; N153-Q155 PolarHBondContact OD1-N 3.16Å; N153-D156 WeakPolarHBondContact CB-O 3.46Å; N153-D156 PolarHBondContact OD1-N 3.42Å; N153-D156 VanDerWaalsContact OD1-N 3.08Å; N153-H161 PolarHBondContact ND2-O 3.5Å; N153-H161 VanDerWaalsContact ND2-O 3.07Å; N153-T162 HydrophobicContact CB-CG2 4.02Å
154N77.3Confident82.7Confident56 Ų5659.4 Ų59.430%0.29928%0.28SS..SBendtrans-77.3-21.7-172.8-68.6-29.3000113.3Q146 E149Q146-N154 PolarHBondContact O-ND2 3.32Å; Q146-N154 PolarHBondContact O-OD1 2.98Å; E149-N154 PolarHBondContact OE1-N 3.21Å
155Q74.4Confident83.2Confident186 Ų18659.9 Ų59.987%0.86928%0.284SS*.SBendtrans-94.2-43.3179.5-64-176.5-8.700112.4N153N153-Q155 PolarHBondContact OD1-N 3.16Å
156D75.8Confident83.7Confident82 Ų8259.5 Ų59.544%0.43928%0.281SS..  trans-132.7105.1178.5-179.911.3000111.7N153 R158 S159N153-D156 WeakPolarHBondContact CB-O 3.46Å; N153-D156 PolarHBondContact OD1-N 3.42Å; N153-D156 VanDerWaalsContact OD1-N 3.08Å; D156-R158 PolarHBondContact O-N 3.48Å; D156-R158 PolarHBondContact OD1-N 2.95Å; D156-S159 VanDerWaalsContact O-CB 3.29Å; D156-S159 WeakPolarHBondContact O-CB 3.44Å; D156-S159 PolarHBondContact O-N 2.75Å
157Y72.4Confident84.4Confident187 Ų18754.5 Ų54.573%0.73326%0.257SS*.THydrogen-bonded Turntrans-57.2-19.4177.6-69.2-90.1000114.6V152V152-Y157 HydrophobicContact CG1-CD1 3.38Å; V152-Y157 HydrophobicContact CG1-CE1 3.78Å; V152-Y157 HydrophobicContact CG1-CG 4.28Å
158R70.3Confident84.9Confident225 Ų22556 Ų5685%0.84927%0.266SS*.THydrogen-bonded Turntrans-94.5-8.8178.3-65.6-173.7177.1-172.40.9113.5D156D156-R158 PolarHBondContact O-N 3.48Å; D156-R158 PolarHBondContact OD1-N 2.95Å
159S78.1Confident85.2Confident23 Ų2359.4 Ų59.416%0.16128%0.279CS..  trans-73.2140.9-177.7-177.40000111.9D156 H161D156-S159 VanDerWaalsContact O-CB 3.29Å; D156-S159 WeakPolarHBondContact O-CB 3.44Å; D156-S159 PolarHBondContact O-N 2.75Å; S159-H161 PolarHBondContact O-N 3.29Å; S159-H161 WeakPolarHBondContact OG-CB 3.45Å; S159-H161 PolarHBondContact OG-CD2 3.38Å; S159-H161 PolarHBondContact OG-N 2.85Å
160N80.1Confident85.4Confident120 Ų12059.3 Ų59.364%0.64228%0.28SS*.  trans-86.214.6172.1-67.4-32.2000112.3T162 G165N160-T162 VanDerWaalsContact C-N 3.26Å; N160-T162 PolarHBondContact O-N 3.02Å; N160-T162 VanDerWaalsContact O-N 3.11Å; N160-G165 WeakPolarHBondContact O-CA 3.34Å
161H88.6Confident85.6Confident68 Ų6864.1 Ų64.132%0.31530%0.301SS..  trans-84.268.8176.1-59.3-40.9000110.7N153 S159 I481 I485N153-H161 PolarHBondContact ND2-O 3.5Å; N153-H161 VanDerWaalsContact ND2-O 3.07Å; S159-H161 PolarHBondContact O-N 3.29Å; S159-H161 WeakPolarHBondContact OG-CB 3.45Å; S159-H161 PolarHBondContact OG-CD2 3.38Å; S159-H161 PolarHBondContact OG-N 2.85Å; H161-I481 HydrophobicContact CB-CG2 4.26Å; H161-I485 HydrophobicContact CB-CD1 4Å; H161-I485 HydrophobicContact CB-CG1 4Å
162T92.3Very high85.8Confident4 Ų463.2 Ų63.23%0.02530%0.296CS..SBendtrans-139.9164179.559.50000109.4E149 N153 N160 F164 G165 V166E149-T162 VanDerWaalsContact O-CA 3.26Å; E149-T162 WeakPolarHBondContact O-CA 3.35Å; E149-T162 WeakPolarHBondContact O-CB 3.47Å; N153-T162 HydrophobicContact CB-CG2 4.02Å; N160-T162 VanDerWaalsContact C-N 3.26Å; N160-T162 PolarHBondContact O-N 3.02Å; N160-T162 VanDerWaalsContact O-N 3.11Å; T162-F164 PolarHBondContact O-N 3.48Å; T162-G165 PolarHBondContact O-N 3Å; T162-G165 PolarHBondContact OG1-N 3.16Å; T162-G165 VanDerWaalsContact OG1-N 3.07Å; T162-V166 WeakPolarHBondContact O-CG2 3.4Å; T162-V166 PolarHBondContact O-N 3.49Å
163L93.3Very high85.8Confident0 Ų062.4 Ų62.40%030%0.296CS..Hα-helixtrans-58.4-42176-17762.9000111.2E149 L150 G165 V166 L167 I183 P480 I481 L523 I526 M527E149-L163 PolarHBondContact O-N 2.98Å; E149-L163 VanDerWaalsContact O-N 3.09Å; L150-L163 HydrophobicContact CD2-CB 4.28Å; L150-L163 HydrophobicContact CD2-CD2 3.82Å; L163-G165 VanDerWaalsContact C-N 3.33Å; L163-G165 PolarHBondContact O-N 3.4Å; L163-V166 PolarHBondContact O-N 3.28Å; L163-V166 VanDerWaalsContact O-N 3.17Å; L163-L167 HydrophobicContact CD1-CD1 4.13Å; L163-L167 HydrophobicContact CD1-CG 4.45Å; L163-L167 HydrophobicContact CG-CD1 4.16Å; L163-L167 PolarHBondContact O-N 3.28Å; L163-L167 VanDerWaalsContact O-N 3.08Å; L163-I183 HydrophobicContact CD2-CG2 4.12Å; L163-P480 HydrophobicContact CD1-CG 4.34Å; L163-I481 HydrophobicContact CB-CD1 4.48Å; L163-L523 HydrophobicContact CB-CD2 4Å; L163-L523 HydrophobicContact CD1-CD2 4.24Å; L163-L523 HydrophobicContact CD2-CD2 3.83Å; L163-L523 HydrophobicContact CG-CD2 4.22Å; L163-I526 HydrophobicContact CD2-CB 4.44Å; L163-I526 HydrophobicContact CD2-CG2 3.84Å; L163-M527 HydrophobicContact CD1-CG 3.9Å; L163-M527 HydrophobicContact CD1-SD 3.96Å
164F93Very high85.5Confident37 Ų3762 Ų6216%0.16230%0.295CS..Hα-helixtrans-56.7-46.3172.6178.3-104.5000111.9L150 L151 T162 V166 L167 N168 S176 L179 R180 I183L150-F164 VanDerWaalsContact O-CB 3.31Å; L150-F164 WeakPolarHBondContact O-CB 3.22Å; L150-F164 PolarHBondContact O-N 2.81Å; L151-F164 HydrophobicContact CD2-CB 3.87Å; L151-F164 HydrophobicContact CD2-CD2 4.32Å; L151-F164 HydrophobicContact CD2-CG 4.18Å; T162-F164 PolarHBondContact O-N 3.48Å; F164-V166 VanDerWaalsContact C-N 3.3Å; F164-V166 PolarHBondContact O-N 3.17Å; F164-L167 PolarHBondContact O-N 2.97Å; F164-N168 HydrophobicContact CD1-CB 4.48Å; F164-N168 HydrophobicContact CD2-CB 4.46Å; F164-N168 HydrophobicContact CE1-CB 4.35Å; F164-N168 WeakPolarHBondContact CE1-ND2 3.26Å; F164-N168 HydrophobicContact CE2-CB 4.31Å; F164-N168 HydrophobicContact CZ-CB 4.29Å; F164-N168 WeakPolarHBondContact CZ-ND2 3.49Å; F164-N168 WeakPolarHBondContact O-CB 3.47Å; F164-N168 PolarHBondContact O-N 3.48Å; F164-S176 WeakPolarHBondContact CE2-O 3.37Å; F164-S176 WeakPolarHBondContact CZ-OG 3.47Å; F164-L179 HydrophobicContact CD2-CD2 4.2Å; F164-L179 HydrophobicContact CD2-CG 4.13Å; F164-L179 HydrophobicContact CE2-CB 4.37Å; F164-L179 HydrophobicContact CE2-CD2 4.18Å; F164-L179 HydrophobicContact CE2-CG 4.19Å; F164-R180 HydrophobicContact CD2-CB 4.19Å; F164-R180 HydrophobicContact CE2-CB 3.79Å; F164-I183 HydrophobicContact CB-CD1 4.02Å; F164-I183 HydrophobicContact CD2-CD1 4.07Å
165G91Very high85.9Confident9 Ų959.3 Ų59.39%0.09328%0.281CS..Hα-helixtrans-64.7-30.5177.200000113.9N160 T162 L163 K484N160-G165 WeakPolarHBondContact O-CA 3.34Å; T162-G165 PolarHBondContact O-N 3Å; T162-G165 PolarHBondContact OG1-N 3.16Å; T162-G165 VanDerWaalsContact OG1-N 3.07Å; L163-G165 VanDerWaalsContact C-N 3.33Å; L163-G165 PolarHBondContact O-N 3.4Å; G165-K484 PolarHBondContact O-NZ 3.2Å
166V92.9Very high86.5Confident6 Ų652 Ų524%0.03625%0.25CC..Hα-helixtrans-68.9-41.6174.8173.30000111.2T162 L163 F164 Y169 P480 I481 K484T162-V166 WeakPolarHBondContact O-CG2 3.4Å; T162-V166 PolarHBondContact O-N 3.49Å; L163-V166 PolarHBondContact O-N 3.28Å; L163-V166 VanDerWaalsContact O-N 3.17Å; F164-V166 VanDerWaalsContact C-N 3.3Å; F164-V166 PolarHBondContact O-N 3.17Å; V166-Y169 VanDerWaalsContact O-CE2 3.23Å; V166-Y169 WeakPolarHBondContact O-CE2 3.13Å; V166-P480 HydrophobicContact CG1-CB 4.24Å; V166-I481 HydrophobicContact CG2-CB 4.43Å; V166-I481 HydrophobicContact CG2-CG1 4.15Å; V166-K484 HydrophobicContact CG2-CB 4.36Å; V166-K484 HydrophobicContact CG2-CD 4.05Å
167L95.2Very high86.7Confident0 Ų051.4 Ų51.40%024%0.241CC..Hα-helixtrans-90.9-17.4-174.1-69.1174.7000114.5L163 F164 Y169 L179 I183 S453 F454 A457 M527 I530L163-L167 HydrophobicContact CD1-CD1 4.13Å; L163-L167 HydrophobicContact CD1-CG 4.45Å; L163-L167 HydrophobicContact CG-CD1 4.16Å; L163-L167 PolarHBondContact O-N 3.28Å; L163-L167 VanDerWaalsContact O-N 3.08Å; F164-L167 PolarHBondContact O-N 2.97Å; L167-Y169 PolarHBondContact O-N 3.42Å; L167-L179 HydrophobicContact CB-CD1 4.36Å; L167-L179 HydrophobicContact CB-CD2 4.19Å; L167-I183 HydrophobicContact CD1-CD1 4.3Å; L167-S453 PolarHBondContact O-OG 3.47Å; L167-F454 HydrophobicContact CB-CE1 4.49Å; L167-F454 HydrophobicContact CD1-CE1 4.25Å; L167-F454 HydrophobicContact CD2-CD1 4.31Å; L167-A457 HydrophobicContact CD2-CB 4.41Å; L167-M527 HydrophobicContact CD1-CG 4.26Å; L167-M527 HydrophobicContact CD2-CE 3.83Å; L167-I530 HydrophobicContact CD1-CD1 3.65Å
168N94Very high87.2Confident43 Ų4346.7 Ų46.723%0.2322%0.222CC..  trans-87.690.7-169.6-170.69.5000113.7F164 T170 S176 L179F164-N168 HydrophobicContact CD1-CB 4.48Å; F164-N168 HydrophobicContact CD2-CB 4.46Å; F164-N168 HydrophobicContact CE1-CB 4.35Å; F164-N168 WeakPolarHBondContact CE1-ND2 3.26Å; F164-N168 HydrophobicContact CE2-CB 4.31Å; F164-N168 HydrophobicContact CZ-CB 4.29Å; F164-N168 WeakPolarHBondContact CZ-ND2 3.49Å; F164-N168 WeakPolarHBondContact O-CB 3.47Å; F164-N168 PolarHBondContact O-N 3.48Å; N168-T170 WeakPolarHBondContact OD1-CB 3.43Å; N168-T170 PolarHBondContact OD1-N 2.84Å; N168-T170 PolarHBondContact OD1-OG1 3.28Å; N168-S176 PolarHBondContact ND2-OG 3.44Å; N168-L179 HydrophobicContact CB-CD2 3.68Å
169Y94.6Very high88.1Confident72 Ų7236 Ų3628%0.28218%0.182SC..  trans-109.413.2167.3-62.9-80.3000112.5V166 L167 S453 H456 A457 L460V166-Y169 VanDerWaalsContact O-CE2 3.23Å; V166-Y169 WeakPolarHBondContact O-CE2 3.13Å; L167-Y169 PolarHBondContact O-N 3.42Å; Y169-S453 WeakPolarHBondContact CA-OG 3.42Å; Y169-S453 PolarHBondContact N-OG 3.37Å; Y169-H456 AromaticContact CD1-CE1 3.48Å; Y169-H456 VanDerWaalsContact CD1-CE1 3.48Å; Y169-H456 WeakPolarHBondContact CD1-CE1 3.47Å; Y169-H456 AromaticContact CD1-ND1 3.34Å; Y169-H456 VanDerWaalsContact CD1-ND1 3.34Å; Y169-H456 WeakPolarHBondContact CD1-ND1 3.45Å; Y169-H456 AromaticContact CD2-ND1 3.71Å; Y169-H456 AromaticContact CE1-CE1 3.86Å; Y169-H456 AromaticContact CE1-ND1 3.81Å; Y169-H456 HydrophobicContact CG-CB 4.4Å; Y169-H456 AromaticContact CG-CE1 3.9Å; Y169-H456 AromaticContact CG-ND1 3.28Å; Y169-H456 VanDerWaalsContact CG-ND1 3.28Å; Y169-A457 HydrophobicContact CD2-CB 4.18Å; Y169-A457 HydrophobicContact CE2-CB 3.99Å; Y169-L460 HydrophobicContact CE1-CD1 3.62Å; Y169-L460 HydrophobicContact CE2-CD1 4.04Å; Y169-L460 WeakPolarHBondContact OH-CD1 3.42Å
170T93.8Very high88.4Confident22 Ų2238.5 Ų38.514%0.13519%0.188CC..  trans-58.7145.5-178.964.40000111.5N168 S176 L179 D449 S453N168-T170 WeakPolarHBondContact OD1-CB 3.43Å; N168-T170 PolarHBondContact OD1-N 2.84Å; N168-T170 PolarHBondContact OD1-OG1 3.28Å; T170-S176 WeakPolarHBondContact OG1-CA 3.44Å; T170-S176 WeakPolarHBondContact OG1-CB 3.45Å; T170-S176 PolarHBondContact OG1-N 3.06Å; T170-L179 HydrophobicContact CG2-CD2 4.43Å; T170-D449 WeakPolarHBondContact CA-OD1 3.25Å; T170-D449 WeakPolarHBondContact CB-OD2 3.37Å; T170-S453 PolarHBondContact N-OG 2.87Å
171K92.3Very high88.5Confident102 Ų10234.8 Ų34.844%0.44317%0.171SC..SBendtrans-98.2-20.3-179.4-56.1-55.2-178.9-168.40112.8I217 D449K171-I217 HydrophobicContact CB-CG2 4.48Å; K171-D449 PolarHBondContact N-OD1 3.33Å; K171-D449 PolarHBondContact N-OD2 2.82Å; K171-D449 VanDerWaalsContact N-OD2 3.16Å
172T87.7Confident88.4Confident11 Ų1131.9 Ų31.97%0.06716%0.158CC..SBendtrans-111.4150.1-178.974.60000111G174 G175 S176 I217 F220 V445 D449T172-G174 VanDerWaalsContact C-N 3.27Å; T172-G174 PolarHBondContact O-N 3.16Å; T172-G175 PolarHBondContact O-N 2.92Å; T172-G175 PolarHBondContact OG1-N 3.32Å; T172-S176 PolarHBondContact O-N 2.98Å; T172-S176 VanDerWaalsContact O-N 3.15Å; T172-I217 HydrophobicContact CG2-CG2 3.82Å; T172-F220 HydrophobicContact CG2-CB 4.19Å; T172-V445 HydrophobicContact CG2-CG1 4.31Å; T172-D449 WeakPolarHBondContact CA-OD2 3.24Å; T172-D449 VanDerWaalsContact CB-OD2 3.3Å; T172-D449 WeakPolarHBondContact CB-OD2 3.49Å; T172-D449 PolarHBondContact N-OD2 2.84Å; T172-D449 PolarHBondContact OG1-OD2 2.91Å
173A82Confident88.2Confident45 Ų4531.7 Ų31.737%0.37216%0.157SC..Hα-helixtrans-66.3-31175.300000112.3S176 R177 D222A173-S176 PolarHBondContact O-N 3.48Å; A173-R177 WeakPolarHBondContact O-CG 3.11Å; A173-R177 PolarHBondContact O-N 3.36Å; A173-D222 HydrophobicContact CB-CB 4.35Å; A173-D222 VanDerWaalsContact CB-OD2 3.29Å; A173-D222 WeakPolarHBondContact CB-OD2 3.48Å
174G77.5Confident87.7Confident4 Ų432.2 Ų32.24%0.04116%0.16CC..Hα-helixtrans-63.9-45.8173.700000112.5T172 S176 R177 R178T172-G174 VanDerWaalsContact C-N 3.27Å; T172-G174 PolarHBondContact O-N 3.16Å; G174-S176 PolarHBondContact O-N 3.33Å; G174-R177 PolarHBondContact O-N 2.84Å; G174-R178 WeakPolarHBondContact O-CB 3.41Å; G174-R178 PolarHBondContact O-N 3.26Å
175G84.9Confident87.1Confident0 Ų031.3 Ų31.30%016%0.156CC..Hα-helixtrans-59.9-44.8174.400000112.5T172 R177 R178 L179T172-G175 PolarHBondContact O-N 2.92Å; T172-G175 PolarHBondContact OG1-N 3.32Å; G175-R177 PolarHBondContact O-N 3.21Å; G175-R178 WeakPolarHBondContact O-CB 3.38Å; G175-R178 PolarHBondContact O-N 3.36Å; G175-L179 WeakPolarHBondContact O-CB 3.33Å; G175-L179 PolarHBondContact O-N 3.09Å
176S86.4Confident87.1Confident31 Ų3130.9 Ų30.922%0.21715%0.152CC..Hα-helixtrans-59.2-44.3175.7-172.70000112.6F164 N168 T170 T172 A173 G174 L179 R180F164-S176 WeakPolarHBondContact CE2-O 3.37Å; F164-S176 WeakPolarHBondContact CZ-OG 3.47Å; N168-S176 PolarHBondContact ND2-OG 3.44Å; T170-S176 WeakPolarHBondContact OG1-CA 3.44Å; T170-S176 WeakPolarHBondContact OG1-CB 3.45Å; T170-S176 PolarHBondContact OG1-N 3.06Å; T172-S176 PolarHBondContact O-N 2.98Å; T172-S176 VanDerWaalsContact O-N 3.15Å; A173-S176 PolarHBondContact O-N 3.48Å; G174-S176 PolarHBondContact O-N 3.33Å; S176-L179 PolarHBondContact O-N 3.42Å; S176-R180 PolarHBondContact O-N 2.9Å
177R80.6Confident87Confident70 Ų7031.8 Ų31.826%0.26416%0.156SC..Hα-helixtrans-63.7-43.3174.4-74.7-173.3-65.6-92.85.9112A173 G174 G175 R180 S181 D222 E224A173-R177 WeakPolarHBondContact O-CG 3.11Å; A173-R177 PolarHBondContact O-N 3.36Å; G174-R177 PolarHBondContact O-N 2.84Å; G175-R177 PolarHBondContact O-N 3.21Å; R177-R180 WeakPolarHBondContact O-CB 3.24Å; R177-R180 PolarHBondContact O-N 3.4Å; R177-S181 PolarHBondContact O-N 2.98Å; R177-D222 IonicContact CZ-OD1 3.93Å; R177-D222 IonicContact CZ-OD2 3.47Å; R177-D222 IonicContact NH1-OD1 3Å; R177-D222 IonicContact NH1-OD2 3.32Å; R177-D222 PolarHBondContact NH1-OD2 3.37Å; R177-D222 VanDerWaalsContact NH2-CG 3.33Å; R177-D222 IonicContact NH2-OD1 3.31Å; R177-D222 PolarHBondContact NH2-OD1 2.95Å; R177-D222 IonicContact NH2-OD2 3.51Å; R177-D222 PolarHBondContact NH2-OD2 2.75Å; R177-D222 VanDerWaalsContact NH2-OD2 3.1Å; R177-E224 IonicContact CZ-OE2 3.11Å; R177-E224 VanDerWaalsContact CZ-OE2 3.23Å; R177-E224 IonicContact NE-OE2 3.41Å; R177-E224 PolarHBondContact NE-OE2 3.45Å; R177-E224 IonicContact NH2-OE2 3.52Å; R177-E224 PolarHBondContact NH2-OE2 2.94Å
178R83.7Confident86.7Confident88 Ų8833.8 Ų33.833%0.33217%0.168SC..Hα-helixtrans-60.1-47.6177.7-170.174.6-176-173.25.5111.1G174 G175 R180 S181 N182 M450G174-R178 WeakPolarHBondContact O-CB 3.41Å; G174-R178 PolarHBondContact O-N 3.26Å; G175-R178 WeakPolarHBondContact O-CB 3.38Å; G175-R178 PolarHBondContact O-N 3.36Å; R178-R180 PolarHBondContact O-N 3.05Å; R178-S181 PolarHBondContact O-N 3.46Å; R178-N182 PolarHBondContact O-N 2.96Å; R178-N182 PolarHBondContact O-ND2 2.91Å; R178-M450 HydrophobicContact CB-SD 4.48Å; R178-M450 HydrophobicContact CG-SD 3.9Å
179L87.8Confident86.5Confident0 Ų033.8 Ų33.80%017%0.168CC..Hα-helixtrans-58.2-48.2176.6176.458.5000111.5F164 L167 N168 T170 G175 S176 S181 N182 I183 M450 F454F164-L179 HydrophobicContact CD2-CD2 4.2Å; F164-L179 HydrophobicContact CD2-CG 4.13Å; F164-L179 HydrophobicContact CE2-CB 4.37Å; F164-L179 HydrophobicContact CE2-CD2 4.18Å; F164-L179 HydrophobicContact CE2-CG 4.19Å; L167-L179 HydrophobicContact CB-CD1 4.36Å; L167-L179 HydrophobicContact CB-CD2 4.19Å; N168-L179 HydrophobicContact CB-CD2 3.68Å; T170-L179 HydrophobicContact CG2-CD2 4.43Å; G175-L179 WeakPolarHBondContact O-CB 3.33Å; G175-L179 PolarHBondContact O-N 3.09Å; S176-L179 PolarHBondContact O-N 3.42Å; L179-S181 VanDerWaalsContact C-N 3.33Å; L179-S181 PolarHBondContact O-N 2.91Å; L179-N182 PolarHBondContact O-N 3.17Å; L179-I183 HydrophobicContact CD1-CD1 3.95Å; L179-I183 HydrophobicContact CD1-CG1 4.17Å; L179-I183 HydrophobicContact CG-CD1 4.04Å; L179-I183 WeakPolarHBondContact O-CG1 3.31Å; L179-I183 PolarHBondContact O-N 3.1Å; L179-M450 HydrophobicContact CB-CG 4.09Å; L179-M450 HydrophobicContact CB-SD 4.44Å; L179-M450 HydrophobicContact CD1-CG 4.18Å; L179-F454 HydrophobicContact CD1-CE1 3.44Å; L179-F454 VanDerWaalsContact CD1-CE1 3.44Å; L179-F454 HydrophobicContact CD1-CZ 3.81Å
180R85.6Confident86.4Confident76 Ų7633.1 Ų33.129%0.28717%0.172SC..Hα-helixtrans-55.4-47.5177.4176.3-179.4173.293.52.5111.9L151 F164 S176 R177 R178 I183 L184L151-R180 HydrophobicContact CD1-CG 4.19Å; L151-R180 VanDerWaalsContact CD1-CZ 3.45Å; L151-R180 HydrophobicContact CD2-CB 4.49Å; L151-R180 HydrophobicContact CD2-CG 3.78Å; F164-R180 HydrophobicContact CD2-CB 4.19Å; F164-R180 HydrophobicContact CE2-CB 3.79Å; S176-R180 PolarHBondContact O-N 2.9Å; R177-R180 WeakPolarHBondContact O-CB 3.24Å; R177-R180 PolarHBondContact O-N 3.4Å; R178-R180 PolarHBondContact O-N 3.05Å; R180-I183 PolarHBondContact O-N 2.97Å; R180-L184 PolarHBondContact O-N 3.38Å
181S80.8Confident86.3Confident42 Ų4239.2 Ų39.229%0.29420%0.198SC..Hα-helixtrans-62.8-44.2178.1163.20000111.6R177 R178 L179 I183 L184 E185R177-S181 PolarHBondContact O-N 2.98Å; R178-S181 PolarHBondContact O-N 3.46Å; L179-S181 VanDerWaalsContact C-N 3.33Å; L179-S181 PolarHBondContact O-N 2.91Å; S181-I183 VanDerWaalsContact C-N 3.34Å; S181-I183 PolarHBondContact O-N 3.44Å; S181-L184 PolarHBondContact O-N 3.12Å; S181-E185 PolarHBondContact O-N 2.99Å
182N86.5Confident86.2Confident8 Ų836.6 Ų36.64%0.04319%0.191CC..Hα-helixtrans-66.8-33.5-179.4-78.3-100.4000112.4R178 L179 L184 E185 P186 R196 M450 I530R178-N182 PolarHBondContact O-N 2.96Å; R178-N182 PolarHBondContact O-ND2 2.91Å; L179-N182 PolarHBondContact O-N 3.17Å; N182-L184 VanDerWaalsContact C-N 3.34Å; N182-L184 PolarHBondContact O-N 2.96Å; N182-E185 CarbonylContact O-C 3.41Å; N182-E185 VanDerWaalsContact O-C 3.25Å; N182-P186 WeakPolarHBondContact O-CA 3.27Å; N182-R196 VanDerWaalsContact OD1-CZ 3.27Å; N182-R196 PolarHBondContact OD1-NH1 2.88Å; N182-R196 PolarHBondContact OD1-NH2 3.47Å; N182-M450 HydrophobicContact CB-SD 4.22Å; N182-I530 HydrophobicContact CB-CB 4.46Å; N182-I530 HydrophobicContact CB-CG2 4.22Å; N182-I530 WeakPolarHBondContact O-CG2 3.31Å
183I88.3Confident86.6Confident0 Ų036 Ų360%019%0.188CC..Hα-helixtrans-64.5-38.1175.2-72.4172.2000112L150 L163 F164 L167 L179 R180 S181 I530L150-I183 HydrophobicContact CB-CG2 3.88Å; L150-I183 HydrophobicContact CD1-CG2 4.27Å; L150-I183 HydrophobicContact CD2-CG2 4.36Å; L150-I183 HydrophobicContact CG-CG2 4.39Å; L163-I183 HydrophobicContact CD2-CG2 4.12Å; F164-I183 HydrophobicContact CB-CD1 4.02Å; F164-I183 HydrophobicContact CD2-CD1 4.07Å; L167-I183 HydrophobicContact CD1-CD1 4.3Å; L179-I183 HydrophobicContact CD1-CD1 3.95Å; L179-I183 HydrophobicContact CD1-CG1 4.17Å; L179-I183 HydrophobicContact CG-CD1 4.04Å; L179-I183 WeakPolarHBondContact O-CG1 3.31Å; L179-I183 PolarHBondContact O-N 3.1Å; R180-I183 PolarHBondContact O-N 2.97Å; S181-I183 VanDerWaalsContact C-N 3.34Å; S181-I183 PolarHBondContact O-N 3.44Å; I183-I530 HydrophobicContact CG1-CD1 4.2Å
184L82.1Confident87.2Confident11 Ų1135.7 Ų35.76%0.05818%0.182CC..Hα-helixtrans-81.5-29.6179.4-71-178.6000113.4V31 A145 L150 L151 R180 S181 N182 P186V31-L184 HydrophobicContact CB-CD1 4.4Å; V31-L184 HydrophobicContact CG2-CB 3.91Å; V31-L184 HydrophobicContact CG2-CD1 4Å; A145-L184 HydrophobicContact CB-CD2 4.12Å; L150-L184 HydrophobicContact CD1-CD2 4.31Å; L151-L184 HydrophobicContact CD1-CD1 3.51Å; L151-L184 HydrophobicContact CD1-CD2 3.69Å; L151-L184 HydrophobicContact CD1-CG 3.68Å; L151-L184 HydrophobicContact CG-CD2 4.17Å; L151-L184 HydrophobicContact CG-CG 4.36Å; R180-L184 PolarHBondContact O-N 3.38Å; S181-L184 PolarHBondContact O-N 3.12Å; N182-L184 VanDerWaalsContact C-N 3.34Å; N182-L184 PolarHBondContact O-N 2.96Å; L184-P186 VanDerWaalsContact C-CD 3.47Å
185E82.1Confident88Confident18 Ų1838.7 Ų38.78%0.08420%0.196CC..SBendtrans-124.571.5178.8-64.9177.1152.500109.9K28 V31 T137 S181 N182K28-E185 IonicContact NZ-OE1 3.35Å; K28-E185 PolarHBondContact NZ-OE1 3.43Å; K28-E185 IonicContact NZ-OE2 3.83Å; V31-E185 HydrophobicContact CG1-CG 4.35Å; V31-E185 HydrophobicContact CG2-CG 3.7Å; V31-E185 WeakPolarHBondContact CG2-OE1 3.12Å; T137-E185 HydrophobicContact CG2-CB 4.05Å; S181-E185 PolarHBondContact O-N 2.99Å; N182-E185 CarbonylContact O-C 3.41Å; N182-E185 VanDerWaalsContact O-C 3.25Å
186P90.5Very high88.5Confident0 Ų039.1 Ų39.10%020%0.198CC..  trans-61.6154.3177.7-20.232.2000111.6T137 A138 I140 N182 L184 I526 Q529 I530T137-P186 CarbonylContact C-O 3.1Å; T137-P186 WeakPolarHBondContact CA-O 3.37Å; T137-P186 WeakPolarHBondContact CB-O 3.31Å; A138-P186 HydrophobicContact CB-CB 4.24Å; A138-P186 HydrophobicContact CB-CG 4.43Å; A138-P186 PolarHBondContact N-O 3Å; I140-P186 HydrophobicContact CD1-CG 3.85Å; N182-P186 WeakPolarHBondContact O-CA 3.27Å; L184-P186 VanDerWaalsContact C-CD 3.47Å; P186-I526 HydrophobicContact CG-CG1 4.37Å; P186-I526 HydrophobicContact CG-CG2 4.06Å; P186-Q529 HydrophobicContact CB-CB 3.61Å; P186-I530 HydrophobicContact CB-CG2 4.08Å; P186-I530 HydrophobicContact CG-CG2 4.37Å
187L90Very high89Confident25 Ų2537.8 Ų37.813%0.13119%0.188CC..BIsolated β-bridgetrans-77.9148.9-176.9-59.6173000111.7T192 I193 R196 Q529L187-T192 HydrophobicContact CD1-CG2 3.58Å; L187-I193 HydrophobicContact CB-CD1 4Å; L187-I193 HydrophobicContact CB-CG1 3.69Å; L187-I193 HydrophobicContact CD1-CG1 3.99Å; L187-I193 HydrophobicContact CG-CG1 4.48Å; L187-R196 VanDerWaalsContact CD1-CZ 3.47Å; L187-Q529 WeakPolarHBondContact CB-O 3.27Å; L187-Q529 PolarHBondContact N-O 3.23Å; L187-Q529 WeakPolarHBondContact O-CB 3.32Å; L187-Q529 PolarHBondContact O-NE2 2.95Å
188V89.9Confident89.7Confident41 Ų4137 Ų3725%0.24819%0.19CC..  trans-101.4-21.9169.8177.30000110.9Q136 A138 V190 I543Q136-V188 HydrophobicContact CB-CB 4.43Å; Q136-V188 VanDerWaalsContact O-CB 3.32Å; Q136-V188 WeakPolarHBondContact O-CB 3.47Å; Q136-V188 PolarHBondContact O-N 3.04Å; A138-V188 HydrophobicContact CB-CG2 4.34Å; V188-V190 PolarHBondContact O-N 3.13Å; V188-I543 HydrophobicContact CB-CG2 4.19Å; V188-I543 HydrophobicContact CG1-CG2 3.65Å; V188-I543 WeakPolarHBondContact O-CG2 3.49Å
189D89.9Confident90.3Very high44 Ų4432.9 Ų32.924%0.23517%0.174CC..  trans-77.3113.1179.8177.840.9000112.5E191 T192 I193D189-E191 VanDerWaalsContact C-N 3.32Å; D189-E191 PolarHBondContact O-N 3.08Å; D189-E191 PolarHBondContact OD1-N 3.19Å; D189-T192 PolarHBondContact O-N 2.99Å; D189-T192 WeakPolarHBondContact OD2-CB 3.44Å; D189-T192 PolarHBondContact OD2-N 2.92Å; D189-T192 PolarHBondContact OD2-OG1 3.12Å; D189-I193 WeakPolarHBondContact O-CD1 3.32Å; D189-I193 VanDerWaalsContact O-CG1 3.22Å; D189-I193 WeakPolarHBondContact O-CG1 3.46Å; D189-I193 PolarHBondContact O-N 3.4Å; D189-I193 VanDerWaalsContact O-N 3.12Å
190V91.5Very high90.7Very high58 Ų5832.9 Ų32.935%0.35217%0.174SC..Hα-helixtrans-65.2-35.3-177.4-178.40000111.8V188 I193 S194 F468 I543V188-V190 PolarHBondContact O-N 3.13Å; V190-I193 PolarHBondContact O-N 3.42Å; V190-S194 VanDerWaalsContact O-CB 3.31Å; V190-S194 WeakPolarHBondContact O-CB 3.43Å; V190-S194 PolarHBondContact O-N 2.94Å; V190-S194 PolarHBondContact O-OG 3.43Å; V190-F468 HydrophobicContact CG1-CB 4.03Å; V190-F468 HydrophobicContact CG1-CD2 4.38Å; V190-F468 HydrophobicContact CG1-CG 4.35Å; V190-I543 HydrophobicContact CG2-CD1 3.83Å; V190-I543 HydrophobicContact CG2-CG1 3.55Å
191E91.8Very high91.2Very high149 Ų14932.2 Ų32.270%0.69617%0.174SC*.Hα-helixtrans-65.5-48.1-179.3-66.1-176.4-176.600110.5D189 I193 S194 M195D189-E191 VanDerWaalsContact C-N 3.32Å; D189-E191 PolarHBondContact O-N 3.08Å; D189-E191 PolarHBondContact OD1-N 3.19Å; E191-I193 VanDerWaalsContact C-N 3.35Å; E191-I193 PolarHBondContact O-N 3.36Å; E191-S194 PolarHBondContact O-N 3.28Å; E191-M195 WeakPolarHBondContact O-CG 3.49Å; E191-M195 PolarHBondContact O-N 3.42Å
192T91.2Very high91.9Very high47 Ų4731.1 Ų31.129%0.28816%0.164SC..Hα-helixtrans-62-40.6175.7-59.50000112.5L187 D189 M195 R196L187-T192 HydrophobicContact CD1-CG2 3.58Å; D189-T192 PolarHBondContact O-N 2.99Å; D189-T192 WeakPolarHBondContact OD2-CB 3.44Å; D189-T192 PolarHBondContact OD2-N 2.92Å; D189-T192 PolarHBondContact OD2-OG1 3.12Å; T192-M195 PolarHBondContact O-N 3.46Å; T192-R196 PolarHBondContact O-N 3.19Å
193I94.6Very high92.3Very high0 Ų031 Ų310%016%0.163CC..Hα-helixtrans-63.6-44.9176.4-62.4160.9000110.5L187 D189 V190 E191 M195 R196 L197 F468 A528 Q529 I543L187-I193 HydrophobicContact CB-CD1 4Å; L187-I193 HydrophobicContact CB-CG1 3.69Å; L187-I193 HydrophobicContact CD1-CG1 3.99Å; L187-I193 HydrophobicContact CG-CG1 4.48Å; D189-I193 WeakPolarHBondContact O-CD1 3.32Å; D189-I193 VanDerWaalsContact O-CG1 3.22Å; D189-I193 WeakPolarHBondContact O-CG1 3.46Å; D189-I193 PolarHBondContact O-N 3.4Å; D189-I193 VanDerWaalsContact O-N 3.12Å; V190-I193 PolarHBondContact O-N 3.42Å; E191-I193 VanDerWaalsContact C-N 3.35Å; E191-I193 PolarHBondContact O-N 3.36Å; I193-M195 VanDerWaalsContact C-N 3.34Å; I193-M195 PolarHBondContact O-N 2.83Å; I193-R196 WeakPolarHBondContact O-CB 3.32Å; I193-R196 PolarHBondContact O-N 3.41Å; I193-R196 VanDerWaalsContact O-N 3.1Å; I193-L197 HydrophobicContact CG2-CD1 4.1Å; I193-L197 HydrophobicContact CG2-CG 4.39Å; I193-L197 WeakPolarHBondContact O-CG 3.2Å; I193-L197 PolarHBondContact O-N 3.18Å; I193-F468 HydrophobicContact CB-CE2 4.21Å; I193-F468 HydrophobicContact CB-CZ 4.45Å; I193-F468 HydrophobicContact CD1-CE1 4.42Å; I193-F468 HydrophobicContact CD1-CZ 4.17Å; I193-F468 HydrophobicContact CG2-CD2 4.41Å; I193-F468 HydrophobicContact CG2-CE2 3.37Å; I193-F468 HydrophobicContact CG2-CZ 3.55Å; I193-A528 WeakPolarHBondContact CG2-O 3.28Å; I193-Q529 HydrophobicContact CD1-CB 4.48Å; I193-Q529 HydrophobicContact CD1-CG 4.39Å; I193-I543 HydrophobicContact CD1-CD1 3.78Å
194S94.6Very high92.6Very high37 Ų3733.7 Ų33.726%0.25918%0.178SC..Hα-helixtrans-62-42.4-179.8-60.10000111.5V190 E191 R196 L197 D198V190-S194 VanDerWaalsContact O-CB 3.31Å; V190-S194 WeakPolarHBondContact O-CB 3.43Å; V190-S194 PolarHBondContact O-N 2.94Å; V190-S194 PolarHBondContact O-OG 3.43Å; E191-S194 PolarHBondContact O-N 3.28Å; S194-R196 VanDerWaalsContact C-N 3.26Å; S194-R196 PolarHBondContact O-N 3.41Å; S194-L197 PolarHBondContact O-N 3.35Å; S194-L197 VanDerWaalsContact O-N 3.15Å; S194-D198 VanDerWaalsContact O-CG 3.23Å; S194-D198 PolarHBondContact O-N 2.79Å
195M94.6Very high93.2Very high68 Ų6840.1 Ų40.134%0.33521%0.207SC..Hα-helixtrans-58.4-36.8174-73.6-170.4-73.700112.7E191 T192 I193 C199 L273E191-M195 WeakPolarHBondContact O-CG 3.49Å; E191-M195 PolarHBondContact O-N 3.42Å; T192-M195 PolarHBondContact O-N 3.46Å; I193-M195 VanDerWaalsContact C-N 3.34Å; I193-M195 PolarHBondContact O-N 2.83Å; M195-C199 PolarHBondContact O-N 3.06Å; M195-C199 PolarHBondContact O-SG 2.7Å; M195-L273 HydrophobicContact CB-CB 4.48Å
196R95.4Very high93.7Very high9 Ų942.2 Ų42.23%0.03422%0.219CC..Hα-helixtrans-69.6-44.3174.9-68.3-179.6-179-172.61.9111.8N182 L187 T192 I193 S194 D198 C199 V200 L451 I530N182-R196 VanDerWaalsContact OD1-CZ 3.27Å; N182-R196 PolarHBondContact OD1-NH1 2.88Å; N182-R196 PolarHBondContact OD1-NH2 3.47Å; L187-R196 VanDerWaalsContact CD1-CZ 3.47Å; T192-R196 PolarHBondContact O-N 3.19Å; I193-R196 WeakPolarHBondContact O-CB 3.32Å; I193-R196 PolarHBondContact O-N 3.41Å; I193-R196 VanDerWaalsContact O-N 3.1Å; S194-R196 VanDerWaalsContact C-N 3.26Å; S194-R196 PolarHBondContact O-N 3.41Å; R196-D198 VanDerWaalsContact C-N 3.28Å; R196-D198 PolarHBondContact O-N 2.85Å; R196-C199 WeakPolarHBondContact O-CB 3.28Å; R196-C199 PolarHBondContact O-N 3.46Å; R196-V200 WeakPolarHBondContact O-CG2 3.47Å; R196-V200 PolarHBondContact O-N 3.45Å; R196-L451 HydrophobicContact CB-CD2 4Å; R196-L451 HydrophobicContact CG-CD2 4.16Å; R196-I530 WeakPolarHBondContact CD-O 3.25Å; R196-I530 PolarHBondContact NH1-O 2.94Å
197L96.6Very high93.8Very high2 Ų249 Ų491%0.0125%0.251CS..Hα-helixtrans-61.9-37.1178.2-70.3173.4000112I193 S194 V200 Q201 P466 F468 Y533I193-L197 HydrophobicContact CG2-CD1 4.1Å; I193-L197 HydrophobicContact CG2-CG 4.39Å; I193-L197 WeakPolarHBondContact O-CG 3.2Å; I193-L197 PolarHBondContact O-N 3.18Å; S194-L197 PolarHBondContact O-N 3.35Å; S194-L197 VanDerWaalsContact O-N 3.15Å; L197-V200 PolarHBondContact O-N 2.97Å; L197-Q201 WeakPolarHBondContact O-CB 3.23Å; L197-Q201 PolarHBondContact O-N 2.95Å; L197-P466 HydrophobicContact CD1-CG 4.01Å; L197-P466 HydrophobicContact CD2-CG 4.1Å; L197-F468 HydrophobicContact CD1-CE2 3.95Å; L197-Y533 HydrophobicContact CD2-CD1 3.82Å; L197-Y533 HydrophobicContact CD2-CE1 3.99Å
198D96.5Very high93.9Very high55 Ų5555.9 Ų55.929%0.29428%0.282SS..Hα-helixtrans-62.9-44.6174-68.1-25.7000111.4S194 R196 Q201 E202 T271 R465S194-D198 VanDerWaalsContact O-CG 3.23Å; S194-D198 PolarHBondContact O-N 2.79Å; R196-D198 VanDerWaalsContact C-N 3.28Å; R196-D198 PolarHBondContact O-N 2.85Å; D198-Q201 WeakPolarHBondContact O-CB 3.39Å; D198-Q201 PolarHBondContact O-N 3.23Å; D198-E202 PolarHBondContact O-N 3.23Å; D198-T271 HydrophobicContact CB-CG2 3.94Å; D198-R465 IonicContact OD1-CZ 3.67Å; D198-R465 IonicContact OD1-NH1 3.19Å; D198-R465 PolarHBondContact OD1-NH1 3.4Å; D198-R465 IonicContact OD1-NH2 3.48Å; D198-R465 PolarHBondContact OD1-NH2 2.95Å
199C96Very high94.1Very high0 Ų054.2 Ų54.20%027%0.272CS..Hα-helixtrans-62.4-44.5175-68.20000112.4M195 R196 Q201 E202 L203 L274 L451M195-C199 PolarHBondContact O-N 3.06Å; M195-C199 PolarHBondContact O-SG 2.7Å; R196-C199 WeakPolarHBondContact O-CB 3.28Å; R196-C199 PolarHBondContact O-N 3.46Å; C199-Q201 VanDerWaalsContact C-N 3.26Å; C199-Q201 PolarHBondContact O-N 3.37Å; C199-E202 PolarHBondContact O-N 3.18Å; C199-L203 WeakPolarHBondContact O-CB 3.24Å; C199-L203 VanDerWaalsContact O-CG 3.24Å; C199-L203 WeakPolarHBondContact O-CG 3.37Å; C199-L203 PolarHBondContact O-N 3.47Å; C199-L274 HydrophobicContact CB-CG 4.43Å; C199-L451 HydrophobicContact CB-CD1 4Å
200V96.5Very high94.3Very high0 Ų052.8 Ų52.80%026%0.264CS..Hα-helixtrans-61.4-40.2176.8174.80000110R196 L197 L203 L204 L451 F454 A455 Y533R196-V200 WeakPolarHBondContact O-CG2 3.47Å; R196-V200 PolarHBondContact O-N 3.45Å; L197-V200 PolarHBondContact O-N 2.97Å; V200-L203 PolarHBondContact O-N 2.94Å; V200-L204 HydrophobicContact CG1-CD1 3.96Å; V200-L204 HydrophobicContact CG1-CG 4.45Å; V200-L204 VanDerWaalsContact O-CG 3.23Å; V200-L204 WeakPolarHBondContact O-CG 3.28Å; V200-L204 PolarHBondContact O-N 3.22Å; V200-L451 HydrophobicContact CG2-CD2 4.13Å; V200-F454 HydrophobicContact CG2-CB 3.92Å; V200-F454 HydrophobicContact CG2-CD2 4.27Å; V200-A455 HydrophobicContact CG1-CB 4.41Å; V200-Y533 HydrophobicContact CB-CD1 4.47Å; V200-Y533 HydrophobicContact CB-CE1 4.06Å; V200-Y533 HydrophobicContact CG1-CD1 3.86Å; V200-Y533 HydrophobicContact CG1-CE1 3.7Å
201Q96.1Very high94.4Very high63 Ų6355.7 Ų55.729%0.29427%0.272SS..Hα-helixtrans-61.9-46.7175.5-172171.6-23.300112.3L197 D198 C199 L203 L204 Q205 Y533L197-Q201 WeakPolarHBondContact O-CB 3.23Å; L197-Q201 PolarHBondContact O-N 2.95Å; D198-Q201 WeakPolarHBondContact O-CB 3.39Å; D198-Q201 PolarHBondContact O-N 3.23Å; C199-Q201 VanDerWaalsContact C-N 3.26Å; C199-Q201 PolarHBondContact O-N 3.37Å; Q201-L203 VanDerWaalsContact C-N 3.34Å; Q201-L203 PolarHBondContact O-N 2.76Å; Q201-L204 PolarHBondContact O-N 2.86Å; Q201-L204 VanDerWaalsContact O-N 3.17Å; Q201-Q205 HydrophobicContact CG-CG 4.46Å; Q201-Q205 VanDerWaalsContact NE2-NE2 3.17Å; Q201-Q205 WeakPolarHBondContact O-CG 3.45Å; Q201-Q205 PolarHBondContact O-N 2.85Å; Q201-Y533 WeakPolarHBondContact CA-OH 3.24Å; Q201-Y533 VanDerWaalsContact CB-OH 3.24Å; Q201-Y533 WeakPolarHBondContact CB-OH 3.41Å
202E95.4Very high94.5Very high18 Ų1849.5 Ų49.58%0.08425%0.248CC..Hα-helixtrans-60.7-44178179.5167.6-14800111.4D198 C199 L204 Q205 D206 L209 C269 S270 T271 L274D198-E202 PolarHBondContact O-N 3.23Å; C199-E202 PolarHBondContact O-N 3.18Å; E202-L204 VanDerWaalsContact C-N 3.25Å; E202-L204 PolarHBondContact O-N 3.45Å; E202-Q205 PolarHBondContact O-N 3.13Å; E202-Q205 VanDerWaalsContact O-N 3.16Å; E202-D206 PolarHBondContact O-N 2.75Å; E202-L209 HydrophobicContact CG-CD2 3.95Å; E202-C269 WeakPolarHBondContact OE1-CA 3.25Å; E202-S270 VanDerWaalsContact CD-OG 3.23Å; E202-S270 WeakPolarHBondContact OE1-CB 3.38Å; E202-S270 PolarHBondContact OE1-N 2.88Å; E202-S270 PolarHBondContact OE1-OG 3.46Å; E202-T271 HydrophobicContact CB-CG2 3.92Å; E202-T271 WeakPolarHBondContact OE2-CB 3.43Å; E202-T271 WeakPolarHBondContact OE2-CG2 3.47Å; E202-T271 PolarHBondContact OE2-N 2.92Å; E202-T271 PolarHBondContact OE2-OG1 2.93Å; E202-L274 WeakPolarHBondContact OE2-CD1 3.23Å
203L95Very high94.7Very high5 Ų547.3 Ų47.33%0.02624%0.235CC..Hα-helixtrans-63-28.5175.7-69.6170.4000113.5C199 V200 Q201 L209 L213 L451 L452 A455C199-L203 WeakPolarHBondContact O-CB 3.24Å; C199-L203 VanDerWaalsContact O-CG 3.24Å; C199-L203 WeakPolarHBondContact O-CG 3.37Å; C199-L203 PolarHBondContact O-N 3.47Å; V200-L203 PolarHBondContact O-N 2.94Å; Q201-L203 VanDerWaalsContact C-N 3.34Å; Q201-L203 PolarHBondContact O-N 2.76Å; L203-L209 HydrophobicContact CD2-CD2 3.92Å; L203-L209 HydrophobicContact CD2-CG 3.92Å; L203-L213 HydrophobicContact CD2-CD1 3.65Å; L203-L451 HydrophobicContact CD1-CB 4.18Å; L203-L452 HydrophobicContact CD1-CD2 4.16Å; L203-L452 HydrophobicContact CD2-CD2 3.93Å; L203-A455 HydrophobicContact CB-CB 3.85Å; L203-A455 HydrophobicContact CD1-CB 4.29Å
204L94.1Very high94.6Very high58 Ų5849.3 Ų49.330%0.30424%0.244SC..Hα-helixtrans-81.8-24.9176.2-71171.1000112.9V200 Q201 E202 A455 C458 T459 Y533V200-L204 HydrophobicContact CG1-CD1 3.96Å; V200-L204 HydrophobicContact CG1-CG 4.45Å; V200-L204 VanDerWaalsContact O-CG 3.23Å; V200-L204 WeakPolarHBondContact O-CG 3.28Å; V200-L204 PolarHBondContact O-N 3.22Å; Q201-L204 PolarHBondContact O-N 2.86Å; Q201-L204 VanDerWaalsContact O-N 3.17Å; E202-L204 VanDerWaalsContact C-N 3.25Å; E202-L204 PolarHBondContact O-N 3.45Å; L204-A455 HydrophobicContact CD2-CB 4.17Å; L204-A455 WeakPolarHBondContact CD2-O 3.39Å; L204-A455 HydrophobicContact CG-CB 4.3Å; L204-C458 HydrophobicContact CD1-CB 3.86Å; L204-C458 HydrophobicContact CD2-CB 3.87Å; L204-C458 HydrophobicContact CG-CB 4.5Å; L204-T459 HydrophobicContact CD2-CG2 4.01Å; L204-Y533 HydrophobicContact CD1-CD2 4.28Å; L204-Y533 HydrophobicContact CD1-CE2 3.82Å
205Q94.1Very high94.6Very high145 Ų14550.7 Ų50.768%0.67825%0.253SS*.Hα-helixtrans-88-29179.9-71.1-179.7-13.900112.8Q201 E202Q201-Q205 HydrophobicContact CG-CG 4.46Å; Q201-Q205 VanDerWaalsContact NE2-NE2 3.17Å; Q201-Q205 WeakPolarHBondContact O-CG 3.45Å; Q201-Q205 PolarHBondContact O-N 2.85Å; E202-Q205 PolarHBondContact O-N 3.13Å; E202-Q205 VanDerWaalsContact O-N 3.16Å
206D93.9Very high94.5Very high63 Ų6347.8 Ų47.834%0.33724%0.239SC..  trans-11297-179.5-172.4-17.8000111.2E202 E208 L209 F210E202-D206 PolarHBondContact O-N 2.75Å; D206-E208 VanDerWaalsContact C-N 3.32Å; D206-E208 PolarHBondContact O-N 3.3Å; D206-E208 WeakPolarHBondContact OD1-CB 3.27Å; D206-E208 PolarHBondContact OD1-N 3.16Å; D206-E208 VanDerWaalsContact OD1-N 3.08Å; D206-L209 HydrophobicContact CB-CB 3.82Å; D206-L209 HydrophobicContact CB-CD2 4.47Å; D206-L209 VanDerWaalsContact CG-CB 3.42Å; D206-L209 PolarHBondContact O-N 3.1Å; D206-L209 PolarHBondContact OD1-N 3.43Å; D206-F210 PolarHBondContact O-N 3.43Å
207E92.2Very high94.4Very high142 Ų14247.3 Ų47.366%0.66424%0.238SC*.Hα-helixtrans-64.8-34.1178.5-67.3-174.2179.400112.7F210 F211E207-F210 PolarHBondContact O-N 3.02Å; E207-F211 HydrophobicContact CB-CD2 4.37Å; E207-F211 HydrophobicContact CB-CE2 4.4Å; E207-F211 WeakPolarHBondContact O-CD2 3.07Å; E207-F211 PolarHBondContact O-N 2.76Å
208E92.8Very high94.2Very high169 Ų16950.3 Ų50.379%0.7926%0.259SS*.Hα-helixtrans-65.8-42.7178.7-66-172.5175.100110.4D206 G212D206-E208 VanDerWaalsContact C-N 3.32Å; D206-E208 PolarHBondContact O-N 3.3Å; D206-E208 WeakPolarHBondContact OD1-CB 3.27Å; D206-E208 PolarHBondContact OD1-N 3.16Å; D206-E208 VanDerWaalsContact OD1-N 3.08Å; E208-G212 WeakPolarHBondContact O-CA 3.39Å; E208-G212 PolarHBondContact O-N 2.94Å
209L93.3Very high93.9Very high7 Ų754.2 Ų54.24%0.03727%0.269CS..Hα-helixtrans-61.4-46.3173.3179.964.4000111.4E202 L203 D206 L213 T265 L274E202-L209 HydrophobicContact CG-CD2 3.95Å; L203-L209 HydrophobicContact CD2-CD2 3.92Å; L203-L209 HydrophobicContact CD2-CG 3.92Å; D206-L209 HydrophobicContact CB-CB 3.82Å; D206-L209 HydrophobicContact CB-CD2 4.47Å; D206-L209 VanDerWaalsContact CG-CB 3.42Å; D206-L209 PolarHBondContact O-N 3.1Å; D206-L209 PolarHBondContact OD1-N 3.43Å; L209-L213 HydrophobicContact CD1-CD1 3.79Å; L209-L213 HydrophobicContact CD1-CG 4.02Å; L209-L213 HydrophobicContact CG-CD1 4.04Å; L209-L213 WeakPolarHBondContact O-CB 3.44Å; L209-L213 VanDerWaalsContact O-CG 3.32Å; L209-L213 WeakPolarHBondContact O-CG 3.36Å; L209-L213 PolarHBondContact O-N 3.2Å; L209-T265 HydrophobicContact CD1-CG2 4.11Å; L209-T265 WeakPolarHBondContact CD1-O 3.45Å; L209-L274 HydrophobicContact CD2-CD1 4.21Å
210F94.4Very high93.6Very high13 Ų1354.6 Ų54.66%0.05727%0.271CS..Hα-helixtrans-60.4-56-179.5179.4-96.8000112.5D206 E207 L213 Q214 L452 A455 H456D206-F210 PolarHBondContact O-N 3.43Å; E207-F210 PolarHBondContact O-N 3.02Å; F210-L213 PolarHBondContact O-N 2.83Å; F210-Q214 WeakPolarHBondContact O-CB 3.31Å; F210-Q214 PolarHBondContact O-N 2.7Å; F210-L452 HydrophobicContact CD2-CD2 3.87Å; F210-L452 HydrophobicContact CE2-CD2 4.19Å; F210-A455 HydrophobicContact CD2-CB 4.07Å; F210-A455 HydrophobicContact CE2-CB 3.85Å; F210-H456 HydrophobicContact CE2-CB 4.24Å; F210-H456 HydrophobicContact CZ-CB 3.92Å; F210-H456 AromaticContact CZ-CD2 3.92Å
211F94.2Very high92.9Very high119 Ų11957 Ų5752%0.52228%0.284SS..Hα-helixtrans-69.5-35.1-179.7-71.3-63.9000112E207 Q214 S215E207-F211 HydrophobicContact CB-CD2 4.37Å; E207-F211 HydrophobicContact CB-CE2 4.4Å; E207-F211 WeakPolarHBondContact O-CD2 3.07Å; E207-F211 PolarHBondContact O-N 2.76Å; F211-Q214 PolarHBondContact O-N 3.34Å; F211-S215 WeakPolarHBondContact O-CB 3.46Å; F211-S215 PolarHBondContact O-N 3.47Å
212G93.9Very high92Very high19 Ų1955.3 Ų55.320%0.19628%0.277CS..Hα-helixtrans-57.7-52.4173.900000111.7E208 S215 V216E208-G212 WeakPolarHBondContact O-CA 3.39Å; E208-G212 PolarHBondContact O-N 2.94Å; G212-S215 PolarHBondContact O-N 3.19Å; G212-S215 PolarHBondContact O-OG 3.25Å; G212-V216 WeakPolarHBondContact O-CG2 3.43Å; G212-V216 PolarHBondContact O-N 2.92Å
213L93.7Very high91.1Very high1 Ų155 Ų551%0.00528%0.276CS..Hα-helixtrans-65.9-42.5178.6-73.8174.9000111.7L203 L209 F210 S215 V216 I217 L262 T265 L266 L452L203-L213 HydrophobicContact CD2-CD1 3.65Å; L209-L213 HydrophobicContact CD1-CD1 3.79Å; L209-L213 HydrophobicContact CD1-CG 4.02Å; L209-L213 HydrophobicContact CG-CD1 4.04Å; L209-L213 WeakPolarHBondContact O-CB 3.44Å; L209-L213 VanDerWaalsContact O-CG 3.32Å; L209-L213 WeakPolarHBondContact O-CG 3.36Å; L209-L213 PolarHBondContact O-N 3.2Å; F210-L213 PolarHBondContact O-N 2.83Å; L213-S215 VanDerWaalsContact C-N 3.29Å; L213-S215 PolarHBondContact O-N 3.26Å; L213-V216 PolarHBondContact O-N 3.3Å; L213-I217 WeakPolarHBondContact O-CB 3.4Å; L213-I217 WeakPolarHBondContact O-CG1 3.49Å; L213-I217 PolarHBondContact O-N 2.84Å; L213-L262 HydrophobicContact CD2-CD1 3.68Å; L213-T265 HydrophobicContact CB-CG2 4.48Å; L213-T265 HydrophobicContact CD2-CG2 3.75Å; L213-T265 HydrophobicContact CG-CG2 3.71Å; L213-L266 HydrophobicContact CD1-CD2 4.13Å; L213-L266 HydrophobicContact CD2-CD2 3.83Å; L213-L266 HydrophobicContact CD2-CG 4Å; L213-L452 HydrophobicContact CB-CD1 3.92Å; L213-L452 HydrophobicContact CB-CD2 4.02Å; L213-L452 HydrophobicContact CB-CG 4.39Å; L213-L452 HydrophobicContact CD1-CD2 4.35Å
214Q93.2Very high89.9Confident43 Ų4355.9 Ų55.920%0.20128%0.28CS..Hα-helixtrans-59.6-40.5177.8-168.6-176.954.100111.9F210 F211 V216 S218 L452F210-Q214 WeakPolarHBondContact O-CB 3.31Å; F210-Q214 PolarHBondContact O-N 2.7Å; F211-Q214 PolarHBondContact O-N 3.34Å; Q214-V216 VanDerWaalsContact C-N 3.34Å; Q214-V216 PolarHBondContact O-N 2.92Å; Q214-S218 VanDerWaalsContact O-CB 3.26Å; Q214-S218 WeakPolarHBondContact O-CB 3.45Å; Q214-S218 PolarHBondContact O-N 2.71Å; Q214-S218 PolarHBondContact O-OG 2.87Å; Q214-L452 HydrophobicContact CB-CD1 4.46Å
215S93.7Very high89Confident65 Ų6557.7 Ų57.746%0.45529%0.287SS..Hα-helixtrans-65.3-35.5178.679.70000113F211 G212 L213 S218 R219F211-S215 WeakPolarHBondContact O-CB 3.46Å; F211-S215 PolarHBondContact O-N 3.47Å; G212-S215 PolarHBondContact O-N 3.19Å; G212-S215 PolarHBondContact O-OG 3.25Å; L213-S215 VanDerWaalsContact C-N 3.29Å; L213-S215 PolarHBondContact O-N 3.26Å; S215-S218 PolarHBondContact O-OG 3.04Å; S215-S218 VanDerWaalsContact O-OG 3.1Å; S215-R219 WeakPolarHBondContact O-CD 3.45Å; S215-R219 WeakPolarHBondContact O-CG 3.35Å
216V93.9Very high88.2Confident7 Ų751.2 Ų51.24%0.04226%0.257CS..Hα-helixtrans-80.8-48.6179.7177.90000110.6G212 L213 Q214 S218 R219 F220 P261 L262G212-V216 WeakPolarHBondContact O-CG2 3.43Å; G212-V216 PolarHBondContact O-N 2.92Å; L213-V216 PolarHBondContact O-N 3.3Å; Q214-V216 VanDerWaalsContact C-N 3.34Å; Q214-V216 PolarHBondContact O-N 2.92Å; V216-S218 VanDerWaalsContact C-N 3.32Å; V216-S218 PolarHBondContact O-N 3.23Å; V216-R219 WeakPolarHBondContact O-CB 3.12Å; V216-R219 PolarHBondContact O-N 3.47Å; V216-F220 HydrophobicContact CG1-CE2 3.94Å; V216-F220 WeakPolarHBondContact O-CD2 3.28Å; V216-P261 HydrophobicContact CG1-CB 4.29Å; V216-P261 HydrophobicContact CG2-CB 4.05Å; V216-L262 HydrophobicContact CG1-CB 3.91Å; V216-L262 HydrophobicContact CG1-CD1 4.16Å
217I93.4Very high87.4Confident0 Ų048.4 Ų48.40%024%0.242CC..Hα-helixtrans-62.6-36.7-178.1-70-176.6000111.8K171 T172 L213 R219 F220 L262 L448 D449 L452K171-I217 HydrophobicContact CB-CG2 4.48Å; T172-I217 HydrophobicContact CG2-CG2 3.82Å; L213-I217 WeakPolarHBondContact O-CB 3.4Å; L213-I217 WeakPolarHBondContact O-CG1 3.49Å; L213-I217 PolarHBondContact O-N 2.84Å; I217-R219 PolarHBondContact O-N 3.17Å; I217-R219 VanDerWaalsContact O-N 3.09Å; I217-F220 WeakPolarHBondContact O-CB 3.36Å; I217-F220 PolarHBondContact O-N 2.93Å; I217-L262 HydrophobicContact CG1-CD1 4.36Å; I217-L448 HydrophobicContact CD1-CB 3.6Å; I217-D449 HydrophobicContact CG2-CB 3.81Å; I217-L452 HydrophobicContact CB-CD1 4.48Å; I217-L452 HydrophobicContact CD1-CD1 3.71Å
218S91.7Very high86.5Confident65 Ų6541.7 Ų41.746%0.45521%0.211SC..THydrogen-bonded Turntrans-62.8-16.3175.963.20000114.7Q214 S215 V216Q214-S218 VanDerWaalsContact O-CB 3.26Å; Q214-S218 WeakPolarHBondContact O-CB 3.45Å; Q214-S218 PolarHBondContact O-N 2.71Å; Q214-S218 PolarHBondContact O-OG 2.87Å; S215-S218 PolarHBondContact O-OG 3.04Å; S215-S218 VanDerWaalsContact O-OG 3.1Å; V216-S218 VanDerWaalsContact C-N 3.32Å; V216-S218 PolarHBondContact O-N 3.23Å
219R90.7Very high85.6Confident136 Ų13635.5 Ų35.551%0.51318%0.184SC..THydrogen-bonded Turntrans-92.5-12177.1-63.1168.559.1-169.9-5.1113S215 V216 I217 H254 L258S215-R219 WeakPolarHBondContact O-CD 3.45Å; S215-R219 WeakPolarHBondContact O-CG 3.35Å; V216-R219 WeakPolarHBondContact O-CB 3.12Å; V216-R219 PolarHBondContact O-N 3.47Å; I217-R219 PolarHBondContact O-N 3.17Å; I217-R219 VanDerWaalsContact O-N 3.09Å; R219-H254 PolarHBondContact O-NE2 3.48Å; R219-L258 HydrophobicContact CB-CD1 3.84Å; R219-L258 HydrophobicContact CB-CD2 3.97Å; R219-L258 VanDerWaalsContact CZ-CD2 3.47Å; R219-L258 WeakPolarHBondContact O-CD1 3.36Å
220F88.4Confident84.7Confident9 Ų935.3 Ų35.34%0.03918%0.183CC..  trans-70.6135.1173.4-83.3-94.3000110.1T172 V216 I217 T223 T255 L258 L262 V445T172-F220 HydrophobicContact CG2-CB 4.19Å; V216-F220 HydrophobicContact CG1-CE2 3.94Å; V216-F220 WeakPolarHBondContact O-CD2 3.28Å; I217-F220 WeakPolarHBondContact O-CB 3.36Å; I217-F220 PolarHBondContact O-N 2.93Å; F220-T223 HydrophobicContact CD1-CG2 3.96Å; F220-T255 HydrophobicContact CD1-CG2 3.99Å; F220-T255 HydrophobicContact CE1-CG2 3.8Å; F220-L258 HydrophobicContact CD1-CD1 4.38Å; F220-L258 HydrophobicContact CD2-CB 4.3Å; F220-L258 HydrophobicContact CD2-CD1 3.89Å; F220-L258 HydrophobicContact CE1-CB 4.19Å; F220-L258 HydrophobicContact CE2-CB 3.67Å; F220-L258 HydrophobicContact CE2-CD1 4.12Å; F220-L258 HydrophobicContact CG-CD1 4.05Å; F220-L258 HydrophobicContact CZ-CB 3.6Å; F220-L258 HydrophobicContact CZ-CD1 4.45Å; F220-L262 HydrophobicContact CE2-CD2 4.19Å; F220-L262 HydrophobicContact CZ-CD2 4.1Å; F220-V445 HydrophobicContact CB-CG1 4.25Å; F220-V445 HydrophobicContact CD1-CG1 4.26Å; F220-V445 HydrophobicContact CD1-CG2 4.06Å; F220-V445 HydrophobicContact CD2-CG1 4.44Å; F220-V445 HydrophobicContact CE1-CG2 3.8Å; F220-V445 HydrophobicContact CE2-CG2 4.32Å; F220-V445 HydrophobicContact CG-CG1 4.07Å; F220-V445 HydrophobicContact CG-CG2 4.44Å; F220-V445 HydrophobicContact CZ-CG2 3.94Å
221L82.3Confident83.8Confident49 Ų4934.7 Ų34.726%0.25718%0.18SC..  trans-83.7177.5168.6-62.9169.3000109.2T223 Y251L221-T223 PolarHBondContact O-N 3.41Å; L221-Y251 HydrophobicContact CD1-CD1 3.72Å; L221-Y251 HydrophobicContact CD1-CD2 4.14Å; L221-Y251 HydrophobicContact CD1-CE1 4.15Å; L221-Y251 HydrophobicContact CD1-CE2 4.49Å; L221-Y251 HydrophobicContact CD1-CG 3.72Å
222D77.8Confident82.8Confident29 Ų2930.5 Ų30.516%0.15516%0.163CC..  trans-66.394.3174.3-168.6-22.4000110.3A173 R177 E224 Q225 L226A173-D222 HydrophobicContact CB-CB 4.35Å; A173-D222 VanDerWaalsContact CB-OD2 3.29Å; A173-D222 WeakPolarHBondContact CB-OD2 3.48Å; R177-D222 IonicContact CZ-OD1 3.93Å; R177-D222 IonicContact CZ-OD2 3.47Å; R177-D222 IonicContact NH1-OD1 3Å; R177-D222 IonicContact NH1-OD2 3.32Å; R177-D222 PolarHBondContact NH1-OD2 3.37Å; R177-D222 VanDerWaalsContact NH2-CG 3.33Å; R177-D222 IonicContact NH2-OD1 3.31Å; R177-D222 PolarHBondContact NH2-OD1 2.95Å; R177-D222 IonicContact NH2-OD2 3.51Å; R177-D222 PolarHBondContact NH2-OD2 2.75Å; R177-D222 VanDerWaalsContact NH2-OD2 3.1Å; D222-E224 VanDerWaalsContact C-N 3.32Å; D222-E224 PolarHBondContact O-N 3.42Å; D222-E224 PolarHBondContact OD1-N 3.03Å; D222-Q225 HydrophobicContact CB-CB 3.89Å; D222-Q225 VanDerWaalsContact CG-CB 3.5Å; D222-Q225 PolarHBondContact O-N 2.85Å; D222-Q225 PolarHBondContact OD1-N 2.99Å; D222-L226 WeakPolarHBondContact O-CB 3.5Å; D222-L226 PolarHBondContact O-N 3.34Å
223T75.6Confident81.8Confident12 Ų1232.9 Ų32.97%0.07417%0.17CC..Hα-helixtrans-66.2-32.9-177.247.90000112.4F220 L221 L227 T255 S442F220-T223 HydrophobicContact CD1-CG2 3.96Å; L221-T223 PolarHBondContact O-N 3.41Å; T223-L227 WeakPolarHBondContact O-CB 3.36Å; T223-L227 VanDerWaalsContact O-CG 3.23Å; T223-L227 WeakPolarHBondContact O-CG 3.38Å; T223-L227 PolarHBondContact O-N 3.28Å; T223-T255 HydrophobicContact CG2-CG2 3.65Å; T223-S442 PolarHBondContact OG1-OG 3.45Å
224E69.8Low80.8Confident22 Ų2234.3 Ų34.310%0.10318%0.18CC..Hα-helixtrans-68.4-46.2176.1-62.7-177.4157.600110.9K7 R177 D222 L226 L227 S228 S442K7-E224 CarbonylContact O-C 3.52Å; R177-E224 IonicContact CZ-OE2 3.11Å; R177-E224 VanDerWaalsContact CZ-OE2 3.23Å; R177-E224 IonicContact NE-OE2 3.41Å; R177-E224 PolarHBondContact NE-OE2 3.45Å; R177-E224 IonicContact NH2-OE2 3.52Å; R177-E224 PolarHBondContact NH2-OE2 2.94Å; D222-E224 VanDerWaalsContact C-N 3.32Å; D222-E224 PolarHBondContact O-N 3.42Å; D222-E224 PolarHBondContact OD1-N 3.03Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 3.3Å; E224-L227 PolarHBondContact O-N 3.5Å; E224-S228 PolarHBondContact O-N 2.86Å; E224-S442 WeakPolarHBondContact CG-OG 3.45Å
225Q75.4Confident79.4Confident96 Ų9636.8 Ų36.845%0.44919%0.19SC..Hα-helixtrans-61.2-43.3175.4-171.2178.31.600111.6K7 D222 L227 S228 V229K7-Q225 WeakPolarHBondContact O-CA 3.2Å; K7-Q225 PolarHBondContact O-N 3.04Å; K7-Q225 VanDerWaalsContact O-N 3.12Å; D222-Q225 HydrophobicContact CB-CB 3.89Å; D222-Q225 VanDerWaalsContact CG-CB 3.5Å; D222-Q225 PolarHBondContact O-N 2.85Å; D222-Q225 PolarHBondContact OD1-N 2.99Å; Q225-L227 PolarHBondContact O-N 3.36Å; Q225-S228 PolarHBondContact O-N 2.88Å; Q225-V229 WeakPolarHBondContact O-CG2 3.43Å; Q225-V229 PolarHBondContact O-N 3.1Å; Q225-V229 VanDerWaalsContact O-N 3.1Å
226L78.6Confident78.1Confident9 Ų939.7 Ų39.75%0.04720%0.196CC..Hα-helixtrans-56.5-51174.5174.660.4000111.1D222 E224 S228 V229 L230 N248 Y251 L252D222-L226 WeakPolarHBondContact O-CB 3.5Å; D222-L226 PolarHBondContact O-N 3.34Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 3.3Å; L226-S228 VanDerWaalsContact C-N 3.28Å; L226-S228 PolarHBondContact O-N 3.5Å; L226-V229 PolarHBondContact O-N 3.32Å; L226-L230 HydrophobicContact CD1-CD1 3.88Å; L226-L230 HydrophobicContact CD1-CG 4.02Å; L226-L230 HydrophobicContact CG-CD1 3.83Å; L226-L230 HydrophobicContact CG-CG 4.39Å; L226-L230 WeakPolarHBondContact O-CB 3.42Å; L226-L230 WeakPolarHBondContact O-CG 3.23Å; L226-L230 PolarHBondContact O-N 3.42Å; L226-N248 HydrophobicContact CD1-CB 3.65Å; L226-N248 VanDerWaalsContact CD1-O 3.31Å; L226-N248 WeakPolarHBondContact CD1-O 3.26Å; L226-Y251 HydrophobicContact CD1-CD2 4.5Å; L226-L252 HydrophobicContact CD2-CB 4.29Å
227L76.1Confident76.9Confident5 Ų544 Ų443%0.02622%0.219CC..Hα-helixtrans-58.1-42.8177.8-72.8166.8000111.2P9 T223 E224 Q225 V229 L230 V231 I435 L438 Y439P9-L227 VanDerWaalsContact CG-C 3.48Å; P9-L227 HydrophobicContact CG-CB 3.6Å; T223-L227 WeakPolarHBondContact O-CB 3.36Å; T223-L227 VanDerWaalsContact O-CG 3.23Å; T223-L227 WeakPolarHBondContact O-CG 3.38Å; T223-L227 PolarHBondContact O-N 3.28Å; E224-L227 PolarHBondContact O-N 3.5Å; Q225-L227 PolarHBondContact O-N 3.36Å; L227-V229 PolarHBondContact O-N 2.99Å; L227-L230 PolarHBondContact O-N 3.06Å; L227-V231 WeakPolarHBondContact O-CB 3.43Å; L227-V231 VanDerWaalsContact O-CG2 3.26Å; L227-V231 WeakPolarHBondContact O-CG2 3.47Å; L227-V231 PolarHBondContact O-N 3.05Å; L227-I435 HydrophobicContact CD2-CD1 4.33Å; L227-I435 HydrophobicContact CD2-CG1 4.1Å; L227-L438 HydrophobicContact CD1-CB 4.32Å; L227-L438 HydrophobicContact CD2-CB 3.57Å; L227-L438 HydrophobicContact CD2-CD1 3.88Å; L227-L438 HydrophobicContact CD2-CG 4.38Å; L227-L438 HydrophobicContact CG-CB 4.46Å; L227-Y439 HydrophobicContact CD1-CD1 4.18Å; L227-Y439 HydrophobicContact CD1-CE1 4.5Å; L227-Y439 HydrophobicContact CD1-CG 4.33Å
228S73.9Confident75.9Confident0 Ų047.2 Ų47.20%024%0.239CC..Hα-helixtrans-60.3-49.3-177.3-172.40000111.7L6 K7 E224 Q225 L226 L230 V231 Q232L6-S228 PolarHBondContact O-OG 3.14Å; K7-S228 WeakPolarHBondContact O-CB 3.46Å; E224-S228 PolarHBondContact O-N 2.86Å; Q225-S228 PolarHBondContact O-N 2.88Å; L226-S228 VanDerWaalsContact C-N 3.28Å; L226-S228 PolarHBondContact O-N 3.5Å; S228-L230 VanDerWaalsContact C-N 3.31Å; S228-L230 PolarHBondContact O-N 3.37Å; S228-V231 PolarHBondContact O-N 3.21Å; S228-Q232 WeakPolarHBondContact O-CG 3.48Å; S228-Q232 PolarHBondContact O-N 3.13Å; S228-Q232 VanDerWaalsContact O-N 3.07Å; S228-Q232 PolarHBondContact OG-NE2 3.41Å
229V73.1Confident74.9Confident39 Ų3947.1 Ų47.124%0.23624%0.235CC..Hα-helixtrans-71.5-29.2-179.5-170.90000111.2Q225 L226 L227 K245 N248Q225-V229 WeakPolarHBondContact O-CG2 3.43Å; Q225-V229 PolarHBondContact O-N 3.1Å; Q225-V229 VanDerWaalsContact O-N 3.1Å; L226-V229 PolarHBondContact O-N 3.32Å; L227-V229 PolarHBondContact O-N 2.99Å; V229-K245 PolarHBondContact O-NZ 2.8Å; V229-N248 WeakPolarHBondContact CG1-ND2 3.48Å
230L75.3Confident74Confident3 Ų346.5 Ų46.52%0.01624%0.242CC..Hα-helixtrans-65.2-42.5172.5-74.7173.1000111.5L226 L227 S228 K245 N248 L252 L428 Y432L226-L230 HydrophobicContact CD1-CD1 3.88Å; L226-L230 HydrophobicContact CD1-CG 4.02Å; L226-L230 HydrophobicContact CG-CD1 3.83Å; L226-L230 HydrophobicContact CG-CG 4.39Å; L226-L230 WeakPolarHBondContact O-CB 3.42Å; L226-L230 WeakPolarHBondContact O-CG 3.23Å; L226-L230 PolarHBondContact O-N 3.42Å; L227-L230 PolarHBondContact O-N 3.06Å; S228-L230 VanDerWaalsContact C-N 3.31Å; S228-L230 PolarHBondContact O-N 3.37Å; L230-K245 PolarHBondContact O-NZ 3.06Å; L230-N248 HydrophobicContact CD2-CB 3.83Å; L230-N248 HydrophobicContact CG-CB 4.3Å; L230-L252 HydrophobicContact CD1-CB 4.4Å; L230-L252 HydrophobicContact CD1-CD1 4.47Å; L230-L252 HydrophobicContact CD1-CD2 4.11Å; L230-L428 HydrophobicContact CD2-CD1 4.46Å; L230-L428 HydrophobicContact CD2-CD2 3.83Å; L230-Y432 PolarHBondContact O-OH 2.92Å
231V75.8Confident73.2Confident0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-78.3-28.8-175.3177.30000113.6P9 Y122 A123 S126 L127 L227 S228 I233 I435P9-V231 HydrophobicContact CB-CB 4.11Å; P9-V231 HydrophobicContact CB-CG1 4.43Å; P9-V231 HydrophobicContact CB-CG2 4.18Å; P9-V231 HydrophobicContact CG-CG2 4.25Å; Y122-V231 HydrophobicContact CD1-CG1 4.04Å; A123-V231 HydrophobicContact CB-CG1 4.46Å; A123-V231 PolarHBondContact N-O 3.33Å; A123-V231 VanDerWaalsContact N-O 3.07Å; S126-V231 VanDerWaalsContact CB-CG1 3.46Å; S126-V231 WeakPolarHBondContact OG-CG1 3.39Å; L127-V231 HydrophobicContact CD2-CG1 4.04Å; L227-V231 WeakPolarHBondContact O-CB 3.43Å; L227-V231 VanDerWaalsContact O-CG2 3.26Å; L227-V231 WeakPolarHBondContact O-CG2 3.47Å; L227-V231 PolarHBondContact O-N 3.05Å; S228-V231 PolarHBondContact O-N 3.21Å; V231-I233 PolarHBondContact O-N 2.76Å; V231-I435 HydrophobicContact CG2-CD1 3.5Å; V231-I435 VanDerWaalsContact CG2-CD1 3.5Å
232Q72.6Confident72.8Confident32 Ų3244.8 Ų44.815%0.1524%0.237CC..EExtended strand (participates in β ladder)trans-71.1120.2177.2-73.41715.300111.5Y122 S228 K245Y122-Q232 HydrophobicContact CD1-CG 3.89Å; Y122-Q232 HydrophobicContact CE1-CG 3.46Å; Y122-Q232 VanDerWaalsContact CE1-CG 3.46Å; S228-Q232 WeakPolarHBondContact O-CG 3.48Å; S228-Q232 PolarHBondContact O-N 3.13Å; S228-Q232 VanDerWaalsContact O-N 3.07Å; S228-Q232 PolarHBondContact OG-NE2 3.41Å; Q232-K245 WeakPolarHBondContact O-CE 3.39Å; Q232-K245 PolarHBondContact O-NZ 2.91Å
233I73.9Confident72.7Confident68 Ų6846.1 Ų46.135%0.34924%0.242SC..EExtended strand (participates in β ladder)trans-101.7114.8175.4-54.9177.9000108.3S120 V121 A123 V231S120-I233 CarbonylContact C-O 3.56Å; S120-I233 VanDerWaalsContact CA-O 3.27Å; S120-I233 WeakPolarHBondContact CA-O 3.48Å; S120-I233 WeakPolarHBondContact CB-O 3.19Å; V121-I233 PolarHBondContact N-O 2.94Å; V121-I233 WeakPolarHBondContact O-CA 3.34Å; V121-I233 WeakPolarHBondContact O-CB 3.28Å; V121-I233 PolarHBondContact O-N 2.98Å; A123-I233 HydrophobicContact CB-CD1 3.67Å; A123-I233 HydrophobicContact CB-CG1 4.18Å; V231-I233 PolarHBondContact O-N 2.76Å
234P71.3Confident72.8Confident32 Ų3247.8 Ų47.821%0.20825%0.254CS..EExtended strand (participates in β ladder)trans-66.8142.9177.629.5-34.7000110.8Q236 A241P234-Q236 VanDerWaalsContact C-N 3.29Å; P234-A241 HydrophobicContact CB-CB 4.42Å; P234-A241 HydrophobicContact CG-CB 3.98Å
235K64.8Low73.3Confident95 Ų9547.2 Ų47.241%0.41325%0.251SS..SBendtrans-75.9-17.6175.1-69.1177.1174.71770113.4E115 N119 V121E115-K235 WeakPolarHBondContact OE1-CE 3.46Å; E115-K235 IonicContact OE1-NZ 3.08Å; E115-K235 PolarHBondContact OE1-NZ 2.83Å; N119-K235 VanDerWaalsContact O-CB 3.24Å; N119-K235 WeakPolarHBondContact O-CB 3.23Å; N119-K235 WeakPolarHBondContact O-CG 3.29Å; N119-K235 PolarHBondContact O-N 3.01Å; N119-K235 WeakPolarHBondContact OD1-CD 3.32Å; V121-K235 HydrophobicContact CG2-CD 4.36Å; V121-K235 HydrophobicContact CG2-CG 4.07Å
236Q66.9Low73.5Confident125 Ų12542.7 Ų42.758%0.58423%0.23SC*.SBendtrans-123.7127.4177-69.1-178.5-5.800109.9P234 T238P234-Q236 VanDerWaalsContact C-N 3.29Å; Q236-T238 HydrophobicContact CB-CG2 4.47Å; Q236-T238 PolarHBondContact O-N 2.65Å
237D68Low73.7Confident99 Ų9942.9 Ų42.953%0.52923%0.232SC..  trans-74.790.2175.4-70-34.5000109.8Y421D237-Y421 VanDerWaalsContact OD1-CE1 3.28Å; D237-Y421 WeakPolarHBondContact OD1-CE1 3.34Å; D237-Y421 PolarHBondContact OD1-OH 3.07Å
238T72.3Confident74Confident67 Ų6743.4 Ų43.441%0.41123%0.234SC..  trans-95.3149.8172.961.50000110.7Q236 N240 A241 A242Q236-T238 HydrophobicContact CB-CG2 4.47Å; Q236-T238 PolarHBondContact O-N 2.65Å; T238-N240 PolarHBondContact O-N 2.94Å; T238-A241 WeakPolarHBondContact O-CB 2.95Å; T238-A241 PolarHBondContact O-N 2.9Å; T238-A241 WeakPolarHBondContact OG1-CB 3.46Å; T238-A241 PolarHBondContact OG1-N 3.14Å; T238-A242 PolarHBondContact O-N 2.92Å
239V70.3Confident74.5Confident62 Ų6243.5 Ų43.538%0.37624%0.235SC..Hα-helixtrans-56.4-37.2176.9-178.90000111.4A241 A242 E243 R414 Y417V239-A241 PolarHBondContact O-N 3.03Å; V239-A242 WeakPolarHBondContact O-CB 3.43Å; V239-A242 PolarHBondContact O-N 2.96Å; V239-E243 WeakPolarHBondContact O-CB 3.49Å; V239-E243 PolarHBondContact O-N 2.82Å; V239-R414 HydrophobicContact CG1-CG 4.15Å; V239-R414 HydrophobicContact CG2-CB 4.47Å; V239-R414 HydrophobicContact CG2-CG 4.11Å; V239-Y417 HydrophobicContact CG1-CD2 4.19Å
240N72.4Confident75Confident123 Ų12341.8 Ų41.866%0.65822%0.224SC*.Hα-helixtrans-66.6-36.7177.8-64.8-10.8000112.2T238 S244T238-N240 PolarHBondContact O-N 2.94Å; N240-S244 WeakPolarHBondContact O-CB 3.49Å; N240-S244 PolarHBondContact O-N 3.1Å
241A71.9Confident75.5Confident19 Ų1944.1 Ų44.116%0.15723%0.234CC..Hα-helixtrans-68.4-42.217600000111.5P234 T238 V239 S244 K245P234-A241 HydrophobicContact CB-CB 4.42Å; P234-A241 HydrophobicContact CG-CB 3.98Å; T238-A241 WeakPolarHBondContact O-CB 2.95Å; T238-A241 PolarHBondContact O-N 2.9Å; T238-A241 WeakPolarHBondContact OG1-CB 3.46Å; T238-A241 PolarHBondContact OG1-N 3.14Å; V239-A241 PolarHBondContact O-N 3.03Å; A241-S244 PolarHBondContact O-N 3.34Å; A241-K245 WeakPolarHBondContact O-CG 2.9Å; A241-K245 PolarHBondContact O-N 3.21Å
242A73.9Confident76.1Confident4 Ų444.3 Ų44.33%0.03323%0.234CC..Hα-helixtrans-57.7-49.4173.200000111.5T238 V239 S244 K245 I246 Y421T238-A242 PolarHBondContact O-N 2.92Å; V239-A242 WeakPolarHBondContact O-CB 3.43Å; V239-A242 PolarHBondContact O-N 2.96Å; A242-S244 VanDerWaalsContact C-N 3.35Å; A242-S244 PolarHBondContact O-N 2.92Å; A242-K245 PolarHBondContact O-N 2.94Å; A242-I246 WeakPolarHBondContact O-CD1 3.41Å; A242-I246 VanDerWaalsContact O-CG1 3.28Å; A242-I246 WeakPolarHBondContact O-CG1 3.31Å; A242-I246 PolarHBondContact O-N 3.2Å; A242-I246 VanDerWaalsContact O-N 3.1Å; A242-Y421 HydrophobicContact CB-CD1 4.48Å; A242-Y421 HydrophobicContact CB-CD2 3.97Å; A242-Y421 HydrophobicContact CB-CG 3.79Å
243E74.6Confident76.8Confident56 Ų5642.9 Ų42.926%0.26223%0.228SC..Hα-helixtrans-62-41.2179.5-164.9-175.9168.600112.7V239 T247 K314 Y417V239-E243 WeakPolarHBondContact O-CB 3.49Å; V239-E243 PolarHBondContact O-N 2.82Å; E243-T247 PolarHBondContact O-N 3.09Å; E243-T247 VanDerWaalsContact O-N 3.13Å; E243-T247 PolarHBondContact O-OG1 3.19Å; E243-K314 HydrophobicContact CG-CD 3.57Å; E243-K314 VanDerWaalsContact CG-NZ 3.35Å; E243-K314 IonicContact OE1-NZ 2.82Å; E243-K314 PolarHBondContact OE1-NZ 3.24Å; E243-Y417 HydrophobicContact CG-CE2 4.25Å
244S77.4Confident77.5Confident47 Ų4741.5 Ų41.533%0.32922%0.22SC..Hα-helixtrans-62.6-48.4176.3-177.70000111.4N240 A241 A242 I246 T247 N248N240-S244 WeakPolarHBondContact O-CB 3.49Å; N240-S244 PolarHBondContact O-N 3.1Å; A241-S244 PolarHBondContact O-N 3.34Å; A242-S244 VanDerWaalsContact C-N 3.35Å; A242-S244 PolarHBondContact O-N 2.92Å; S244-I246 PolarHBondContact O-N 3.23Å; S244-T247 WeakPolarHBondContact O-CB 3.39Å; S244-T247 PolarHBondContact O-N 2.87Å; S244-T247 VanDerWaalsContact O-N 3.14Å; S244-N248 PolarHBondContact O-N 2.98Å; S244-N248 PolarHBondContact O-ND2 2.72Å; S244-N248 PolarHBondContact OG-ND2 3.06Å
245K80Confident78.3Confident10 Ų1040.2 Ų40.24%0.04321%0.211CC..Hα-helixtrans-61.9-40.8-179.9-73.4-72.9-166.9-176.10113.1V229 L230 Q232 A241 A242 T247 N248 L249 Y421 L428V229-K245 PolarHBondContact O-NZ 2.8Å; L230-K245 PolarHBondContact O-NZ 3.06Å; Q232-K245 WeakPolarHBondContact O-CE 3.39Å; Q232-K245 PolarHBondContact O-NZ 2.91Å; A241-K245 WeakPolarHBondContact O-CG 2.9Å; A241-K245 PolarHBondContact O-N 3.21Å; A242-K245 PolarHBondContact O-N 2.94Å; K245-T247 VanDerWaalsContact C-N 3.33Å; K245-T247 PolarHBondContact O-N 3.39Å; K245-N248 PolarHBondContact O-N 2.87Å; K245-L249 PolarHBondContact O-N 3.37Å; K245-Y421 HydrophobicContact CB-CD2 4.16Å; K245-Y421 HydrophobicContact CB-CE2 4.31Å; K245-Y421 HydrophobicContact CG-CD2 4.4Å; K245-Y421 HydrophobicContact CG-CE2 4.05Å; K245-L428 HydrophobicContact CD-CD1 4.2Å
246I81Confident79.6Confident2 Ų236 Ų361%0.0119%0.193CC..Hα-helixtrans-61.5-45174.9-63.5163.4000110.2A242 S244 N248 L249 I250 K314 A317 Y417 T420 V424A242-I246 WeakPolarHBondContact O-CD1 3.41Å; A242-I246 VanDerWaalsContact O-CG1 3.28Å; A242-I246 WeakPolarHBondContact O-CG1 3.31Å; A242-I246 PolarHBondContact O-N 3.2Å; A242-I246 VanDerWaalsContact O-N 3.1Å; S244-I246 PolarHBondContact O-N 3.23Å; I246-N248 PolarHBondContact O-N 3.37Å; I246-L249 PolarHBondContact O-N 2.88Å; I246-I250 HydrophobicContact CG2-CD1 4.42Å; I246-I250 WeakPolarHBondContact O-CG1 3.43Å; I246-I250 PolarHBondContact O-N 2.89Å; I246-I250 VanDerWaalsContact O-N 3.16Å; I246-K314 HydrophobicContact CG2-CB 4.34Å; I246-K314 HydrophobicContact CG2-CG 4.27Å; I246-A317 HydrophobicContact CG2-CB 3.87Å; I246-Y417 HydrophobicContact CD1-CD1 4.36Å; I246-T420 HydrophobicContact CD1-CG2 3.54Å; I246-T420 HydrophobicContact CG1-CG2 3.75Å; I246-T420 HydrophobicContact CG2-CG2 4.39Å; I246-V424 HydrophobicContact CG1-CG2 4.28Å
247T82Confident80.7Confident13 Ų1333.3 Ų33.38%0.0818%0.181CC..Hα-helixtrans-61.4-45178.4-53.50000111.4E243 S244 K245 L249 I250 Y251 M310 K314E243-T247 PolarHBondContact O-N 3.09Å; E243-T247 VanDerWaalsContact O-N 3.13Å; E243-T247 PolarHBondContact O-OG1 3.19Å; S244-T247 WeakPolarHBondContact O-CB 3.39Å; S244-T247 PolarHBondContact O-N 2.87Å; S244-T247 VanDerWaalsContact O-N 3.14Å; K245-T247 VanDerWaalsContact C-N 3.33Å; K245-T247 PolarHBondContact O-N 3.39Å; T247-L249 VanDerWaalsContact C-N 3.3Å; T247-L249 PolarHBondContact O-N 3.08Å; T247-I250 WeakPolarHBondContact O-CB 3.26Å; T247-I250 PolarHBondContact O-N 3.06Å; T247-Y251 HydrophobicContact CG2-CD1 4.47Å; T247-Y251 HydrophobicContact CG2-CD2 4.43Å; T247-Y251 HydrophobicContact CG2-CE1 3.8Å; T247-Y251 HydrophobicContact CG2-CE2 3.79Å; T247-Y251 VanDerWaalsContact CG2-CZ 3.44Å; T247-Y251 WeakPolarHBondContact O-CD1 3.4Å; T247-Y251 PolarHBondContact O-N 2.65Å; T247-M310 HydrophobicContact CG2-CE 3.83Å; T247-K314 WeakPolarHBondContact OG1-CE 3.13Å; T247-K314 PolarHBondContact OG1-NZ 2.85Å
248N82.4Confident81.8Confident15 Ų1528.7 Ų28.78%0.0816%0.156CC..Hα-helixtrans-64.8-35.5178.8-65.8-33.6000112L226 V229 L230 S244 K245 I246 I250 Y251 L252L226-N248 HydrophobicContact CD1-CB 3.65Å; L226-N248 VanDerWaalsContact CD1-O 3.31Å; L226-N248 WeakPolarHBondContact CD1-O 3.26Å; V229-N248 WeakPolarHBondContact CG1-ND2 3.48Å; L230-N248 HydrophobicContact CD2-CB 3.83Å; L230-N248 HydrophobicContact CG-CB 4.3Å; S244-N248 PolarHBondContact O-N 2.98Å; S244-N248 PolarHBondContact O-ND2 2.72Å; S244-N248 PolarHBondContact OG-ND2 3.06Å; K245-N248 PolarHBondContact O-N 2.87Å; I246-N248 PolarHBondContact O-N 3.37Å; N248-I250 VanDerWaalsContact C-N 3.34Å; N248-I250 PolarHBondContact O-N 3.07Å; N248-Y251 CarbonylContact O-C 3.54Å; N248-Y251 WeakPolarHBondContact O-CB 3.49Å; N248-Y251 PolarHBondContact O-N 3.44Å; N248-L252 WeakPolarHBondContact O-CB 3.43Å; N248-L252 PolarHBondContact O-N 2.98Å
249L84.6Confident82.8Confident3 Ų325.8 Ų25.82%0.01614%0.138CC..Hα-helixtrans-65.5-38.5175.4-170.672000111.9K245 I246 T247 Y251 L252 K253 I293 I297 V424 L427 L428 I431K245-L249 PolarHBondContact O-N 3.37Å; I246-L249 PolarHBondContact O-N 2.88Å; T247-L249 VanDerWaalsContact C-N 3.3Å; T247-L249 PolarHBondContact O-N 3.08Å; L249-Y251 VanDerWaalsContact C-N 3.3Å; L249-Y251 PolarHBondContact O-N 3.12Å; L249-L252 HydrophobicContact CD1-CD2 4.47Å; L249-L252 PolarHBondContact O-N 3.15Å; L249-K253 PolarHBondContact O-N 2.99Å; L249-I293 HydrophobicContact CD1-CD1 4.47Å; L249-I293 HydrophobicContact CD1-CG1 4.42Å; L249-I297 HydrophobicContact CB-CD1 4.37Å; L249-I297 HydrophobicContact CD1-CD1 4.38Å; L249-I297 HydrophobicContact CD2-CD1 3.22Å; L249-I297 HydrophobicContact CD2-CG1 3.96Å; L249-I297 HydrophobicContact CG-CD1 3.37Å; L249-V424 HydrophobicContact CB-CG1 4.4Å; L249-V424 HydrophobicContact CD2-CB 4.24Å; L249-V424 HydrophobicContact CD2-CG1 3.87Å; L249-V424 HydrophobicContact CD2-CG2 3.62Å; L249-L427 HydrophobicContact CD1-CD2 4.13Å; L249-L427 HydrophobicContact CD2-CD2 3.93Å; L249-L428 HydrophobicContact CD1-CD2 3.97Å; L249-I431 HydrophobicContact CD1-CD1 4.26Å
250I83.7Confident83.9Confident2 Ų228.2 Ų28.21%0.0115%0.145CC..Hα-helixtrans-63.1-39.4172-62.6166.8000110.5I246 T247 N248 K253 H254 A317I246-I250 HydrophobicContact CG2-CD1 4.42Å; I246-I250 WeakPolarHBondContact O-CG1 3.43Å; I246-I250 PolarHBondContact O-N 2.89Å; I246-I250 VanDerWaalsContact O-N 3.16Å; T247-I250 WeakPolarHBondContact O-CB 3.26Å; T247-I250 PolarHBondContact O-N 3.06Å; N248-I250 VanDerWaalsContact C-N 3.34Å; N248-I250 PolarHBondContact O-N 3.07Å; I250-K253 WeakPolarHBondContact O-CB 3.43Å; I250-K253 PolarHBondContact O-N 3.42Å; I250-H254 PolarHBondContact O-N 3.22Å; I250-A317 HydrophobicContact CD1-CB 4.3Å
251Y85.5Confident84.9Confident53 Ų5324.5 Ų24.521%0.20813%0.128CC..Hα-helixtrans-66.6-37.6175.5-65.1-9.4000112.6L221 L226 T247 N248 L249 H254 T255 Y303L221-Y251 HydrophobicContact CD1-CD1 3.72Å; L221-Y251 HydrophobicContact CD1-CD2 4.14Å; L221-Y251 HydrophobicContact CD1-CE1 4.15Å; L221-Y251 HydrophobicContact CD1-CE2 4.49Å; L221-Y251 HydrophobicContact CD1-CG 3.72Å; L226-Y251 HydrophobicContact CD1-CD2 4.5Å; T247-Y251 HydrophobicContact CG2-CD1 4.47Å; T247-Y251 HydrophobicContact CG2-CD2 4.43Å; T247-Y251 HydrophobicContact CG2-CE1 3.8Å; T247-Y251 HydrophobicContact CG2-CE2 3.79Å; T247-Y251 VanDerWaalsContact CG2-CZ 3.44Å; T247-Y251 WeakPolarHBondContact O-CD1 3.4Å; T247-Y251 PolarHBondContact O-N 2.65Å; N248-Y251 CarbonylContact O-C 3.54Å; N248-Y251 WeakPolarHBondContact O-CB 3.49Å; N248-Y251 PolarHBondContact O-N 3.44Å; L249-Y251 VanDerWaalsContact C-N 3.3Å; L249-Y251 PolarHBondContact O-N 3.12Å; Y251-H254 PolarHBondContact O-N 2.96Å; Y251-T255 WeakPolarHBondContact O-CB 3.43Å; Y251-T255 PolarHBondContact O-N 2.74Å; Y251-T255 PolarHBondContact O-OG1 3.07Å; Y251-Y303 HydrophobicContact CD1-CD2 4.24Å; Y251-Y303 AromaticContact CE1-CD2 3.34Å; Y251-Y303 HydrophobicContact CE1-CD2 3.34Å; Y251-Y303 AromaticContact CE1-CE2 3.66Å; Y251-Y303 HydrophobicContact CE1-CE2 3.66Å; Y251-Y303 HydrophobicContact CE1-CG 4.04Å; Y251-Y303 AromaticContact CZ-CE2 3.88Å; Y251-Y303 WeakPolarHBondContact OH-CE2 3.42Å
252L88.1Confident85.9Confident3 Ų323.6 Ų23.62%0.01612%0.12CC..Hα-helixtrans-63.3-44.6174.9-179.760.1000110.8L226 L230 N248 L249 H254 T255 L256 I293 I431 L438L226-L252 HydrophobicContact CD2-CB 4.29Å; L230-L252 HydrophobicContact CD1-CB 4.4Å; L230-L252 HydrophobicContact CD1-CD1 4.47Å; L230-L252 HydrophobicContact CD1-CD2 4.11Å; N248-L252 WeakPolarHBondContact O-CB 3.43Å; N248-L252 PolarHBondContact O-N 2.98Å; L249-L252 HydrophobicContact CD1-CD2 4.47Å; L249-L252 PolarHBondContact O-N 3.15Å; L252-H254 PolarHBondContact O-N 2.52Å; L252-T255 PolarHBondContact O-N 2.99Å; L252-L256 HydrophobicContact CD1-CD1 4.1Å; L252-L256 HydrophobicContact CD1-CG 4.27Å; L252-L256 HydrophobicContact CG-CD1 4.02Å; L252-L256 WeakPolarHBondContact O-CB 3.46Å; L252-L256 WeakPolarHBondContact O-CG 3.36Å; L252-L256 PolarHBondContact O-N 3.48Å; L252-I293 HydrophobicContact CD2-CD1 3.84Å; L252-I293 HydrophobicContact CG-CD1 3.89Å; L252-I431 HydrophobicContact CD2-CD1 4.29Å; L252-I431 HydrophobicContact CD2-CG2 4.33Å; L252-L438 HydrophobicContact CD1-CD1 3.59Å; L252-L438 HydrophobicContact CD1-CD2 4Å; L252-L438 HydrophobicContact CD1-CG 4.48Å
253K88.2Confident86.8Confident2 Ų225.2 Ų25.21%0.00913%0.127CC..Hα-helixtrans-54.5-53.6172.8-175.2-174.5163.9-161.90111.2L249 I250 T255 L256 E257 L290 I293 I297 N298 D299 A301L249-K253 PolarHBondContact O-N 2.99Å; I250-K253 WeakPolarHBondContact O-CB 3.43Å; I250-K253 PolarHBondContact O-N 3.42Å; K253-T255 VanDerWaalsContact C-N 3.33Å; K253-T255 PolarHBondContact O-N 3.14Å; K253-L256 PolarHBondContact O-N 2.96Å; K253-E257 WeakPolarHBondContact CE-OE1 3.47Å; K253-E257 WeakPolarHBondContact O-CG 3.04Å; K253-E257 PolarHBondContact O-N 3.45Å; K253-L290 HydrophobicContact CG-CD1 4.36Å; K253-I293 HydrophobicContact CB-CG2 3.78Å; K253-I293 HydrophobicContact CD-CG2 4.18Å; K253-I293 HydrophobicContact CG-CG2 3.84Å; K253-I297 HydrophobicContact CD-CG2 4.06Å; K253-N298 PolarHBondContact NZ-O 2.87Å; K253-D299 PolarHBondContact NZ-O 3.17Å; K253-A301 PolarHBondContact NZ-O 3.19Å
254H88.1Confident87.7Confident40 Ų4026.8 Ų26.819%0.18514%0.14CC..Hα-helixtrans-59.1-42.4179175.379.9000112.3R219 I250 Y251 L252 L256 E257 L258R219-H254 PolarHBondContact O-NE2 3.48Å; I250-H254 PolarHBondContact O-N 3.22Å; Y251-H254 PolarHBondContact O-N 2.96Å; L252-H254 PolarHBondContact O-N 2.52Å; H254-L256 PolarHBondContact O-N 2.95Å; H254-E257 PolarHBondContact O-N 3.23Å; H254-L258 WeakPolarHBondContact O-CG 3.44Å; H254-L258 PolarHBondContact O-N 3.25Å
255T89.2Confident88.4Confident4 Ų426.3 Ų26.33%0.02514%0.135CC..Hα-helixtrans-61.9-43.1177.8-58.20000111.4F220 T223 Y251 L252 K253 L258 L441F220-T255 HydrophobicContact CD1-CG2 3.99Å; F220-T255 HydrophobicContact CE1-CG2 3.8Å; T223-T255 HydrophobicContact CG2-CG2 3.65Å; Y251-T255 WeakPolarHBondContact O-CB 3.43Å; Y251-T255 PolarHBondContact O-N 2.74Å; Y251-T255 PolarHBondContact O-OG1 3.07Å; L252-T255 PolarHBondContact O-N 2.99Å; K253-T255 VanDerWaalsContact C-N 3.33Å; K253-T255 PolarHBondContact O-N 3.14Å; T255-L258 PolarHBondContact O-N 3.44Å; T255-L441 HydrophobicContact CG2-CD2 3.99Å
256L90.5Very high88.9Confident7 Ų725.9 Ų25.94%0.03713%0.133CC..Hα-helixtrans-69-35.2178.3-72.3168.3000112.7L252 K253 H254 L258 V259 F286 I289 L290 I293 L438L252-L256 HydrophobicContact CD1-CD1 4.1Å; L252-L256 HydrophobicContact CD1-CG 4.27Å; L252-L256 HydrophobicContact CG-CD1 4.02Å; L252-L256 WeakPolarHBondContact O-CB 3.46Å; L252-L256 WeakPolarHBondContact O-CG 3.36Å; L252-L256 PolarHBondContact O-N 3.48Å; K253-L256 PolarHBondContact O-N 2.96Å; H254-L256 PolarHBondContact O-N 2.95Å; L256-L258 PolarHBondContact O-N 2.68Å; L256-V259 WeakPolarHBondContact O-CB 3.37Å; L256-V259 PolarHBondContact O-N 3.44Å; L256-F286 HydrophobicContact CD2-CB 4.25Å; L256-F286 HydrophobicContact CD2-CD1 3.72Å; L256-F286 HydrophobicContact CD2-CG 4.45Å; L256-I289 HydrophobicContact CD1-CB 4.09Å; L256-I289 HydrophobicContact CD1-CG2 3.48Å; L256-I289 VanDerWaalsContact CD1-CG2 3.48Å; L256-L290 HydrophobicContact CB-CB 4.34Å; L256-L290 HydrophobicContact CB-CD1 4Å; L256-L290 HydrophobicContact CD1-CB 4.44Å; L256-I293 HydrophobicContact CD1-CD1 3.75Å; L256-L438 HydrophobicContact CD2-CD2 3.83Å
257E90.8Very high89.3Confident69 Ų6932.2 Ų32.232%0.32216%0.161SC..Hα-helixtrans-64.3-23.6173.5-72.7174.9174.800112.9K253 H254 P261 L290K253-E257 WeakPolarHBondContact CE-OE1 3.47Å; K253-E257 WeakPolarHBondContact O-CG 3.04Å; K253-E257 PolarHBondContact O-N 3.45Å; H254-E257 PolarHBondContact O-N 3.23Å; E257-P261 WeakPolarHBondContact O-CD 3.19Å; E257-L290 HydrophobicContact CG-CD1 4.05Å
258L91.4Very high89.6Confident1 Ų138.5 Ų38.51%0.00519%0.194CC..THydrogen-bonded Turntrans-83.7-12.8176-65.9174.8000114R219 F220 H254 T255 L256 P261 L262R219-L258 HydrophobicContact CB-CD1 3.84Å; R219-L258 HydrophobicContact CB-CD2 3.97Å; R219-L258 VanDerWaalsContact CZ-CD2 3.47Å; R219-L258 WeakPolarHBondContact O-CD1 3.36Å; F220-L258 HydrophobicContact CD1-CD1 4.38Å; F220-L258 HydrophobicContact CD2-CB 4.3Å; F220-L258 HydrophobicContact CD2-CD1 3.89Å; F220-L258 HydrophobicContact CE1-CB 4.19Å; F220-L258 HydrophobicContact CE2-CB 3.67Å; F220-L258 HydrophobicContact CE2-CD1 4.12Å; F220-L258 HydrophobicContact CG-CD1 4.05Å; F220-L258 HydrophobicContact CZ-CB 3.6Å; F220-L258 HydrophobicContact CZ-CD1 4.45Å; H254-L258 WeakPolarHBondContact O-CG 3.44Å; H254-L258 PolarHBondContact O-N 3.25Å; T255-L258 PolarHBondContact O-N 3.44Å; L256-L258 PolarHBondContact O-N 2.68Å; L258-P261 WeakPolarHBondContact O-CD 3.5Å; L258-L262 WeakPolarHBondContact O-CB 3.35Å; L258-L262 PolarHBondContact O-N 3.07Å; L258-L262 VanDerWaalsContact O-N 3.1Å
259V93Very high89.9Confident7 Ų738.3 Ų38.34%0.04219%0.193CC..Hα-helixtrans-64.1-43.2179.5175.50000111L256 L262 K263 L281 F286 L441L256-V259 WeakPolarHBondContact O-CB 3.37Å; L256-V259 PolarHBondContact O-N 3.44Å; V259-L262 PolarHBondContact O-N 3.37Å; V259-K263 WeakPolarHBondContact O-CB 3.4Å; V259-K263 PolarHBondContact O-N 2.95Å; V259-L281 HydrophobicContact CG1-CD2 4.19Å; V259-F286 HydrophobicContact CG1-CB 4.46Å; V259-F286 HydrophobicContact CG1-CD2 4.06Å; V259-F286 HydrophobicContact CG1-CG 4.21Å; V259-F286 HydrophobicContact CG2-CD1 4.48Å; V259-L441 HydrophobicContact CG2-CD1 4.01Å; V259-L441 HydrophobicContact CG2-CD2 3.69Å
260E92.3Very high90.1Very high112 Ų11241.7 Ų41.752%0.52322%0.217SC..Hα-helixtrans-66.5-48.4-179.1-173.863.3-15600112.5L262 K263 V264E260-L262 VanDerWaalsContact C-N 3.28Å; E260-L262 PolarHBondContact O-N 2.78Å; E260-K263 WeakPolarHBondContact O-CB 3.34Å; E260-K263 PolarHBondContact O-N 3.06Å; E260-V264 WeakPolarHBondContact O-CG2 3.38Å; E260-V264 PolarHBondContact O-N 2.88Å
261P93.4Very high90.6Very high45 Ų4542.1 Ų42.129%0.29222%0.22SC..Hα-helixtrans-53.6-42.5169.8-2733.4000113.5V216 E257 L258 V264 T265V216-P261 HydrophobicContact CG1-CB 4.29Å; V216-P261 HydrophobicContact CG2-CB 4.05Å; E257-P261 WeakPolarHBondContact O-CD 3.19Å; L258-P261 WeakPolarHBondContact O-CD 3.5Å; P261-V264 PolarHBondContact O-N 2.9Å; P261-T265 PolarHBondContact O-N 3.15Å; P261-T265 VanDerWaalsContact O-N 3.13Å; P261-T265 PolarHBondContact O-OG1 2.78Å
262L93.1Very high90.8Very high0 Ų043.3 Ų43.30%023%0.234CC..Hα-helixtrans-64.3-42.2178.8-174.763000111.7L213 V216 I217 F220 L258 V259 E260 T265 L266 L281 V445 L448L213-L262 HydrophobicContact CD2-CD1 3.68Å; V216-L262 HydrophobicContact CG1-CB 3.91Å; V216-L262 HydrophobicContact CG1-CD1 4.16Å; I217-L262 HydrophobicContact CG1-CD1 4.36Å; F220-L262 HydrophobicContact CE2-CD2 4.19Å; F220-L262 HydrophobicContact CZ-CD2 4.1Å; L258-L262 WeakPolarHBondContact O-CB 3.35Å; L258-L262 PolarHBondContact O-N 3.07Å; L258-L262 VanDerWaalsContact O-N 3.1Å; V259-L262 PolarHBondContact O-N 3.37Å; E260-L262 VanDerWaalsContact C-N 3.28Å; E260-L262 PolarHBondContact O-N 2.78Å; L262-T265 PolarHBondContact O-N 2.99Å; L262-L266 HydrophobicContact CD1-CD1 4.46Å; L262-L266 HydrophobicContact CG-CD1 4.3Å; L262-L266 WeakPolarHBondContact O-CG 3.46Å; L262-L266 PolarHBondContact O-N 2.96Å; L262-L281 HydrophobicContact CB-CD1 4.49Å; L262-L281 HydrophobicContact CD2-CD1 3.88Å; L262-L281 HydrophobicContact CD2-CD2 4.22Å; L262-L281 HydrophobicContact CG-CD1 3.86Å; L262-V445 HydrophobicContact CD2-CG2 4.1Å; L262-L448 HydrophobicContact CD1-CD1 4.29Å; L262-L448 HydrophobicContact CD2-CD1 4.46Å
263K93.3Very high91Very high39 Ų3944.6 Ų44.617%0.1724%0.241CC..Hα-helixtrans-61.2-45.1175.7178.3-178.5174.2170.50111.6V259 E260 T265 L266 K267 Y278 L281 E282V259-K263 WeakPolarHBondContact O-CB 3.4Å; V259-K263 PolarHBondContact O-N 2.95Å; E260-K263 WeakPolarHBondContact O-CB 3.34Å; E260-K263 PolarHBondContact O-N 3.06Å; K263-T265 VanDerWaalsContact C-N 3.33Å; K263-T265 PolarHBondContact O-N 2.92Å; K263-L266 PolarHBondContact O-N 3.42Å; K263-K267 PolarHBondContact O-N 3.1Å; K263-Y278 HydrophobicContact CD-CE2 4.42Å; K263-Y278 HydrophobicContact CG-CD2 4.01Å; K263-Y278 HydrophobicContact CG-CE2 3.56Å; K263-Y278 WeakPolarHBondContact O-CD2 3.3Å; K263-Y278 WeakPolarHBondContact O-CE2 3.43Å; K263-L281 HydrophobicContact CB-CB 4.43Å; K263-E282 HydrophobicContact CD-CG 4.47Å; K263-E282 WeakPolarHBondContact CE-OE1 3.49Å; K263-E282 IonicContact NZ-OE1 2.95Å; K263-E282 PolarHBondContact NZ-OE1 3.39Å
264V93Very high91.2Very high89 Ų8944.5 Ų44.554%0.53924%0.24SC..Hα-helixtrans-60.9-43.9179.5171.10000111E260 P261 L266 K267E260-V264 WeakPolarHBondContact O-CG2 3.38Å; E260-V264 PolarHBondContact O-N 2.88Å; P261-V264 PolarHBondContact O-N 2.9Å; V264-L266 VanDerWaalsContact C-N 3.3Å; V264-L266 PolarHBondContact O-N 3.41Å; V264-K267 VanDerWaalsContact O-CB 3.27Å; V264-K267 WeakPolarHBondContact O-CB 3.49Å; V264-K267 PolarHBondContact O-N 3.07Å
265T92.4Very high91.4Very high36 Ų3649.5 Ų49.522%0.22126%0.258CS..Hα-helixtrans-62.8-35.9178.2-52.40000112.5L209 L213 P261 L262 K263 K267L209-T265 HydrophobicContact CD1-CG2 4.11Å; L209-T265 WeakPolarHBondContact CD1-O 3.45Å; L213-T265 HydrophobicContact CB-CG2 4.48Å; L213-T265 HydrophobicContact CD2-CG2 3.75Å; L213-T265 HydrophobicContact CG-CG2 3.71Å; P261-T265 PolarHBondContact O-N 3.15Å; P261-T265 VanDerWaalsContact O-N 3.13Å; P261-T265 PolarHBondContact O-OG1 2.78Å; L262-T265 PolarHBondContact O-N 2.99Å; K263-T265 VanDerWaalsContact C-N 3.33Å; K263-T265 PolarHBondContact O-N 2.92Å; T265-K267 VanDerWaalsContact C-N 3.33Å; T265-K267 PolarHBondContact O-N 3.01Å
266L91.9Very high91.5Very high1 Ų152 Ų521%0.00528%0.279CS..THydrogen-bonded Turntrans-83.7-1.9-179.4-69.2171.4000114.6L213 L262 K263 V264 N268 C269 L274 Y278 L281 L448L213-L266 HydrophobicContact CD1-CD2 4.13Å; L213-L266 HydrophobicContact CD2-CD2 3.83Å; L213-L266 HydrophobicContact CD2-CG 4Å; L262-L266 HydrophobicContact CD1-CD1 4.46Å; L262-L266 HydrophobicContact CG-CD1 4.3Å; L262-L266 WeakPolarHBondContact O-CG 3.46Å; L262-L266 PolarHBondContact O-N 2.96Å; K263-L266 PolarHBondContact O-N 3.42Å; V264-L266 VanDerWaalsContact C-N 3.3Å; V264-L266 PolarHBondContact O-N 3.41Å; L266-N268 VanDerWaalsContact C-N 3.33Å; L266-N268 PolarHBondContact O-N 2.91Å; L266-C269 PolarHBondContact O-N 2.99Å; L266-C269 PolarHBondContact O-SG 3.3Å; L266-C269 VanDerWaalsContact O-SG 3.4Å; L266-L274 HydrophobicContact CD2-CB 4.45Å; L266-L274 HydrophobicContact CD2-CD2 4.25Å; L266-Y278 HydrophobicContact CB-CD2 4.14Å; L266-L281 HydrophobicContact CD1-CD1 3.65Å; L266-L448 HydrophobicContact CD1-CD1 4.01Å; L266-L448 HydrophobicContact CD2-CD2 4.45Å
267K89.4Confident91.5Very high136 Ų13653.3 Ų53.359%0.59128%0.284SS*.THydrogen-bonded Turntrans-63.1-35.9-170.2-174.5178.2178.4-178.60113.9K263 V264 T265 Y278K263-K267 PolarHBondContact O-N 3.1Å; V264-K267 VanDerWaalsContact O-CB 3.27Å; V264-K267 WeakPolarHBondContact O-CB 3.49Å; V264-K267 PolarHBondContact O-N 3.07Å; T265-K267 VanDerWaalsContact C-N 3.33Å; T265-K267 PolarHBondContact O-N 3.01Å; K267-Y278 HydrophobicContact CB-CE2 3.97Å; K267-Y278 HydrophobicContact CG-CE2 4.21Å
268N87.1Confident91.6Very high145 Ų14552.3 Ų52.378%0.77528%0.278SS*.THydrogen-bonded Turntrans-98.610.6-174.4-65.1-19.3000113.1L266L266-N268 VanDerWaalsContact C-N 3.33Å; L266-N268 PolarHBondContact O-N 2.91Å
269C89.8Confident91.5Very high10 Ų1054.2 Ų54.27%0.06830%0.297CS..  trans-69.5140.7-178.2-61.60000112.5E202 L266 L274 R275E202-C269 WeakPolarHBondContact OE1-CA 3.25Å; L266-C269 PolarHBondContact O-N 2.99Å; L266-C269 PolarHBondContact O-SG 3.3Å; L266-C269 VanDerWaalsContact O-SG 3.4Å; C269-L274 HydrophobicContact CB-CB 3.69Å; C269-L274 HydrophobicContact CB-CD1 4.09Å; C269-R275 WeakPolarHBondContact O-CD 3.34Å; C269-R275 VanDerWaalsContact O-CG 3.26Å; C269-R275 WeakPolarHBondContact O-CG 3.5Å
270S88.8Confident91.3Very high74 Ų7455.4 Ų55.452%0.51731%0.306SS..  trans-96.4-30-177.766.10000112.6E202 R275E202-S270 VanDerWaalsContact CD-OG 3.23Å; E202-S270 WeakPolarHBondContact OE1-CB 3.38Å; E202-S270 PolarHBondContact OE1-N 2.88Å; E202-S270 PolarHBondContact OE1-OG 3.46Å; S270-R275 PolarHBondContact O-NE 2.93Å; S270-R275 PolarHBondContact O-NH2 3.44Å
271T92.7Very high91.2Very high12 Ų1250.3 Ų50.37%0.07428%0.282CS..SBendtrans-72.2145.8-176.254.10000113.3D198 E202 L273 L274 R275D198-T271 HydrophobicContact CB-CG2 3.94Å; E202-T271 HydrophobicContact CB-CG2 3.92Å; E202-T271 WeakPolarHBondContact OE2-CB 3.43Å; E202-T271 WeakPolarHBondContact OE2-CG2 3.47Å; E202-T271 PolarHBondContact OE2-N 2.92Å; E202-T271 PolarHBondContact OE2-OG1 2.93Å; T271-L273 VanDerWaalsContact C-N 3.31Å; T271-L273 PolarHBondContact O-N 3.23Å; T271-L274 PolarHBondContact O-N 2.94Å; T271-L274 WeakPolarHBondContact OG1-CB 3.43Å; T271-L274 VanDerWaalsContact OG1-CG 3.25Å; T271-L274 WeakPolarHBondContact OG1-CG 3.41Å; T271-R275 WeakPolarHBondContact O-CB 3.3Å; T271-R275 WeakPolarHBondContact O-CG 3.48Å; T271-R275 PolarHBondContact O-N 3.27Å
272P91.1Very high91.1Very high77 Ų7752.9 Ų52.950%0.529%0.29SS..Hα-helixtrans-59.7-39.4-178.1-22.131.7000113.2R275 A276P272-R275 PolarHBondContact O-N 3.44Å; P272-A276 WeakPolarHBondContact O-CB 3.35Å; P272-A276 PolarHBondContact O-N 3.39Å
273L91.4Very high90.9Very high30 Ų3054.5 Ų54.516%0.15730%0.299CS..Hα-helixtrans-71.9-43.2-176.7-179.466.7000111.8M195 T271 R275 A276 Y277 L451M195-L273 HydrophobicContact CB-CB 4.48Å; T271-L273 VanDerWaalsContact C-N 3.31Å; T271-L273 PolarHBondContact O-N 3.23Å; L273-R275 VanDerWaalsContact C-N 3.34Å; L273-A276 WeakPolarHBondContact O-CB 3.47Å; L273-A276 PolarHBondContact O-N 3.1Å; L273-Y277 HydrophobicContact CD1-CE1 4.47Å; L273-Y277 HydrophobicContact CD1-CE2 3.88Å; L273-Y277 HydrophobicContact CD2-CE2 4.23Å; L273-Y277 HydrophobicContact CG-CD2 4.34Å; L273-Y277 HydrophobicContact CG-CE2 3.66Å; L273-Y277 VanDerWaalsContact O-CD2 3.31Å; L273-Y277 WeakPolarHBondContact O-CD2 3.44Å; L273-Y277 PolarHBondContact O-N 3.35Å; L273-L451 HydrophobicContact CD2-CD1 4.29Å
274L92.6Very high90.7Very high0 Ų059.1 Ų59.10%032%0.321CS..Hα-helixtrans-65.6-37.3173.6-64.2-173.7000111.9C199 E202 L209 L266 C269 T271 A276 Y277 Y278 L448C199-L274 HydrophobicContact CB-CG 4.43Å; E202-L274 WeakPolarHBondContact OE2-CD1 3.23Å; L209-L274 HydrophobicContact CD2-CD1 4.21Å; L266-L274 HydrophobicContact CD2-CB 4.45Å; L266-L274 HydrophobicContact CD2-CD2 4.25Å; C269-L274 HydrophobicContact CB-CB 3.69Å; C269-L274 HydrophobicContact CB-CD1 4.09Å; T271-L274 PolarHBondContact O-N 2.94Å; T271-L274 WeakPolarHBondContact OG1-CB 3.43Å; T271-L274 VanDerWaalsContact OG1-CG 3.25Å; T271-L274 WeakPolarHBondContact OG1-CG 3.41Å; L274-A276 VanDerWaalsContact C-N 3.35Å; L274-Y277 HydrophobicContact CD2-CD2 4.28Å; L274-Y277 PolarHBondContact O-N 3.22Å; L274-Y278 PolarHBondContact O-N 2.71Å; L274-L448 HydrophobicContact CD2-CD2 3.44Å; L274-L448 VanDerWaalsContact CD2-CD2 3.44Å
275R92.8Very high90.5Very high145 Ų14556.6 Ų56.655%0.54730%0.302SS..Hα-helixtrans-64.4-37.2172.8-76.7-168.2-87.3164.1-10.5112.8C269 S270 T271 P272 L273 Y277 Y278 G279C269-R275 WeakPolarHBondContact O-CD 3.34Å; C269-R275 VanDerWaalsContact O-CG 3.26Å; C269-R275 WeakPolarHBondContact O-CG 3.5Å; S270-R275 PolarHBondContact O-NE 2.93Å; S270-R275 PolarHBondContact O-NH2 3.44Å; T271-R275 WeakPolarHBondContact O-CB 3.3Å; T271-R275 WeakPolarHBondContact O-CG 3.48Å; T271-R275 PolarHBondContact O-N 3.27Å; P272-R275 PolarHBondContact O-N 3.44Å; L273-R275 VanDerWaalsContact C-N 3.34Å; R275-Y277 VanDerWaalsContact C-N 3.34Å; R275-Y278 WeakPolarHBondContact O-CB 3.32Å; R275-Y278 PolarHBondContact O-N 3.21Å; R275-G279 PolarHBondContact O-N 3.21Å
276A90.3Very high90.4Very high58 Ų5855.5 Ų55.548%0.47929%0.294SS..Hα-helixtrans-63.8-4017300000111.6P272 L273 L274 G279 S280P272-A276 WeakPolarHBondContact O-CB 3.35Å; P272-A276 PolarHBondContact O-N 3.39Å; L273-A276 WeakPolarHBondContact O-CB 3.47Å; L273-A276 PolarHBondContact O-N 3.1Å; L274-A276 VanDerWaalsContact C-N 3.35Å; A276-G279 PolarHBondContact O-N 3.4Å; A276-S280 PolarHBondContact O-N 2.92Å
277Y91.7Very high90.3Very high33 Ų3357 Ų5713%0.12931%0.31CS..Hα-helixtrans-65.9-42.3173.5-66.7-39.6000112.6L273 L274 R275 G279 S280 L281 T444 M447 L448L273-Y277 HydrophobicContact CD1-CE1 4.47Å; L273-Y277 HydrophobicContact CD1-CE2 3.88Å; L273-Y277 HydrophobicContact CD2-CE2 4.23Å; L273-Y277 HydrophobicContact CG-CD2 4.34Å; L273-Y277 HydrophobicContact CG-CE2 3.66Å; L273-Y277 VanDerWaalsContact O-CD2 3.31Å; L273-Y277 WeakPolarHBondContact O-CD2 3.44Å; L273-Y277 PolarHBondContact O-N 3.35Å; L274-Y277 HydrophobicContact CD2-CD2 4.28Å; L274-Y277 PolarHBondContact O-N 3.22Å; R275-Y277 VanDerWaalsContact C-N 3.34Å; Y277-G279 VanDerWaalsContact C-N 3.33Å; Y277-G279 PolarHBondContact O-N 3.09Å; Y277-S280 PolarHBondContact O-N 3.18Å; Y277-S280 VanDerWaalsContact O-N 3.16Å; Y277-L281 VanDerWaalsContact O-CG 3.27Å; Y277-L281 WeakPolarHBondContact O-CG 3.21Å; Y277-L281 PolarHBondContact O-N 3.49Å; Y277-T444 HydrophobicContact CD1-CG2 3.57Å; Y277-T444 HydrophobicContact CD2-CG2 4.45Å; Y277-T444 HydrophobicContact CE1-CG2 4.34Å; Y277-T444 HydrophobicContact CG-CG2 3.67Å; Y277-M447 HydrophobicContact CE2-CB 4.45Å; Y277-M447 HydrophobicContact CE2-CG 4.23Å; Y277-M447 VanDerWaalsContact OH-CG 3.27Å; Y277-M447 WeakPolarHBondContact OH-CG 3.44Å; Y277-L448 HydrophobicContact CD2-CD2 3.85Å; Y277-L448 HydrophobicContact CD2-CG 4.19Å; Y277-L448 HydrophobicContact CE2-CD2 4.35Å
278Y92.7Very high90.3Very high49 Ų4954.3 Ų54.319%0.19230%0.301CS..Hα-helixtrans-54.3-50.3171.3177.3-95.3000111.3K263 L266 K267 L274 R275 S280 L281 E282K263-Y278 HydrophobicContact CD-CE2 4.42Å; K263-Y278 HydrophobicContact CG-CD2 4.01Å; K263-Y278 HydrophobicContact CG-CE2 3.56Å; K263-Y278 WeakPolarHBondContact O-CD2 3.3Å; K263-Y278 WeakPolarHBondContact O-CE2 3.43Å; L266-Y278 HydrophobicContact CB-CD2 4.14Å; K267-Y278 HydrophobicContact CB-CE2 3.97Å; K267-Y278 HydrophobicContact CG-CE2 4.21Å; L274-Y278 PolarHBondContact O-N 2.71Å; R275-Y278 WeakPolarHBondContact O-CB 3.32Å; R275-Y278 PolarHBondContact O-N 3.21Å; Y278-S280 VanDerWaalsContact C-N 3.31Å; Y278-S280 PolarHBondContact O-N 2.73Å; Y278-L281 WeakPolarHBondContact O-CB 3.25Å; Y278-L281 PolarHBondContact O-N 2.98Å; Y278-E282 HydrophobicContact CD1-CG 4.2Å; Y278-E282 VanDerWaalsContact CE1-CD 3.48Å; Y278-E282 HydrophobicContact CE1-CG 3.9Å; Y278-E282 WeakPolarHBondContact O-CG 3.29Å; Y278-E282 PolarHBondContact O-N 2.98Å; Y278-E282 VanDerWaalsContact O-N 3.16Å; Y278-E282 PolarHBondContact OH-OE1 3.01Å
279G89.4Confident90.4Very high40 Ų4047.4 Ų47.441%0.41227%0.265SS..Hα-helixtrans-59.9-37.7176.800000113.4R275 A276 Y277 L281 E282R275-G279 PolarHBondContact O-N 3.21Å; A276-G279 PolarHBondContact O-N 3.4Å; Y277-G279 VanDerWaalsContact C-N 3.33Å; Y277-G279 PolarHBondContact O-N 3.09Å; G279-L281 VanDerWaalsContact C-N 3.28Å; G279-L281 PolarHBondContact O-N 3.17Å; G279-E282 PolarHBondContact O-N 3.13Å
280S88.3Confident90.4Very high32 Ų3248.1 Ų48.122%0.22427%0.268CS..Hα-helixtrans-67.8-27.1174.5-171.80000113.1A276 Y277 Y278A276-S280 PolarHBondContact O-N 2.92Å; Y277-S280 PolarHBondContact O-N 3.18Å; Y277-S280 VanDerWaalsContact O-N 3.16Å; Y278-S280 VanDerWaalsContact C-N 3.31Å; Y278-S280 PolarHBondContact O-N 2.73Å
281L90.2Very high90.4Very high6 Ų649.1 Ų49.13%0.03127%0.267CS..Hα-helixtrans-83.5-13.8177.2-64.6169.7000112.6V259 L262 K263 L266 Y277 Y278 G279 D283 L441V259-L281 HydrophobicContact CG1-CD2 4.19Å; L262-L281 HydrophobicContact CB-CD1 4.49Å; L262-L281 HydrophobicContact CD2-CD1 3.88Å; L262-L281 HydrophobicContact CD2-CD2 4.22Å; L262-L281 HydrophobicContact CG-CD1 3.86Å; K263-L281 HydrophobicContact CB-CB 4.43Å; L266-L281 HydrophobicContact CD1-CD1 3.65Å; Y277-L281 VanDerWaalsContact O-CG 3.27Å; Y277-L281 WeakPolarHBondContact O-CG 3.21Å; Y277-L281 PolarHBondContact O-N 3.49Å; Y278-L281 WeakPolarHBondContact O-CB 3.25Å; Y278-L281 PolarHBondContact O-N 2.98Å; G279-L281 VanDerWaalsContact C-N 3.28Å; G279-L281 PolarHBondContact O-N 3.17Å; L281-D283 PolarHBondContact O-N 3.38Å; L281-L441 HydrophobicContact CD2-CD1 3.5Å
282E90.7Very high90.1Very high99 Ų9951.4 Ų51.446%0.46328%0.276SS..THydrogen-bonded Turntrans-76.62174.4-57.5-146.9106.100114.2K263 Y278 G279 H284K263-E282 HydrophobicContact CD-CG 4.47Å; K263-E282 WeakPolarHBondContact CE-OE1 3.49Å; K263-E282 IonicContact NZ-OE1 2.95Å; K263-E282 PolarHBondContact NZ-OE1 3.39Å; Y278-E282 HydrophobicContact CD1-CG 4.2Å; Y278-E282 VanDerWaalsContact CE1-CD 3.48Å; Y278-E282 HydrophobicContact CE1-CG 3.9Å; Y278-E282 WeakPolarHBondContact O-CG 3.29Å; Y278-E282 PolarHBondContact O-N 2.98Å; Y278-E282 VanDerWaalsContact O-N 3.16Å; Y278-E282 PolarHBondContact OH-OE1 3.01Å; G279-E282 PolarHBondContact O-N 3.13Å; E282-H284 PolarHBondContact O-N 3.41Å; E282-H284 VanDerWaalsContact O-N 3.11Å
283D89.2Confident89.9Confident33 Ų3347.7 Ų47.718%0.17625%0.252CS..  trans-62.4114.5-178.7-166.1-25.1000111.7L281 R285 F286L281-D283 PolarHBondContact O-N 3.38Å; D283-R285 PolarHBondContact O-N 3.39Å; D283-R285 VanDerWaalsContact OD1-CB 3.32Å; D283-R285 WeakPolarHBondContact OD1-CB 3.25Å; D283-R285 VanDerWaalsContact OD1-CG 3.26Å; D283-R285 WeakPolarHBondContact OD1-CG 3.27Å; D283-R285 PolarHBondContact OD1-N 3.3Å; D283-R285 IonicContact OD1-NE 3.43Å; D283-R285 PolarHBondContact OD1-NE 2.6Å; D283-R285 IonicContact OD2-CZ 3.2Å; D283-R285 IonicContact OD2-NE 3.6Å; D283-R285 PolarHBondContact OD2-NE 3.48Å; D283-R285 IonicContact OD2-NH2 2.86Å; D283-R285 PolarHBondContact OD2-NH2 2.8Å; D283-F286 HydrophobicContact CB-CD2 3.94Å; D283-F286 HydrophobicContact CB-CE2 3.82Å; D283-F286 VanDerWaalsContact O-CD2 3.28Å; D283-F286 WeakPolarHBondContact O-CD2 3.18Å; D283-F286 PolarHBondContact O-N 3.37Å
284H89.8Confident89.6Confident137 Ų13749.5 Ų49.563%0.63426%0.259SS*.THydrogen-bonded Turntrans-52.5-23.6177.769.4-67.5000114.1E282 F286 G287 L288E282-H284 PolarHBondContact O-N 3.41Å; E282-H284 VanDerWaalsContact O-N 3.11Å; H284-F286 PolarHBondContact O-N 2.94Å; H284-G287 PolarHBondContact O-N 3.05Å; H284-L288 PolarHBondContact O-N 3.23Å; H284-L288 VanDerWaalsContact O-N 3.13Å
285R89.1Confident89.2Confident36 Ų3654 Ų5414%0.13629%0.286CS..Hα-helixtrans-58.8-31.9176.8-67.8-176.8-69-174-3112.9E89 D283 L288 I289 C437E89-R285 IonicContact OE1-CZ 2.72Å; E89-R285 IonicContact OE1-NH1 2.71Å; E89-R285 PolarHBondContact OE1-NH1 3.22Å; E89-R285 IonicContact OE1-NH2 3.21Å; E89-R285 PolarHBondContact OE1-NH2 3.39Å; D283-R285 PolarHBondContact O-N 3.39Å; D283-R285 VanDerWaalsContact OD1-CB 3.32Å; D283-R285 WeakPolarHBondContact OD1-CB 3.25Å; D283-R285 VanDerWaalsContact OD1-CG 3.26Å; D283-R285 WeakPolarHBondContact OD1-CG 3.27Å; D283-R285 PolarHBondContact OD1-N 3.3Å; D283-R285 IonicContact OD1-NE 3.43Å; D283-R285 PolarHBondContact OD1-NE 2.6Å; D283-R285 IonicContact OD2-CZ 3.2Å; D283-R285 IonicContact OD2-NE 3.6Å; D283-R285 PolarHBondContact OD2-NE 3.48Å; D283-R285 IonicContact OD2-NH2 2.86Å; D283-R285 PolarHBondContact OD2-NH2 2.8Å; R285-L288 PolarHBondContact O-N 3.13Å; R285-I289 VanDerWaalsContact O-CG1 3.25Å; R285-I289 WeakPolarHBondContact O-CG1 3.45Å; R285-I289 PolarHBondContact O-N 3.06Å; R285-C437 HydrophobicContact CB-CB 4.21Å
286F90.4Very high88.7Confident12 Ų1248.1 Ų48.15%0.05327%0.266CS..Hα-helixtrans-63.4-44176.8-64.7-59000112L256 V259 D283 H284 L290 C437 L438 L441L256-F286 HydrophobicContact CD2-CB 4.25Å; L256-F286 HydrophobicContact CD2-CD1 3.72Å; L256-F286 HydrophobicContact CD2-CG 4.45Å; V259-F286 HydrophobicContact CG1-CB 4.46Å; V259-F286 HydrophobicContact CG1-CD2 4.06Å; V259-F286 HydrophobicContact CG1-CG 4.21Å; V259-F286 HydrophobicContact CG2-CD1 4.48Å; D283-F286 HydrophobicContact CB-CD2 3.94Å; D283-F286 HydrophobicContact CB-CE2 3.82Å; D283-F286 VanDerWaalsContact O-CD2 3.28Å; D283-F286 WeakPolarHBondContact O-CD2 3.18Å; D283-F286 PolarHBondContact O-N 3.37Å; H284-F286 PolarHBondContact O-N 2.94Å; F286-L290 WeakPolarHBondContact O-CB 3.27Å; F286-L290 PolarHBondContact O-N 3.36Å; F286-C437 HydrophobicContact CD1-CB 4.34Å; F286-C437 HydrophobicContact CE1-CB 3.77Å; F286-C437 WeakPolarHBondContact CE1-O 3.42Å; F286-C437 HydrophobicContact CE2-CB 4.45Å; F286-C437 HydrophobicContact CZ-CB 3.83Å; F286-C437 VanDerWaalsContact CZ-O 3.29Å; F286-C437 WeakPolarHBondContact CZ-O 3.49Å; F286-L438 HydrophobicContact CD1-CD2 4.33Å; F286-L438 HydrophobicContact CE1-CD2 4.19Å; F286-L441 HydrophobicContact CE1-CB 3.94Å; F286-L441 HydrophobicContact CE1-CD2 4.08Å; F286-L441 HydrophobicContact CZ-CB 3.94Å
287G88.4Confident88.2Confident34 Ų3445.4 Ų45.435%0.35124%0.244SC..Hα-helixtrans-63.9-46175.800000111.9H284 I289 L290 D291H284-G287 PolarHBondContact O-N 3.05Å; G287-I289 PolarHBondContact O-N 3.49Å; G287-L290 PolarHBondContact O-N 3.36Å; G287-D291 WeakPolarHBondContact O-CB 3.44Å; G287-D291 PolarHBondContact O-N 3.03Å
288L89.9Confident87.5Confident78 Ų7846.4 Ų46.441%0.40825%0.251SS..Hα-helixtrans-57.3-45.7177.2-69.9174.9000112.6H284 R285 K292H284-L288 PolarHBondContact O-N 3.23Å; H284-L288 VanDerWaalsContact O-N 3.13Å; R285-L288 PolarHBondContact O-N 3.13Å; L288-K292 WeakPolarHBondContact O-CB 3.25Å; L288-K292 WeakPolarHBondContact O-CG 3.22Å; L288-K292 PolarHBondContact O-N 3.07Å; L288-K292 VanDerWaalsContact O-N 3.07Å
289I88.9Confident86.2Confident1 Ų147.7 Ų47.71%0.00526%0.262CS..Hα-helixtrans-65.9-44.1177.9-63.6165.6000110.1L256 R285 G287 D291 K292 I293 I431 H434L256-I289 HydrophobicContact CD1-CB 4.09Å; L256-I289 HydrophobicContact CD1-CG2 3.48Å; L256-I289 VanDerWaalsContact CD1-CG2 3.48Å; R285-I289 VanDerWaalsContact O-CG1 3.25Å; R285-I289 WeakPolarHBondContact O-CG1 3.45Å; R285-I289 PolarHBondContact O-N 3.06Å; G287-I289 PolarHBondContact O-N 3.49Å; I289-D291 PolarHBondContact O-N 3.2Å; I289-K292 PolarHBondContact O-N 2.81Å; I289-I293 HydrophobicContact CG2-CD1 3.73Å; I289-I293 HydrophobicContact CG2-CG1 4.37Å; I289-I293 WeakPolarHBondContact O-CB 3.4Å; I289-I293 VanDerWaalsContact O-CG1 3.25Å; I289-I293 WeakPolarHBondContact O-CG1 3.27Å; I289-I293 PolarHBondContact O-N 3Å; I289-I431 HydrophobicContact CG2-CD1 4.22Å; I289-I431 HydrophobicContact CG2-CG1 4.15Å; I289-I431 HydrophobicContact CG2-CG2 4.02Å; I289-H434 HydrophobicContact CD1-CB 3.87Å; I289-H434 HydrophobicContact CG1-CB 4.09Å
290L89.1Confident84.9Confident25 Ų2551 Ų5113%0.13127%0.27CS..Hα-helixtrans-63.5-41.7-179.6-177.761.4000111.9K253 L256 E257 F286 G287 I293 K294K253-L290 HydrophobicContact CG-CD1 4.36Å; L256-L290 HydrophobicContact CB-CB 4.34Å; L256-L290 HydrophobicContact CB-CD1 4Å; L256-L290 HydrophobicContact CD1-CB 4.44Å; E257-L290 HydrophobicContact CG-CD1 4.05Å; F286-L290 WeakPolarHBondContact O-CB 3.27Å; F286-L290 PolarHBondContact O-N 3.36Å; G287-L290 PolarHBondContact O-N 3.36Å; L290-I293 PolarHBondContact O-N 3.14Å; L290-K294 HydrophobicContact CD1-CD 4.5Å; L290-K294 HydrophobicContact CD1-CG 4.43Å; L290-K294 HydrophobicContact CG-CD 4.22Å; L290-K294 WeakPolarHBondContact O-CB 3.47Å; L290-K294 WeakPolarHBondContact O-CG 3.44Å; L290-K294 PolarHBondContact O-N 3.32Å
291D89.3Confident83.8Confident95 Ų9549.7 Ų49.751%0.50826%0.261SS..Hα-helixtrans-65.7-46.3178-72.3-19.5000110.9G287 I289 I293 K294 T295G287-D291 WeakPolarHBondContact O-CB 3.44Å; G287-D291 PolarHBondContact O-N 3.03Å; I289-D291 PolarHBondContact O-N 3.2Å; D291-I293 VanDerWaalsContact C-N 3.28Å; D291-I293 PolarHBondContact O-N 3.42Å; D291-K294 CarbonylContact O-C 3.59Å; D291-K294 PolarHBondContact O-N 3.26Å; D291-K294 VanDerWaalsContact O-N 3.12Å; D291-T295 WeakPolarHBondContact O-CG2 3.36Å; D291-T295 PolarHBondContact O-N 3.5Å
292K87.3Confident82.7Confident59 Ų5957.1 Ų57.126%0.25729%0.288SS..Hα-helixtrans-55.6-45.2172.7-76.4-172175.8-1520111.6L288 I289 T295 V296 L427 E430L288-K292 WeakPolarHBondContact O-CB 3.25Å; L288-K292 WeakPolarHBondContact O-CG 3.22Å; L288-K292 PolarHBondContact O-N 3.07Å; L288-K292 VanDerWaalsContact O-N 3.07Å; I289-K292 PolarHBondContact O-N 2.81Å; K292-T295 PolarHBondContact O-N 2.76Å; K292-T295 PolarHBondContact O-OG1 2.84Å; K292-V296 PolarHBondContact O-N 3.21Å; K292-L427 HydrophobicContact CB-CD1 4.16Å; K292-E430 IonicContact NZ-OE2 3.33Å; K292-E430 PolarHBondContact NZ-OE2 3.39Å
293I86.6Confident81.3Confident0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-62-45.8176.5-75.1172.6000111.1L249 L252 K253 L256 I289 L290 D291 T295 V296 I297 L427 I431L249-I293 HydrophobicContact CD1-CD1 4.47Å; L249-I293 HydrophobicContact CD1-CG1 4.42Å; L252-I293 HydrophobicContact CD2-CD1 3.84Å; L252-I293 HydrophobicContact CG-CD1 3.89Å; K253-I293 HydrophobicContact CB-CG2 3.78Å; K253-I293 HydrophobicContact CD-CG2 4.18Å; K253-I293 HydrophobicContact CG-CG2 3.84Å; L256-I293 HydrophobicContact CD1-CD1 3.75Å; I289-I293 HydrophobicContact CG2-CD1 3.73Å; I289-I293 HydrophobicContact CG2-CG1 4.37Å; I289-I293 WeakPolarHBondContact O-CB 3.4Å; I289-I293 VanDerWaalsContact O-CG1 3.25Å; I289-I293 WeakPolarHBondContact O-CG1 3.27Å; I289-I293 PolarHBondContact O-N 3Å; L290-I293 PolarHBondContact O-N 3.14Å; D291-I293 VanDerWaalsContact C-N 3.28Å; D291-I293 PolarHBondContact O-N 3.42Å; I293-T295 VanDerWaalsContact C-N 3.31Å; I293-T295 PolarHBondContact O-N 3.16Å; I293-V296 PolarHBondContact O-N 3.44Å; I293-V296 VanDerWaalsContact O-N 3.16Å; I293-I297 HydrophobicContact CG2-CB 4.33Å; I293-I297 HydrophobicContact CG2-CD1 3.61Å; I293-I297 HydrophobicContact CG2-CG1 4.23Å; I293-I297 WeakPolarHBondContact O-CB 3.3Å; I293-I297 PolarHBondContact O-N 2.96Å; I293-L427 HydrophobicContact CG1-CD2 4.37Å; I293-I431 HydrophobicContact CD1-CD1 4.08Å; I293-I431 HydrophobicContact CG1-CD1 3.89Å
294K85.3Confident80Confident68 Ų6858.9 Ų58.930%0.29629%0.294SS..Hα-helixtrans-64.9-31.8178-76.1176178.8174.80112.5L290 D291 V296 I297 R319L290-K294 HydrophobicContact CD1-CD 4.5Å; L290-K294 HydrophobicContact CD1-CG 4.43Å; L290-K294 HydrophobicContact CG-CD 4.22Å; L290-K294 WeakPolarHBondContact O-CB 3.47Å; L290-K294 WeakPolarHBondContact O-CG 3.44Å; L290-K294 PolarHBondContact O-N 3.32Å; D291-K294 CarbonylContact O-C 3.59Å; D291-K294 PolarHBondContact O-N 3.26Å; D291-K294 VanDerWaalsContact O-N 3.12Å; K294-V296 PolarHBondContact O-N 2.67Å; K294-I297 VanDerWaalsContact O-O 3.08Å; K294-R319 PolarHBondContact O-NE 2.98Å; K294-R319 PolarHBondContact O-NH1 3.06Å; K294-R319 PolarHBondContact O-NH2 3.46Å; K294-R319 VanDerWaalsContact O-NH2 3.07Å
295T84.6Confident78.1Confident94 Ų9460.9 Ų60.958%0.57730%0.3SS*.Hα-helixtrans-63.1-32.6174.865.20000112.5D291 K292 I293D291-T295 WeakPolarHBondContact O-CG2 3.36Å; D291-T295 PolarHBondContact O-N 3.5Å; K292-T295 PolarHBondContact O-N 2.76Å; K292-T295 PolarHBondContact O-OG1 2.84Å; I293-T295 VanDerWaalsContact C-N 3.31Å; I293-T295 PolarHBondContact O-N 3.16Å
296V81.1Confident76.2Confident21 Ų2161.1 Ų61.113%0.12731%0.314CS..Hα-helixtrans-98.1-36.9-174.8-179.80000112.8K292 I293 K294 V318 R319 I322 I423 L427K292-V296 PolarHBondContact O-N 3.21Å; I293-V296 PolarHBondContact O-N 3.44Å; I293-V296 VanDerWaalsContact O-N 3.16Å; K294-V296 PolarHBondContact O-N 2.67Å; V296-V318 HydrophobicContact CG1-CG1 4.41Å; V296-V318 HydrophobicContact CG1-CG2 4.41Å; V296-V318 CarbonylContact O-C 3.54Å; V296-V318 VanDerWaalsContact O-CA 3.31Å; V296-V318 WeakPolarHBondContact O-CA 3.48Å; V296-R319 PolarHBondContact O-N 3.43Å; V296-I322 HydrophobicContact CB-CD1 4.35Å; V296-I322 HydrophobicContact CG1-CD1 4.19Å; V296-I322 WeakPolarHBondContact O-CD1 3.4Å; V296-I423 HydrophobicContact CG1-CG2 3.73Å; V296-L427 HydrophobicContact CB-CD2 4Å; V296-L427 HydrophobicContact CG1-CD2 4.17Å; V296-L427 HydrophobicContact CG2-CD1 4.1Å; V296-L427 HydrophobicContact CG2-CD2 4.22Å
297I80.3Confident74.4Confident2 Ų265 Ų651%0.0134%0.342CS..BIsolated β-bridgetrans-100.2140.7-173.8-60.2-180000110.4L249 K253 I293 K294 A301 A317 R319L249-I297 HydrophobicContact CB-CD1 4.37Å; L249-I297 HydrophobicContact CD1-CD1 4.38Å; L249-I297 HydrophobicContact CD2-CD1 3.22Å; L249-I297 HydrophobicContact CD2-CG1 3.96Å; L249-I297 HydrophobicContact CG-CD1 3.37Å; K253-I297 HydrophobicContact CD-CG2 4.06Å; I293-I297 HydrophobicContact CG2-CB 4.33Å; I293-I297 HydrophobicContact CG2-CD1 3.61Å; I293-I297 HydrophobicContact CG2-CG1 4.23Å; I293-I297 WeakPolarHBondContact O-CB 3.3Å; I293-I297 PolarHBondContact O-N 2.96Å; K294-I297 VanDerWaalsContact O-O 3.08Å; I297-A301 HydrophobicContact CG2-CB 3.6Å; I297-A317 CarbonylContact C-O 3.19Å; I297-A317 VanDerWaalsContact CA-O 3.23Å; I297-A317 WeakPolarHBondContact CA-O 3.39Å; I297-A317 VanDerWaalsContact CG2-O 3.25Å; I297-A317 WeakPolarHBondContact CG2-O 3.36Å; I297-R319 PolarHBondContact O-NE 3.37Å
298N77Confident72.9Confident53 Ų5367.3 Ų67.328%0.28335%0.346SS..  trans-66.1144.2176.9-159.60.7000111.5K253 D300 A301 A317 R319K253-N298 PolarHBondContact NZ-O 2.87Å; N298-D300 PolarHBondContact O-N 3.47Å; N298-A301 VanDerWaalsContact O-CB 3.24Å; N298-A301 WeakPolarHBondContact O-CB 3.24Å; N298-A301 PolarHBondContact O-N 2.81Å; N298-A301 VanDerWaalsContact O-N 3.07Å; N298-A317 PolarHBondContact N-O 3.43Å; N298-R319 HydrophobicContact CB-CG 4.22Å
299D64.4Low71.5Confident77 Ų7766.8 Ų66.841%0.41234%0.343SS..THydrogen-bonded Turntrans-66.5-31.3-177.3-68.8-22.9000111.3K253 A301 R319K253-D299 PolarHBondContact NZ-O 3.17Å; D299-A301 PolarHBondContact O-N 3.39Å; D299-R319 IonicContact OD1-NH2 2.87Å; D299-R319 PolarHBondContact OD1-NH2 3.42Å; D299-R319 IonicContact OD2-NH2 3.04Å; D299-R319 PolarHBondContact OD2-NH2 3.43Å
300D63.9Low70.4Confident110 Ų11067.8 Ų67.859%0.58835%0.348SS*.THydrogen-bonded Turntrans-73.4-11.1175.8-61.9-35000114.1N298 R302 Q313N298-D300 PolarHBondContact O-N 3.47Å; D300-R302 VanDerWaalsContact C-N 3.33Å; D300-R302 PolarHBondContact O-N 3.21Å; D300-Q313 PolarHBondContact O-NE2 3.41Å; D300-Q313 VanDerWaalsContact O-NE2 3.15Å; D300-Q313 PolarHBondContact O-OE1 3.06Å
301A63.9Low69.3Low3 Ų368.3 Ų68.33%0.02535%0.349CS..  trans-69.290.4173.200000110K253 I297 N298 D299 Q313K253-A301 PolarHBondContact NZ-O 3.19Å; I297-A301 HydrophobicContact CG2-CB 3.6Å; N298-A301 VanDerWaalsContact O-CB 3.24Å; N298-A301 WeakPolarHBondContact O-CB 3.24Å; N298-A301 PolarHBondContact O-N 2.81Å; N298-A301 VanDerWaalsContact O-N 3.07Å; D299-A301 PolarHBondContact O-N 3.39Å; A301-Q313 VanDerWaalsContact CA-OE1 3.25Å
302R66.6Low68.1Low162 Ų16266.9 Ų66.961%0.61134%0.343SS*.  trans-120.4151.4179.7-65.3-174.4-177.5-175.71.3110.7D300 M304D300-R302 VanDerWaalsContact C-N 3.33Å; D300-R302 PolarHBondContact O-N 3.21Å; R302-M304 PolarHBondContact O-N 3.2Å
303Y61.7Low67Low83 Ų8365.6 Ų65.633%0.32534%0.338SS..  trans-65.6118.8169.8178-117.6000110.2Y251 K305 M310Y251-Y303 HydrophobicContact CD1-CD2 4.24Å; Y251-Y303 AromaticContact CE1-CD2 3.34Å; Y251-Y303 HydrophobicContact CE1-CD2 3.34Å; Y251-Y303 AromaticContact CE1-CE2 3.66Å; Y251-Y303 HydrophobicContact CE1-CE2 3.66Å; Y251-Y303 HydrophobicContact CE1-CG 4.04Å; Y251-Y303 AromaticContact CZ-CE2 3.88Å; Y251-Y303 WeakPolarHBondContact OH-CE2 3.42Å; Y303-K305 HydrophobicContact CE1-CG 4.38Å; Y303-M310 HydrophobicContact CD2-CE 4.42Å; Y303-M310 HydrophobicContact CD2-SD 3.89Å; Y303-M310 HydrophobicContact CE2-SD 4.24Å
304M62.4Low65.9Low87 Ų8766.6 Ų66.643%0.42934%0.343SS..  trans-130.3132.1175.3-68.8-178.276.100109.7R302 G306 N309 M310R302-M304 PolarHBondContact O-N 3.2Å; M304-G306 PolarHBondContact O-N 3.43Å; M304-N309 HydrophobicContact CB-CB 4.16Å; M304-M310 VanDerWaalsContact O-CG 3.28Å; M304-M310 WeakPolarHBondContact O-CG 3.49Å; M304-M310 VanDerWaalsContact O-SD 3.35Å
305K50.3Low64.9Low178 Ų17863.4 Ų63.477%0.77433%0.328SS*.SBendtrans-68128.2176-70.3-177.9177.81780109.8Y303Y303-K305 HydrophobicContact CE1-CG 4.38Å
306G49Very low64.2Low42 Ų4262.6 Ų62.643%0.43332%0.315SS..SBendtrans133138.2175.400000113.9M304 L308 N309 M310M304-G306 PolarHBondContact O-N 3.43Å; G306-L308 PolarHBondContact O-N 3.03Å; G306-N309 PolarHBondContact O-N 2.86Å; G306-M310 WeakPolarHBondContact O-CB 3.4Å; G306-M310 PolarHBondContact O-N 2.86Å
307C53.3Low63.9Low94 Ų9461.8 Ų61.864%0.63531%0.311SS*.Hα-helixtrans-63.6-41.4-173.1-60.20000113.7R311C307-R311 WeakPolarHBondContact O-CB 3.36Å; C307-R311 PolarHBondContact O-N 3.41Å; C307-R311 VanDerWaalsContact O-N 3.13Å
308L56.2Low63.8Low81 Ų8161.8 Ų61.842%0.42431%0.311SS..Hα-helixtrans-69.2-47178.3-165.293.8000110.7G306 M310 R311 T312 F359G306-L308 PolarHBondContact O-N 3.03Å; L308-M310 PolarHBondContact O-N 2.8Å; L308-R311 WeakPolarHBondContact O-CB 3.36Å; L308-R311 PolarHBondContact O-N 2.94Å; L308-R311 VanDerWaalsContact O-N 3.08Å; L308-T312 PolarHBondContact O-N 2.93Å; L308-T312 PolarHBondContact O-OG1 3.13Å; L308-T312 VanDerWaalsContact O-OG1 3.1Å; L308-F359 HydrophobicContact CD1-CB 3.58Å; L308-F359 HydrophobicContact CD1-CD1 3.68Å; L308-F359 HydrophobicContact CD1-CG 3.68Å
309N61.3Low63.8Low67 Ų6763 Ų6336%0.35831%0.312SS..Hα-helixtrans-60.4-45.4-179.8-64.2-14.7000111.1M304 G306 R311 T312 Q313M304-N309 HydrophobicContact CB-CB 4.16Å; G306-N309 PolarHBondContact O-N 2.86Å; N309-R311 VanDerWaalsContact C-N 3.33Å; N309-R311 PolarHBondContact O-N 2.74Å; N309-T312 PolarHBondContact O-N 2.96Å; N309-Q313 WeakPolarHBondContact O-CB 3.4Å; N309-Q313 WeakPolarHBondContact O-CG 3.25Å; N309-Q313 PolarHBondContact O-N 3.21Å
310M64.4Low64.1Low22 Ų2262.9 Ų62.911%0.10832%0.317CS..Hα-helixtrans-64.2-35.9175.1-76.4-58.7-61.300112.7T247 Y303 M304 G306 L308 Q313 K314T247-M310 HydrophobicContact CG2-CE 3.83Å; Y303-M310 HydrophobicContact CD2-CE 4.42Å; Y303-M310 HydrophobicContact CD2-SD 3.89Å; Y303-M310 HydrophobicContact CE2-SD 4.24Å; M304-M310 VanDerWaalsContact O-CG 3.28Å; M304-M310 WeakPolarHBondContact O-CG 3.49Å; M304-M310 VanDerWaalsContact O-SD 3.35Å; G306-M310 WeakPolarHBondContact O-CB 3.4Å; G306-M310 PolarHBondContact O-N 2.86Å; L308-M310 PolarHBondContact O-N 2.8Å; M310-Q313 PolarHBondContact O-N 3.47Å; M310-K314 WeakPolarHBondContact O-CB 3.42Å; M310-K314 WeakPolarHBondContact O-CG 3.05Å; M310-K314 PolarHBondContact O-N 2.94Å
311R65.6Low64.6Low37 Ų3764.9 Ų64.914%0.1433%0.328CS..Hα-helixtrans-64.9-47.4176.3-165.5-176.3-165-173.58.2111.1C307 L308 N309 Q313 K314 C315 Y417C307-R311 WeakPolarHBondContact O-CB 3.36Å; C307-R311 PolarHBondContact O-N 3.41Å; C307-R311 VanDerWaalsContact O-N 3.13Å; L308-R311 WeakPolarHBondContact O-CB 3.36Å; L308-R311 PolarHBondContact O-N 2.94Å; L308-R311 VanDerWaalsContact O-N 3.08Å; N309-R311 VanDerWaalsContact C-N 3.33Å; N309-R311 PolarHBondContact O-N 2.74Å; R311-Q313 VanDerWaalsContact C-N 3.34Å; R311-Q313 PolarHBondContact O-N 3.43Å; R311-K314 PolarHBondContact O-N 3.1Å; R311-C315 PolarHBondContact O-N 3.47Å; R311-C315 PolarHBondContact O-SG 2.96Å; R311-Y417 WeakPolarHBondContact CG-OH 3.45Å
312T64.3Low65.3Low64 Ų6468.2 Ų68.239%0.39334%0.344SS..Hα-helixtrans-60.5-45.6176.3-530000110.9L308 N309 K314 C315 Y316L308-T312 PolarHBondContact O-N 2.93Å; L308-T312 PolarHBondContact O-OG1 3.13Å; L308-T312 VanDerWaalsContact O-OG1 3.1Å; N309-T312 PolarHBondContact O-N 2.96Å; T312-K314 VanDerWaalsContact C-N 3.3Å; T312-K314 PolarHBondContact O-N 3.11Å; T312-C315 PolarHBondContact O-N 2.93Å; T312-Y316 HydrophobicContact CG2-CD2 3.84Å; T312-Y316 HydrophobicContact CG2-CE2 4.11Å; T312-Y316 VanDerWaalsContact O-CD2 3.28Å; T312-Y316 WeakPolarHBondContact O-CD2 3.34Å; T312-Y316 PolarHBondContact O-N 2.88Å
313Q64.9Low66Low32 Ų3261.8 Ų61.815%0.1532%0.324CS..Hα-helixtrans-62.7-34.7177.9-68.8-64.8-1.800112.7D300 A301 N309 M310 R311 A317D300-Q313 PolarHBondContact O-NE2 3.41Å; D300-Q313 VanDerWaalsContact O-NE2 3.15Å; D300-Q313 PolarHBondContact O-OE1 3.06Å; A301-Q313 VanDerWaalsContact CA-OE1 3.25Å; N309-Q313 WeakPolarHBondContact O-CB 3.4Å; N309-Q313 WeakPolarHBondContact O-CG 3.25Å; N309-Q313 PolarHBondContact O-N 3.21Å; M310-Q313 PolarHBondContact O-N 3.47Å; R311-Q313 VanDerWaalsContact C-N 3.34Å; R311-Q313 PolarHBondContact O-N 3.43Å; Q313-A317 VanDerWaalsContact O-CA 3.32Å; Q313-A317 WeakPolarHBondContact O-CA 3.23Å; Q313-A317 WeakPolarHBondContact O-CB 3.4Å; Q313-A317 PolarHBondContact O-N 3.4Å
314K63.7Low67Low22 Ų2265.3 Ų65.310%0.09634%0.344CS..Hα-helixtrans-70.3-39.8174.2-70.9174-156-164.40112.7E243 I246 T247 M310 R311 T312 Y316 Y417E243-K314 HydrophobicContact CG-CD 3.57Å; E243-K314 VanDerWaalsContact CG-NZ 3.35Å; E243-K314 IonicContact OE1-NZ 2.82Å; E243-K314 PolarHBondContact OE1-NZ 3.24Å; I246-K314 HydrophobicContact CG2-CB 4.34Å; I246-K314 HydrophobicContact CG2-CG 4.27Å; T247-K314 WeakPolarHBondContact OG1-CE 3.13Å; T247-K314 PolarHBondContact OG1-NZ 2.85Å; M310-K314 WeakPolarHBondContact O-CB 3.42Å; M310-K314 WeakPolarHBondContact O-CG 3.05Å; M310-K314 PolarHBondContact O-N 2.94Å; R311-K314 PolarHBondContact O-N 3.1Å; T312-K314 VanDerWaalsContact C-N 3.3Å; T312-K314 PolarHBondContact O-N 3.11Å; K314-Y316 VanDerWaalsContact C-N 3.34Å; K314-Y417 HydrophobicContact CB-CE1 3.83Å
315C64.2Low68Low0 Ų068.4 Ų68.40%036%0.355CS..Hα-helixtrans-64.2-40.9179-65.30000111.9R311 T312 R330 L413R311-C315 PolarHBondContact O-N 3.47Å; R311-C315 PolarHBondContact O-SG 2.96Å; T312-C315 PolarHBondContact O-N 2.93Å; C315-R330 VanDerWaalsContact O-CZ 3.32Å; C315-R330 PolarHBondContact O-NE 3.28Å; C315-R330 PolarHBondContact O-NH2 2.87Å; C315-L413 WeakPolarHBondContact SG-CD2 3.48Å
316Y70.7Confident69.6Low77 Ų7760 Ų6030%0.30232%0.318SS..THydrogen-bonded Turntrans-103.517.4-176.1-61.4-73.2000113.3T312 K314 V318 R330 T334T312-Y316 HydrophobicContact CG2-CD2 3.84Å; T312-Y316 HydrophobicContact CG2-CE2 4.11Å; T312-Y316 VanDerWaalsContact O-CD2 3.28Å; T312-Y316 WeakPolarHBondContact O-CD2 3.34Å; T312-Y316 PolarHBondContact O-N 2.88Å; K314-Y316 VanDerWaalsContact C-N 3.34Å; Y316-V318 PolarHBondContact O-N 3.14Å; Y316-R330 HydrophobicContact CE1-CB 4.3Å; Y316-R330 HydrophobicContact CE1-CG 4.27Å; Y316-T334 PolarHBondContact OH-OG1 2.68Å
317A73Confident71.3Confident4 Ų458.9 Ų58.93%0.03330%0.303CS..  trans-59-47.4-178.300000111.6I246 I250 I297 N298 Q313I246-A317 HydrophobicContact CG2-CB 3.87Å; I250-A317 HydrophobicContact CD1-CB 4.3Å; I297-A317 CarbonylContact C-O 3.19Å; I297-A317 VanDerWaalsContact CA-O 3.23Å; I297-A317 WeakPolarHBondContact CA-O 3.39Å; I297-A317 VanDerWaalsContact CG2-O 3.25Å; I297-A317 WeakPolarHBondContact CG2-O 3.36Å; N298-A317 PolarHBondContact N-O 3.43Å; Q313-A317 VanDerWaalsContact O-CA 3.32Å; Q313-A317 WeakPolarHBondContact O-CA 3.23Å; Q313-A317 WeakPolarHBondContact O-CB 3.4Å; Q313-A317 PolarHBondContact O-N 3.4Å
318V78.1Confident72.8Confident2 Ų258.9 Ų58.91%0.01230%0.295CS..BIsolated β-bridgetrans-81.2137.8179.8173.80000110.6V296 Y316 I322 L326 R330 T420 I423V296-V318 HydrophobicContact CG1-CG1 4.41Å; V296-V318 HydrophobicContact CG1-CG2 4.41Å; V296-V318 CarbonylContact O-C 3.54Å; V296-V318 VanDerWaalsContact O-CA 3.31Å; V296-V318 WeakPolarHBondContact O-CA 3.48Å; Y316-V318 PolarHBondContact O-N 3.14Å; V318-I322 HydrophobicContact CG1-CB 4.06Å; V318-I322 HydrophobicContact CG1-CD1 3.67Å; V318-I322 HydrophobicContact CG1-CG1 4.43Å; V318-I322 HydrophobicContact CG1-CG2 4.2Å; V318-L326 HydrophobicContact CB-CD2 3.94Å; V318-L326 HydrophobicContact CG1-CD2 3.95Å; V318-R330 VanDerWaalsContact O-CZ 3.22Å; V318-R330 PolarHBondContact O-NH1 3.36Å; V318-R330 PolarHBondContact O-NH2 3.04Å; V318-T420 HydrophobicContact CG2-CG2 3.7Å; V318-I423 HydrophobicContact CG1-CD1 4.22Å; V318-I423 HydrophobicContact CG1-CG2 4.38Å; V318-I423 HydrophobicContact CG2-CG2 4.4Å
319R77.3Confident74.1Confident79 Ų7955.5 Ų55.530%0.29828%0.279SS..PPolyproline II helixtrans-59.7149.8177.5-67.6-177.1175.5-163.9-5.2111.6K294 V296 I297 N298 D299 I322K294-R319 PolarHBondContact O-NE 2.98Å; K294-R319 PolarHBondContact O-NH1 3.06Å; K294-R319 PolarHBondContact O-NH2 3.46Å; K294-R319 VanDerWaalsContact O-NH2 3.07Å; V296-R319 PolarHBondContact O-N 3.43Å; I297-R319 PolarHBondContact O-NE 3.37Å; N298-R319 HydrophobicContact CB-CG 4.22Å; D299-R319 IonicContact OD1-NH2 2.87Å; D299-R319 PolarHBondContact OD1-NH2 3.42Å; D299-R319 IonicContact OD2-NH2 3.04Å; D299-R319 PolarHBondContact OD2-NH2 3.43Å; R319-I322 HydrophobicContact CB-CD1 3.74Å; R319-I322 HydrophobicContact CB-CG1 4.38Å
320S72.4Confident75.2Confident75 Ų7552.8 Ų52.852%0.52426%0.264SS..THydrogen-bonded Turntrans-62.3152.2169-51.60000110.4I322S320-I322 VanDerWaalsContact C-N 3.33Å; S320-I322 PolarHBondContact O-N 3.36Å
321N73.6Confident76.3Confident152 Ų15259.9 Ų59.981%0.81329%0.289SS*.THydrogen-bonded Turntrans73.77.9-178.8-48.4-38.3000116.3D327N321-D327 PolarHBondContact N-OD2 3.41Å
322I78.4Confident77.2Confident72 Ų7260.8 Ų60.837%0.36930%0.299SS..SBendtrans-83.6-35.7171.4-67171.7000111.2V296 V318 R319 S320 I423V296-I322 HydrophobicContact CB-CD1 4.35Å; V296-I322 HydrophobicContact CG1-CD1 4.19Å; V296-I322 WeakPolarHBondContact O-CD1 3.4Å; V318-I322 HydrophobicContact CG1-CB 4.06Å; V318-I322 HydrophobicContact CG1-CD1 3.67Å; V318-I322 HydrophobicContact CG1-CG1 4.43Å; V318-I322 HydrophobicContact CG1-CG2 4.2Å; R319-I322 HydrophobicContact CB-CD1 3.74Å; R319-I322 HydrophobicContact CB-CG1 4.38Å; S320-I322 VanDerWaalsContact C-N 3.33Å; S320-I322 PolarHBondContact O-N 3.36Å; I322-I423 HydrophobicContact CG2-CD1 4.29Å; I322-I423 HydrophobicContact CG2-CG2 4.26Å
323S81.2Confident78.3Confident27 Ų2758.6 Ų58.619%0.18928%0.284CS..  trans-144.4113.3177.7172.50000109.1F325 L326 D327S323-F325 PolarHBondContact O-N 2.95Å; S323-L326 PolarHBondContact O-N 3.38Å; S323-L326 VanDerWaalsContact O-N 3.09Å; S323-L326 PolarHBondContact OG-N 2.57Å; S323-D327 PolarHBondContact O-N 2.92Å; S323-D327 VanDerWaalsContact O-N 3.08Å
324E81.9Confident79.3Confident158 Ų15859.5 Ų59.574%0.73829%0.291SS*.Hα-helixtrans-57.3-39.4177-63.7-176.7169.900111.1L326 D327 I328E324-L326 PolarHBondContact O-N 3.23Å; E324-D327 PolarHBondContact O-N 3.04Å; E324-I328 WeakPolarHBondContact O-CD1 3.31Å; E324-I328 VanDerWaalsContact O-CG1 3.24Å; E324-I328 WeakPolarHBondContact O-CG1 3.41Å; E324-I328 PolarHBondContact O-N 2.92Å
325F83.4Confident80.4Confident151 Ų15163.9 Ų63.966%0.66231%0.312SS*.Hα-helixtrans-64.2-38.5177.6-60.6-76.4000112.3S323 D327 I328 A329 M419S323-F325 PolarHBondContact O-N 2.95Å; F325-D327 VanDerWaalsContact C-N 3.35Å; F325-I328 PolarHBondContact O-N 2.86Å; F325-A329 PolarHBondContact O-N 3.23Å; F325-M419 HydrophobicContact CB-CE 3.2Å; F325-M419 HydrophobicContact CG-CE 4.43Å
326L84.8Confident81.4Confident1 Ų165 Ų651%0.00532%0.318CS..Hα-helixtrans-67-39.9177.1-179.963.4000111V318 S323 E324 A329 R330 I416 M419 I423V318-L326 HydrophobicContact CB-CD2 3.94Å; V318-L326 HydrophobicContact CG1-CD2 3.95Å; S323-L326 PolarHBondContact O-N 3.38Å; S323-L326 VanDerWaalsContact O-N 3.09Å; S323-L326 PolarHBondContact OG-N 2.57Å; E324-L326 PolarHBondContact O-N 3.23Å; L326-A329 PolarHBondContact O-N 3.13Å; L326-R330 VanDerWaalsContact O-CG 3.29Å; L326-R330 WeakPolarHBondContact O-CG 3.36Å; L326-R330 PolarHBondContact O-N 3.37Å; L326-I416 HydrophobicContact CD1-CB 4.49Å; L326-I416 HydrophobicContact CD1-CG2 4.06Å; L326-M419 HydrophobicContact CD1-CB 4.15Å; L326-I423 HydrophobicContact CD2-CD1 4.04Å
327D83.9Confident82.2Confident20 Ų2063.1 Ų63.111%0.10731%0.314CS..Hα-helixtrans-68.9-35.5178.7-69.5-28.4000111.9N321 S323 E324 F325 R330 R331N321-D327 PolarHBondContact N-OD2 3.41Å; S323-D327 PolarHBondContact O-N 2.92Å; S323-D327 VanDerWaalsContact O-N 3.08Å; E324-D327 PolarHBondContact O-N 3.04Å; F325-D327 VanDerWaalsContact C-N 3.35Å; D327-R330 PolarHBondContact O-N 2.76Å; D327-R330 IonicContact OD1-NH1 2.77Å; D327-R330 PolarHBondContact OD1-NH1 3.06Å; D327-R331 WeakPolarHBondContact O-CG 3.47Å; D327-R331 PolarHBondContact O-N 2.88Å
328I85.2Confident82.8Confident94 Ų9467.8 Ų67.848%0.48234%0.339SS..Hα-helixtrans-61.6-50.2170.6-67.3162.3000110.2E324 F325 R330 R331 T332E324-I328 WeakPolarHBondContact O-CD1 3.31Å; E324-I328 VanDerWaalsContact O-CG1 3.24Å; E324-I328 WeakPolarHBondContact O-CG1 3.41Å; E324-I328 PolarHBondContact O-N 2.92Å; F325-I328 PolarHBondContact O-N 2.86Å; I328-R330 VanDerWaalsContact C-N 3.28Å; I328-R330 PolarHBondContact O-N 3.12Å; I328-R331 WeakPolarHBondContact O-CB 3.46Å; I328-R331 PolarHBondContact O-N 3.47Å; I328-R331 VanDerWaalsContact O-N 3.11Å; I328-T332 PolarHBondContact O-N 2.69Å; I328-T332 PolarHBondContact O-OG1 2.84Å; I328-T332 VanDerWaalsContact O-OG1 3.1Å
329A84Confident83.2Confident9 Ų972.3 Ų72.37%0.07436%0.363CS..Hα-helixtrans-60.1-37.7179.500000112.4F325 L326 T332 Y333 I416 M419F325-A329 PolarHBondContact O-N 3.23Å; L326-A329 PolarHBondContact O-N 3.13Å; A329-T332 PolarHBondContact O-N 2.83Å; A329-Y333 PolarHBondContact O-N 2.75Å; A329-I416 HydrophobicContact CB-CG1 3.79Å; A329-M419 HydrophobicContact CB-SD 4.4Å
330R85.1Confident83.6Confident11 Ų1168.6 Ų68.64%0.04235%0.349CS..Hα-helixtrans-66-38.7174.4-75.2167.8172.4173.9-8113.2C315 Y316 V318 L326 D327 I328 Y333 T334 I416C315-R330 VanDerWaalsContact O-CZ 3.32Å; C315-R330 PolarHBondContact O-NE 3.28Å; C315-R330 PolarHBondContact O-NH2 2.87Å; Y316-R330 HydrophobicContact CE1-CB 4.3Å; Y316-R330 HydrophobicContact CE1-CG 4.27Å; V318-R330 VanDerWaalsContact O-CZ 3.22Å; V318-R330 PolarHBondContact O-NH1 3.36Å; V318-R330 PolarHBondContact O-NH2 3.04Å; L326-R330 VanDerWaalsContact O-CG 3.29Å; L326-R330 WeakPolarHBondContact O-CG 3.36Å; L326-R330 PolarHBondContact O-N 3.37Å; D327-R330 PolarHBondContact O-N 2.76Å; D327-R330 IonicContact OD1-NH1 2.77Å; D327-R330 PolarHBondContact OD1-NH1 3.06Å; I328-R330 VanDerWaalsContact C-N 3.28Å; I328-R330 PolarHBondContact O-N 3.12Å; R330-Y333 PolarHBondContact O-N 2.95Å; R330-T334 PolarHBondContact O-N 2.84Å; R330-T334 PolarHBondContact O-OG1 2.95Å; R330-I416 HydrophobicContact CG-CD1 4.28Å; R330-I416 HydrophobicContact CG-CG1 4.48Å
331R86.1Confident84.2Confident170 Ų17067.1 Ų67.164%0.64234%0.341SS*.Hα-helixtrans-62.2-49.6173.9-74175.9-172.2173.54.4110.4D327 I328 Y333 T334 E335D327-R331 WeakPolarHBondContact O-CG 3.47Å; D327-R331 PolarHBondContact O-N 2.88Å; I328-R331 WeakPolarHBondContact O-CB 3.46Å; I328-R331 PolarHBondContact O-N 3.47Å; I328-R331 VanDerWaalsContact O-N 3.11Å; R331-Y333 VanDerWaalsContact C-N 3.26Å; R331-Y333 PolarHBondContact O-N 3.38Å; R331-T334 PolarHBondContact O-N 2.95Å; R331-E335 WeakPolarHBondContact O-CG 3.44Å; R331-E335 PolarHBondContact O-N 2.97Å
332T85.9Confident84.9Confident56 Ų5661.2 Ų61.234%0.34432%0.316SS..Hα-helixtrans-55.4-42.7175.4-49.30000111.8I328 A329 I336I328-T332 PolarHBondContact O-N 2.69Å; I328-T332 PolarHBondContact O-OG1 2.84Å; I328-T332 VanDerWaalsContact O-OG1 3.1Å; A329-T332 PolarHBondContact O-N 2.83Å; T332-I336 HydrophobicContact CG2-CD1 4.15Å; T332-I336 WeakPolarHBondContact O-CD1 3.29Å; T332-I336 VanDerWaalsContact O-CG1 3.24Å; T332-I336 WeakPolarHBondContact O-CG1 3.39Å; T332-I336 PolarHBondContact O-N 2.87Å
333Y86.4Confident85.2Confident19 Ų1959.4 Ų59.48%0.07531%0.307CS..Hα-helixtrans-63.1-43.2176174.8-103.3000112.9A329 R330 R331 I336 V337 C409 L413 I416A329-Y333 PolarHBondContact O-N 2.75Å; R330-Y333 PolarHBondContact O-N 2.95Å; R331-Y333 VanDerWaalsContact C-N 3.26Å; R331-Y333 PolarHBondContact O-N 3.38Å; Y333-I336 PolarHBondContact O-N 2.79Å; Y333-V337 HydrophobicContact CD1-CG2 4.45Å; Y333-V337 HydrophobicContact CD2-CG2 4.47Å; Y333-V337 HydrophobicContact CE1-CG2 3.95Å; Y333-V337 HydrophobicContact CE2-CG2 3.96Å; Y333-V337 WeakPolarHBondContact O-CG2 3.35Å; Y333-V337 PolarHBondContact O-N 3.42Å; Y333-C409 WeakPolarHBondContact CE2-SG 3.38Å; Y333-L413 HydrophobicContact CD2-CD1 4.12Å; Y333-L413 HydrophobicContact CD2-CD2 3.78Å; Y333-L413 HydrophobicContact CD2-CG 3.57Å; Y333-L413 HydrophobicContact CE1-CD2 4.34Å; Y333-L413 HydrophobicContact CE2-CD1 3.37Å; Y333-L413 HydrophobicContact CE2-CD2 3.54Å; Y333-L413 HydrophobicContact CE2-CG 3.32Å; Y333-L413 HydrophobicContact CG-CD2 4.28Å; Y333-L413 HydrophobicContact CG-CG 4.49Å; Y333-I416 HydrophobicContact CG-CD1 4.07Å
334T85.4Confident85.3Confident50 Ų5058.3 Ų58.331%0.30730%0.299SS..Hα-helixtrans-64.5-44.7179.3-51.20000110.6Y316 R330 R331 I336 V337 D338Y316-T334 PolarHBondContact OH-OG1 2.68Å; R330-T334 PolarHBondContact O-N 2.84Å; R330-T334 PolarHBondContact O-OG1 2.95Å; R331-T334 PolarHBondContact O-N 2.95Å; T334-I336 VanDerWaalsContact C-N 3.34Å; T334-I336 PolarHBondContact O-N 2.99Å; T334-V337 PolarHBondContact O-N 3.48Å; T334-V337 VanDerWaalsContact O-N 3.12Å; T334-D338 WeakPolarHBondContact O-CB 3.2Å; T334-D338 PolarHBondContact O-N 3.3Å
335E88.2Confident85.4Confident115 Ų11553.2 Ų53.254%0.53728%0.283SS..Hα-helixtrans-57-45.5174.5-70.6168.9-172.300111.5R331 V337 D338 D339R331-E335 WeakPolarHBondContact O-CG 3.44Å; R331-E335 PolarHBondContact O-N 2.97Å; E335-V337 VanDerWaalsContact C-N 3.33Å; E335-V337 PolarHBondContact O-N 3.12Å; E335-D338 PolarHBondContact O-N 2.75Å; E335-D339 WeakPolarHBondContact O-CB 3.38Å; E335-D339 PolarHBondContact O-N 3.35Å
336I85.4Confident85.5Confident22 Ų2252.3 Ų52.311%0.11328%0.282CS..Hα-helixtrans-62.8-39.1177-66.5162.8000111.7T332 Y333 T334 I340 R408 C409T332-I336 HydrophobicContact CG2-CD1 4.15Å; T332-I336 WeakPolarHBondContact O-CD1 3.29Å; T332-I336 VanDerWaalsContact O-CG1 3.24Å; T332-I336 WeakPolarHBondContact O-CG1 3.39Å; T332-I336 PolarHBondContact O-N 2.87Å; Y333-I336 PolarHBondContact O-N 2.79Å; T334-I336 VanDerWaalsContact C-N 3.34Å; T334-I336 PolarHBondContact O-N 2.99Å; I336-I340 HydrophobicContact CG2-CD1 4.08Å; I336-I340 VanDerWaalsContact O-CG1 3.24Å; I336-I340 WeakPolarHBondContact O-CG1 3.33Å; I336-I340 PolarHBondContact O-N 3.39Å; I336-R408 HydrophobicContact CD1-CB 4.4Å; I336-C409 HydrophobicContact CG2-CB 3.79Å
337V85.7Confident85.4Confident39 Ų3952.9 Ų52.924%0.23629%0.285CS..Hα-helixtrans-68.9-40.7178.3172.70000111Y333 T334 E335 I340 A341 F365Y333-V337 HydrophobicContact CD1-CG2 4.45Å; Y333-V337 HydrophobicContact CD2-CG2 4.47Å; Y333-V337 HydrophobicContact CE1-CG2 3.95Å; Y333-V337 HydrophobicContact CE2-CG2 3.96Å; Y333-V337 WeakPolarHBondContact O-CG2 3.35Å; Y333-V337 PolarHBondContact O-N 3.42Å; T334-V337 PolarHBondContact O-N 3.48Å; T334-V337 VanDerWaalsContact O-N 3.12Å; E335-V337 VanDerWaalsContact C-N 3.33Å; E335-V337 PolarHBondContact O-N 3.12Å; V337-I340 PolarHBondContact O-N 2.93Å; V337-A341 PolarHBondContact O-N 2.66Å; V337-F365 HydrophobicContact CG1-CZ 4.48Å; V337-F365 HydrophobicContact CG2-CE2 4.38Å; V337-F365 HydrophobicContact CG2-CZ 4.23Å
338D86.1Confident85.3Confident101 Ų10153 Ų5354%0.5429%0.288SS..Hα-helixtrans-65.8-39.9175.5-71-20.2000111.2T334 E335 I340 A341 G342T334-D338 WeakPolarHBondContact O-CB 3.2Å; T334-D338 PolarHBondContact O-N 3.3Å; E335-D338 PolarHBondContact O-N 2.75Å; D338-I340 PolarHBondContact O-N 3.33Å; D338-A341 PolarHBondContact O-N 3.39Å; D338-G342 PolarHBondContact O-N 2.83Å
339D87.3Confident85.2Confident97 Ų9755.9 Ų55.952%0.51930%0.3SS..Hα-helixtrans-63.4-39.8174-71.7-22.1000111.6E335 G342 M343 M405E335-D339 WeakPolarHBondContact O-CB 3.38Å; E335-D339 PolarHBondContact O-N 3.35Å; D339-G342 PolarHBondContact O-N 2.88Å; D339-M343 VanDerWaalsContact O-CB 3.29Å; D339-M343 WeakPolarHBondContact O-CB 3.43Å; D339-M343 PolarHBondContact O-N 3.46Å; D339-M405 HydrophobicContact CB-CE 3.4Å
340I85.5Confident85.1Confident2 Ų261.3 Ų61.31%0.0132%0.322CS..Hα-helixtrans-63.2-45.1174.1-72.9166000110.5I336 V337 D338 M343 I344 F365 L402 M405I336-I340 HydrophobicContact CG2-CD1 4.08Å; I336-I340 VanDerWaalsContact O-CG1 3.24Å; I336-I340 WeakPolarHBondContact O-CG1 3.33Å; I336-I340 PolarHBondContact O-N 3.39Å; V337-I340 PolarHBondContact O-N 2.93Å; D338-I340 PolarHBondContact O-N 3.33Å; I340-M343 PolarHBondContact O-N 2.96Å; I340-I344 HydrophobicContact CG2-CD1 3.99Å; I340-I344 VanDerWaalsContact O-CG1 3.3Å; I340-I344 WeakPolarHBondContact O-CG1 3.43Å; I340-I344 PolarHBondContact O-N 3.31Å; I340-I344 VanDerWaalsContact O-N 3.1Å; I340-F365 HydrophobicContact CD1-CD2 4.07Å; I340-F365 HydrophobicContact CG2-CB 4.26Å; I340-F365 HydrophobicContact CG2-CG 4.43Å; I340-L402 HydrophobicContact CG1-CD1 4.34Å; I340-L402 HydrophobicContact CG2-CD1 3.67Å; I340-M405 HydrophobicContact CD1-CB 4.06Å; I340-M405 HydrophobicContact CG1-CB 3.78Å; I340-M405 HydrophobicContact CG1-CE 4.36Å; I340-M405 HydrophobicContact CG1-SD 4.08Å
341A85.4Confident84.7Confident43 Ų4363.9 Ų63.936%0.35533%0.332SS..Hα-helixtrans-64.8-43.2178.300000111.6V337 D338 I344 A345 T357V337-A341 PolarHBondContact O-N 2.66Å; D338-A341 PolarHBondContact O-N 3.39Å; A341-I344 PolarHBondContact O-N 3Å; A341-A345 PolarHBondContact O-N 3.49Å; A341-T357 HydrophobicContact CB-CG2 4.43Å
342G86.8Confident84.1Confident29 Ų2961.1 Ų61.130%0.29934%0.338SS..Hα-helixtrans-62.1-43.8175.700000112.5D338 D339 I344 A345 Q346D338-G342 PolarHBondContact O-N 2.83Å; D339-G342 PolarHBondContact O-N 2.88Å; G342-I344 VanDerWaalsContact C-N 3.32Å; G342-I344 PolarHBondContact O-N 3.06Å; G342-A345 PolarHBondContact O-N 3.22Å; G342-Q346 WeakPolarHBondContact O-CG 3Å; G342-Q346 PolarHBondContact O-N 2.89Å
343M85Confident83.7Confident34 Ų3459.6 Ų59.617%0.16733%0.328CS..Hα-helixtrans-59.6-43.6175.2-170-158-17400111.5D339 I340 Q346 L347 D401 M405D339-M343 VanDerWaalsContact O-CB 3.29Å; D339-M343 WeakPolarHBondContact O-CB 3.43Å; D339-M343 PolarHBondContact O-N 3.46Å; I340-M343 PolarHBondContact O-N 2.96Å; M343-Q346 PolarHBondContact O-N 2.82Å; M343-L347 HydrophobicContact CE-CD1 4.22Å; M343-L347 HydrophobicContact CG-CD1 4.37Å; M343-L347 WeakPolarHBondContact O-CG 3.35Å; M343-L347 PolarHBondContact O-N 2.84Å; M343-D401 HydrophobicContact CE-CB 3.42Å; M343-D401 VanDerWaalsContact CE-CB 3.42Å; M343-D401 HydrophobicContact SD-CB 4.2Å; M343-M405 HydrophobicContact SD-SD 4.1Å
344I83.6Confident83.2Confident3 Ų361.6 Ų61.62%0.01534%0.343CS..Hα-helixtrans-69.5-35.7-179.8-66.2171000111I340 A341 G342 L347 A348 L355 T357 I367 L402I340-I344 HydrophobicContact CG2-CD1 3.99Å; I340-I344 VanDerWaalsContact O-CG1 3.3Å; I340-I344 WeakPolarHBondContact O-CG1 3.43Å; I340-I344 PolarHBondContact O-N 3.31Å; I340-I344 VanDerWaalsContact O-N 3.1Å; A341-I344 PolarHBondContact O-N 3Å; G342-I344 VanDerWaalsContact C-N 3.32Å; G342-I344 PolarHBondContact O-N 3.06Å; I344-L347 PolarHBondContact O-N 3.48Å; I344-A348 WeakPolarHBondContact O-CB 3.4Å; I344-A348 PolarHBondContact O-N 3.32Å; I344-L355 HydrophobicContact CG2-CB 4.04Å; I344-T357 HydrophobicContact CB-CG2 3.94Å; I344-T357 HydrophobicContact CD1-CG2 3.47Å; I344-T357 VanDerWaalsContact CD1-CG2 3.47Å; I344-T357 HydrophobicContact CG1-CG2 4.25Å; I344-T357 HydrophobicContact CG2-CG2 4Å; I344-I367 HydrophobicContact CD1-CG1 3.85Å; I344-I367 HydrophobicContact CG1-CD1 4.28Å; I344-I367 HydrophobicContact CG1-CG1 3.91Å; I344-I367 HydrophobicContact CG2-CG1 4.46Å; I344-L402 HydrophobicContact CD1-CD1 4.28Å
345A84.5Confident82.9Confident51 Ų5160.1 Ų60.142%0.42133%0.333SS..Hα-helixtrans-64.4-44172.700000112A341 G342 L347 A348 E349A341-A345 PolarHBondContact O-N 3.49Å; G342-A345 PolarHBondContact O-N 3.22Å; A345-L347 VanDerWaalsContact C-N 3.33Å; A345-L347 PolarHBondContact O-N 3.15Å; A345-A348 WeakPolarHBondContact O-CB 2.98Å; A345-A348 PolarHBondContact O-N 3.49Å; A345-A348 VanDerWaalsContact O-N 3.13Å; A345-E349 PolarHBondContact O-N 3.1Å
346Q85.3Confident82.5Confident133 Ų13362.7 Ų62.762%0.62134%0.338SS*.Hα-helixtrans-62.1-39.6175-72.4174.84.400112.2G342 M343 A348 E349 K350G342-Q346 WeakPolarHBondContact O-CG 3Å; G342-Q346 PolarHBondContact O-N 2.89Å; M343-Q346 PolarHBondContact O-N 2.82Å; Q346-A348 VanDerWaalsContact C-N 3.34Å; Q346-E349 PolarHBondContact O-N 2.77Å; Q346-K350 VanDerWaalsContact O-CB 3.23Å; Q346-K350 WeakPolarHBondContact O-CB 3.35Å; Q346-K350 PolarHBondContact O-N 2.62Å
347L82.1Confident82.3Confident13 Ų1365 Ų657%0.06835%0.353CS..Hα-helixtrans-66.9-36.1173.9-71.6170.5000111.9M343 I344 A345 Y351 L355 I367 F385M343-L347 HydrophobicContact CE-CD1 4.22Å; M343-L347 HydrophobicContact CG-CD1 4.37Å; M343-L347 WeakPolarHBondContact O-CG 3.35Å; M343-L347 PolarHBondContact O-N 2.84Å; I344-L347 PolarHBondContact O-N 3.48Å; A345-L347 VanDerWaalsContact C-N 3.33Å; A345-L347 PolarHBondContact O-N 3.15Å; L347-Y351 HydrophobicContact CD2-CD2 4.29Å; L347-Y351 HydrophobicContact CD2-CE2 3.83Å; L347-Y351 WeakPolarHBondContact O-CD2 3.24Å; L347-Y351 PolarHBondContact O-N 2.88Å; L347-Y351 VanDerWaalsContact O-N 3.15Å; L347-L355 HydrophobicContact CB-CD1 3.95Å; L347-I367 HydrophobicContact CD1-CD1 4.19Å; L347-F385 HydrophobicContact CD1-CE1 4.49Å
348A82.1Confident82Confident22 Ų2264.3 Ų64.318%0.18235%0.35CS..Hα-helixtrans-63.4-42.4175.100000111.3I344 A345 Q346 S352 L353 L355I344-A348 WeakPolarHBondContact O-CB 3.4Å; I344-A348 PolarHBondContact O-N 3.32Å; A345-A348 WeakPolarHBondContact O-CB 2.98Å; A345-A348 PolarHBondContact O-N 3.49Å; A345-A348 VanDerWaalsContact O-N 3.13Å; Q346-A348 VanDerWaalsContact C-N 3.34Å; A348-S352 CarbonylContact O-C 3.5Å; A348-S352 WeakPolarHBondContact O-CA 3.36Å; A348-S352 PolarHBondContact O-N 3.21Å; A348-L353 WeakPolarHBondContact CB-O 3.18Å; A348-L353 PolarHBondContact O-N 2.62Å; A348-L353 VanDerWaalsContact O-N 3.09Å; A348-L355 HydrophobicContact CB-CB 4.04Å; A348-L355 HydrophobicContact CB-CD1 4.35Å; A348-L355 HydrophobicContact CB-CG 4.21Å
349E83.6Confident81.6Confident155 Ų15561.9 Ų61.972%0.72434%0.335SS*.Hα-helixtrans-69-50175.9-71.8-177.8176.100112.2A345 Q346 Y351 S352A345-E349 PolarHBondContact O-N 3.1Å; Q346-E349 PolarHBondContact O-N 2.77Å; E349-Y351 VanDerWaalsContact C-N 3.25Å; E349-Y351 PolarHBondContact O-N 3.21Å; E349-S352 PolarHBondContact O-N 2.79Å
350K80.8Confident81.1Confident123 Ų12359 Ų5954%0.53532%0.322SS..Hα-helixtrans-55.3-39.4-178.7-177.9-176.9174.2-163.70112.4Q346 E384Q346-K350 VanDerWaalsContact O-CB 3.23Å; Q346-K350 WeakPolarHBondContact O-CB 3.35Å; Q346-K350 PolarHBondContact O-N 2.62Å; K350-E384 IonicContact NZ-OE1 2.75Å; K350-E384 PolarHBondContact NZ-OE1 2.9Å; K350-E384 IonicContact NZ-OE2 3.07Å; K350-E384 PolarHBondContact NZ-OE2 2.93Å
351Y77.3Confident80.2Confident65 Ų6563.8 Ų63.826%0.25536%0.356SS..Hα-helixtrans-104.3-1.9-178.2-63.5-67.8000113.8L347 E349 L353 P382 E384 F385L347-Y351 HydrophobicContact CD2-CD2 4.29Å; L347-Y351 HydrophobicContact CD2-CE2 3.83Å; L347-Y351 WeakPolarHBondContact O-CD2 3.24Å; L347-Y351 PolarHBondContact O-N 2.88Å; L347-Y351 VanDerWaalsContact O-N 3.15Å; E349-Y351 VanDerWaalsContact C-N 3.25Å; E349-Y351 PolarHBondContact O-N 3.21Å; Y351-L353 PolarHBondContact O-N 2.74Å; Y351-P382 HydrophobicContact CD1-CB 4.4Å; Y351-P382 HydrophobicContact CD1-CG 3.38Å; Y351-P382 HydrophobicContact CD2-CG 4.05Å; Y351-P382 HydrophobicContact CE1-CB 3.78Å; Y351-P382 HydrophobicContact CE1-CG 3.23Å; Y351-P382 HydrophobicContact CE2-CB 4.22Å; Y351-P382 HydrophobicContact CE2-CG 3.91Å; Y351-P382 HydrophobicContact CG-CG 3.8Å; Y351-E384 PolarHBondContact OH-OE1 2.95Å; Y351-E384 PolarHBondContact OH-OE2 3.38Å; Y351-F385 HydrophobicContact CD2-CZ 4.48Å
352S74.9Confident79.4Confident111 Ų11166.8 Ų66.878%0.77637%0.374SS*.THydrogen-bonded Turntrans50.441.5-175-63.10000113.2A348 E349A348-S352 CarbonylContact O-C 3.5Å; A348-S352 WeakPolarHBondContact O-CA 3.36Å; A348-S352 PolarHBondContact O-N 3.21Å; E349-S352 PolarHBondContact O-N 2.79Å
353L76.9Confident78.7Confident24 Ų2471.4 Ų71.413%0.12638%0.383CS..  trans-112.1142.8-179.4-67.4175.4000110.9A348 Y351 L355 M369 L376A348-L353 WeakPolarHBondContact CB-O 3.18Å; A348-L353 PolarHBondContact O-N 2.62Å; A348-L353 VanDerWaalsContact O-N 3.09Å; Y351-L353 PolarHBondContact O-N 2.74Å; L353-L355 VanDerWaalsContact C-N 3.27Å; L353-L355 HydrophobicContact CB-CD2 3.92Å; L353-L355 HydrophobicContact CB-CG 4.06Å; L353-L355 PolarHBondContact O-N 3.18Å; L353-M369 HydrophobicContact CB-SD 4.44Å; L353-M369 HydrophobicContact CD1-SD 4.4Å; L353-M369 HydrophobicContact CD2-SD 4.31Å; L353-L376 HydrophobicContact CD2-CD1 3.46Å; L353-L376 VanDerWaalsContact CD2-CD1 3.46Å
354P75Confident78.3Confident61 Ų6170 Ų7040%0.39638%0.377SS..  trans-76.676.7177.231.9-34.6000111.1M369P354-M369 HydrophobicContact CG-CG 4.4Å
355L80.1Confident78.3Confident19 Ų1970.9 Ų70.910%0.09938%0.381CS..EExtended strand (participates in β ladder)trans-87.5134.1178.9-53.4-176.4000110.9I344 L347 A348 L353 I367 M369 F385 F397I344-L355 HydrophobicContact CG2-CB 4.04Å; L347-L355 HydrophobicContact CB-CD1 3.95Å; A348-L355 HydrophobicContact CB-CB 4.04Å; A348-L355 HydrophobicContact CB-CD1 4.35Å; A348-L355 HydrophobicContact CB-CG 4.21Å; L353-L355 VanDerWaalsContact C-N 3.27Å; L353-L355 HydrophobicContact CB-CD2 3.92Å; L353-L355 HydrophobicContact CB-CG 4.06Å; L353-L355 PolarHBondContact O-N 3.18Å; L355-I367 HydrophobicContact CB-CG2 3.84Å; L355-I367 HydrophobicContact CD1-CG2 4.13Å; L355-I367 HydrophobicContact CD2-CG2 3.82Å; L355-I367 HydrophobicContact CG-CG2 4.14Å; L355-M369 HydrophobicContact CD2-CB 4.21Å; L355-M369 HydrophobicContact CD2-CG 4.38Å; L355-M369 HydrophobicContact CD2-SD 4.36Å; L355-F385 HydrophobicContact CD1-CZ 4.27Å; L355-F397 HydrophobicContact CD2-CE2 4.09Å; L355-F397 HydrophobicContact CD2-CZ 3.57Å
356R79.3Confident78.3Confident169 Ų16969.6 Ų69.664%0.63837%0.366SS*.EExtended strand (participates in β ladder)trans-120.1144.6173.5-67.5-172.3177.8-175.50.7110.8Q368R356-Q368 PolarHBondContact N-O 3.27Å; R356-Q368 PolarHBondContact O-N 3.16Å
357T80.6Confident78.2Confident70 Ų7063.3 Ų63.343%0.42934%0.337SS..EExtended strand (participates in β ladder)trans-74.6126.2169.2590000109.6A341 I344A341-T357 HydrophobicContact CB-CG2 4.43Å; I344-T357 HydrophobicContact CB-CG2 3.94Å; I344-T357 HydrophobicContact CD1-CG2 3.47Å; I344-T357 VanDerWaalsContact CD1-CG2 3.47Å; I344-T357 HydrophobicContact CG1-CG2 4.25Å; I344-T357 HydrophobicContact CG2-CG2 4Å
358S79.6Confident78.2Confident26 Ų2665.5 Ų65.518%0.18235%0.346CS..EExtended strand (participates in β ladder)trans-135.7155.8175.2-72.30000110.8F365 F366 Q368S358-F365 CarbonylContact O-C 3.52Å; S358-F365 WeakPolarHBondContact O-CA 3.13Å; S358-F366 VanDerWaalsContact CB-CZ 3.49Å; S358-F366 PolarHBondContact N-O 3.02Å; S358-F366 WeakPolarHBondContact O-CD1 3.34Å; S358-F366 PolarHBondContact O-N 2.93Å; S358-F366 VanDerWaalsContact O-O 3.07Å; S358-Q368 PolarHBondContact OG-OE1 2.89Å
359F77.6Confident78.2Confident49 Ų4965 Ų6522%0.21534%0.34CS..EExtended strand (participates in β ladder)trans-127.1138.3-173.8178.7-99.6000111.7L308 G364 F365L308-F359 HydrophobicContact CD1-CB 3.58Å; L308-F359 HydrophobicContact CD1-CD1 3.68Å; L308-F359 HydrophobicContact CD1-CG 3.68Å; F359-G364 VanDerWaalsContact CD2-C 3.48Å; F359-G364 WeakPolarHBondContact CD2-O 3.3Å; F359-F365 HydrophobicContact CB-CD1 4.25Å; F359-F365 HydrophobicContact CB-CE1 4.34Å; F359-F365 HydrophobicContact CD2-CD1 4.14Å; F359-F365 HydrophobicContact CD2-CD2 4.18Å; F359-F365 HydrophobicContact CD2-CE1 4.24Å; F359-F365 HydrophobicContact CD2-CE2 4.27Å; F359-F365 HydrophobicContact CD2-CG 4.11Å; F359-F365 HydrophobicContact CD2-CZ 4.31Å
360S77.6Confident77.6Confident36 Ų3660 Ų6025%0.25232%0.321SS..EExtended strand (participates in β ladder)trans-135.9141.2171.4175.60000110.8S362 R363 G364S360-S362 PolarHBondContact O-N 3.49Å; S360-S362 PolarHBondContact OG-OG 3.28Å; S360-R363 PolarHBondContact O-N 2.93Å; S360-G364 PolarHBondContact N-O 3.44Å; S360-G364 WeakPolarHBondContact O-CA 3.23Å; S360-G364 PolarHBondContact O-N 2.78Å
361S66.6Low76.6Confident103 Ų10355.9 Ų55.972%0.7231%0.306SS*.THydrogen-bonded Turntrans-61.5-28.1-177.9-166.30000113.6
362S69.3Low75.6Confident106 Ų10659.5 Ų59.574%0.74133%0.329SS*.THydrogen-bonded Turntrans-91.9-22.9179.356.20000113.6S360S360-S362 PolarHBondContact O-N 3.49Å; S360-S362 PolarHBondContact OG-OG 3.28Å
363R70.7Confident74.2Confident126 Ų12657.8 Ų57.848%0.47532%0.317SS..THydrogen-bonded Turntrans-113.1-12-173.1-52.9-175.3-161.7177.31.8114.3S360 S389 S396S360-R363 PolarHBondContact O-N 2.93Å; R363-S389 PolarHBondContact NH1-OG 2.96Å; R363-S396 PolarHBondContact NH1-OG 3.46Å
364G78.1Confident72.6Confident4 Ų461.5 Ų61.54%0.04135%0.351CS..EExtended strand (participates in β ladder)trans74.9-154.1-170.500000112.4F359 S360F359-G364 VanDerWaalsContact CD2-C 3.48Å; F359-G364 WeakPolarHBondContact CD2-O 3.3Å; S360-G364 PolarHBondContact N-O 3.44Å; S360-G364 WeakPolarHBondContact O-CA 3.23Å; S360-G364 PolarHBondContact O-N 2.78Å
365F82.6Confident71.3Confident23 Ų2363 Ų6310%0.10137%0.368CS..EExtended strand (participates in β ladder)trans-71.2132.3169.1-68.2-83.9000109.9V337 I340 S358 F359 L402 N406V337-F365 HydrophobicContact CG1-CZ 4.48Å; V337-F365 HydrophobicContact CG2-CE2 4.38Å; V337-F365 HydrophobicContact CG2-CZ 4.23Å; I340-F365 HydrophobicContact CD1-CD2 4.07Å; I340-F365 HydrophobicContact CG2-CB 4.26Å; I340-F365 HydrophobicContact CG2-CG 4.43Å; S358-F365 CarbonylContact O-C 3.52Å; S358-F365 WeakPolarHBondContact O-CA 3.13Å; F359-F365 HydrophobicContact CB-CD1 4.25Å; F359-F365 HydrophobicContact CB-CE1 4.34Å; F359-F365 HydrophobicContact CD2-CD1 4.14Å; F359-F365 HydrophobicContact CD2-CD2 4.18Å; F359-F365 HydrophobicContact CD2-CE1 4.24Å; F359-F365 HydrophobicContact CD2-CE2 4.27Å; F359-F365 HydrophobicContact CD2-CG 4.11Å; F359-F365 HydrophobicContact CD2-CZ 4.31Å; F365-L402 WeakPolarHBondContact O-CD2 3.23Å; F365-N406 WeakPolarHBondContact CB-OD1 3.39Å; F365-N406 WeakPolarHBondContact CD2-OD1 3.41Å; F365-N406 PolarHBondContact N-OD1 2.76Å; F365-N406 PolarHBondContact O-ND2 3.47Å
366F83.6Confident70Confident24 Ų2465 Ų6511%0.10538%0.378CS..EExtended strand (participates in β ladder)trans-137.6159.7177.467.2-88.5000110S358 Q368 T398S358-F366 VanDerWaalsContact CB-CZ 3.49Å; S358-F366 PolarHBondContact N-O 3.02Å; S358-F366 WeakPolarHBondContact O-CD1 3.34Å; S358-F366 PolarHBondContact O-N 2.93Å; S358-F366 VanDerWaalsContact O-O 3.07Å; F366-Q368 HydrophobicContact CD2-CB 4.49Å; F366-Q368 HydrophobicContact CE2-CB 4.03Å; F366-Q368 HydrophobicContact CE2-CG 4.48Å; F366-T398 HydrophobicContact CB-CG2 4Å
367I83.9Confident68.7Low1 Ų160.1 Ų60.11%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-89126.2179-57.7167.8000107.9I344 L347 L355 F385 S396 F397 L402I344-I367 HydrophobicContact CD1-CG1 3.85Å; I344-I367 HydrophobicContact CG1-CD1 4.28Å; I344-I367 HydrophobicContact CG1-CG1 3.91Å; I344-I367 HydrophobicContact CG2-CG1 4.46Å; L347-I367 HydrophobicContact CD1-CD1 4.19Å; L355-I367 HydrophobicContact CB-CG2 3.84Å; L355-I367 HydrophobicContact CD1-CG2 4.13Å; L355-I367 HydrophobicContact CD2-CG2 3.82Å; L355-I367 HydrophobicContact CG-CG2 4.14Å; I367-F385 HydrophobicContact CD1-CD1 4.36Å; I367-F385 HydrophobicContact CD1-CE1 3.87Å; I367-S396 VanDerWaalsContact O-CA 3.28Å; I367-S396 WeakPolarHBondContact O-CA 3.49Å; I367-F397 HydrophobicContact CB-CD2 3.74Å; I367-F397 HydrophobicContact CB-CE2 3.65Å; I367-F397 HydrophobicContact CB-CZ 4.39Å; I367-F397 HydrophobicContact CD1-CD2 4.15Å; I367-F397 HydrophobicContact CD1-CE2 4.11Å; I367-F397 HydrophobicContact CG1-CE2 4.49Å; I367-F397 HydrophobicContact CG2-CD2 3.98Å; I367-F397 HydrophobicContact CG2-CE2 3.33Å; I367-F397 HydrophobicContact CG2-CZ 3.76Å; I367-F397 PolarHBondContact N-O 2.95Å; I367-F397 PolarHBondContact O-N 3.24Å; I367-L402 HydrophobicContact CD1-CD2 4.36Å; I367-L402 HydrophobicContact CG1-CD2 4Å
368Q83.1Confident67.3Low58 Ų5860.9 Ų60.927%0.27138%0.379SS..EExtended strand (participates in β ladder)trans-112.8135.3174.4-167.5176.111.900110.4R356 S358 F366 S394 Y395R356-Q368 PolarHBondContact N-O 3.27Å; R356-Q368 PolarHBondContact O-N 3.16Å; S358-Q368 PolarHBondContact OG-OE1 2.89Å; F366-Q368 HydrophobicContact CD2-CB 4.49Å; F366-Q368 HydrophobicContact CE2-CB 4.03Å; F366-Q368 HydrophobicContact CE2-CG 4.48Å; Q368-S394 VanDerWaalsContact NE2-CB 3.3Å; Q368-S394 PolarHBondContact NE2-OG 2.95Å; Q368-S394 VanDerWaalsContact NE2-OG 3.09Å; Q368-Y395 CarbonylContact C-O 3.56Å; Q368-Y395 WeakPolarHBondContact CA-O 3.47Å
369M80.1Confident65.8Low11 Ų1166.6 Ų66.65%0.05441%0.407CS..EExtended strand (participates in β ladder)trans-123.8129.6175.9-175.4179.771.800109.4L353 P354 L355 S394 Y395 F397L353-M369 HydrophobicContact CB-SD 4.44Å; L353-M369 HydrophobicContact CD1-SD 4.4Å; L353-M369 HydrophobicContact CD2-SD 4.31Å; P354-M369 HydrophobicContact CG-CG 4.4Å; L355-M369 HydrophobicContact CD2-CB 4.21Å; L355-M369 HydrophobicContact CD2-CG 4.38Å; L355-M369 HydrophobicContact CD2-SD 4.36Å; M369-S394 CarbonylContact O-C 3.54Å; M369-S394 WeakPolarHBondContact O-CA 3.07Å; M369-Y395 HydrophobicContact CE-CD2 3.84Å; M369-Y395 HydrophobicContact CE-CG 4.21Å; M369-Y395 PolarHBondContact N-O 2.78Å; M369-Y395 PolarHBondContact O-N 3.14Å; M369-F397 HydrophobicContact CB-CE1 4.05Å; M369-F397 HydrophobicContact CB-CZ 4.28Å
370T71.3Confident64.9Low52 Ų5270.4 Ų70.432%0.31943%0.426SS..EExtended strand (participates in β ladder)trans-88.8130.4177.642.60000111.1D372T370-D372 VanDerWaalsContact C-N 3.35Å; T370-D372 PolarHBondContact O-N 3.35Å
371T61.5Low64.3Low35 Ų3570.1 Ų70.122%0.21542%0.421CS..THydrogen-bonded Turntrans-82.378176.930.90000111.4N393 Y395T371-N393 PolarHBondContact N-O 2.71Å; T371-N393 VanDerWaalsContact N-O 3.08Å; T371-N393 PolarHBondContact O-ND2 3.02Å; T371-N393 VanDerWaalsContact O-ND2 3.07Å; T371-N393 WeakPolarHBondContact OG1-CA 3.36Å; T371-N393 PolarHBondContact OG1-O 2.93Å; T371-N393 PolarHBondContact OG1-OD1 3.23Å; T371-Y395 HydrophobicContact CG2-CD2 3.8Å; T371-Y395 HydrophobicContact CG2-CE2 3.55Å
372D54.3Low64.2Low141 Ų14166.3 Ų66.375%0.75439%0.394SS*.THydrogen-bonded Turntrans-103.9-8.6156.8-70.3-27.8000111.6T370 A374T370-D372 VanDerWaalsContact C-N 3.35Å; T370-D372 PolarHBondContact O-N 3.35Å; D372-A374 PolarHBondContact O-N 2.91Å
373C46.5Very low64Low76 Ų7667.2 Ų67.251%0.51440%0.4SS..SBendtrans-90.9100173.1-65.10000110.4A375C373-A375 PolarHBondContact O-N 3.36Å
374A44.3Very low63.9Low101 Ų10165.1 Ų65.184%0.83540%0.396SS*.SBendtrans-61.5127.2161.500000109D372D372-A374 PolarHBondContact O-N 2.91Å
375A47Very low63.9Low92 Ų9265.6 Ų65.676%0.7640%0.397SS*.  trans101.743.3172.700000118.9C373C373-A375 PolarHBondContact O-N 3.36Å
376L52.8Low63.5Low61 Ų6168 Ų6832%0.31941%0.41SS..  trans-115.6104.2154-76.2154.1000109.3L353 Q380L353-L376 HydrophobicContact CD2-CD1 3.46Å; L353-L376 VanDerWaalsContact CD2-CD1 3.46Å; L376-Q380 HydrophobicContact CD2-CB 4.01Å
377S50.8Low62.9Low68 Ų6874.6 Ų74.648%0.47644%0.439SS..  trans-62.9149.9163.8410000109.2D379 Q380S377-D379 PolarHBondContact O-N 2.63Å; S377-Q380 PolarHBondContact O-N 2.86Å; S377-Q380 VanDerWaalsContact O-N 3.13Å
378S51.4Low62.5Low85 Ų8578.5 Ų78.559%0.59446%0.459SS*.G310 helixtrans-52.7-22.1177.850.40000113.7
379D49.6Very low62Low147 Ų14777.5 Ų77.579%0.78646%0.458SS*.G310 helixtrans-83.8-5-174.8-64.7-7.6000114.4S377S377-D379 PolarHBondContact O-N 2.63Å
380Q57.8Low61.7Low129 Ų12983.1 Ų83.160%0.60348%0.482SS*.G310 helixtrans-100.82174.9-73.8-171.5-11.900113.9L376 S377L376-Q380 HydrophobicContact CD2-CB 4.01Å; S377-Q380 PolarHBondContact O-N 2.86Å; S377-Q380 VanDerWaalsContact O-N 3.13Å
381L64.8Low61.8Low29 Ų2984.5 Ų84.515%0.15249%0.491CS..SBendtrans-75.2131.2176-72.9166.4000110F385 I388L381-F385 HydrophobicContact CD2-CD2 4.42Å; L381-I388 HydrophobicContact CD1-CD1 4.01Å
382P64.6Low62.3Low23 Ų2392.4 Ų92.415%0.14952%0.522CS..  trans-50.6140.4175.3-28.232.7000112.7Y351 E384 F385Y351-P382 HydrophobicContact CD1-CB 4.4Å; Y351-P382 HydrophobicContact CD1-CG 3.38Å; Y351-P382 HydrophobicContact CD2-CG 4.05Å; Y351-P382 HydrophobicContact CE1-CB 3.78Å; Y351-P382 HydrophobicContact CE1-CG 3.23Å; Y351-P382 HydrophobicContact CE2-CB 4.22Å; Y351-P382 HydrophobicContact CE2-CG 3.91Å; Y351-P382 HydrophobicContact CG-CG 3.8Å; P382-E384 PolarHBondContact O-N 2.94Å; P382-F385 HydrophobicContact CB-CD2 4.03Å; P382-F385 HydrophobicContact CB-CE2 4.04Å; P382-F385 HydrophobicContact CG-CD2 4.08Å; P382-F385 HydrophobicContact CG-CE2 3.7Å; P382-F385 PolarHBondContact O-N 3.38Å
383S64.4Low63Low126 Ų12690.3 Ų90.388%0.88151%0.511SS*.THydrogen-bonded Turntrans-62.2-13175.953.90000113.9F385S383-F385 PolarHBondContact O-N 2.94Å
384E69.9Low64.5Low81 Ų8187.6 Ų87.638%0.37949%0.493SS..THydrogen-bonded Turntrans-68.2-15.7173.2-67.2177.4-167.400112.6K350 Y351 P382K350-E384 IonicContact NZ-OE1 2.75Å; K350-E384 PolarHBondContact NZ-OE1 2.9Å; K350-E384 IonicContact NZ-OE2 3.07Å; K350-E384 PolarHBondContact NZ-OE2 2.93Å; Y351-E384 PolarHBondContact OH-OE1 2.95Å; Y351-E384 PolarHBondContact OH-OE2 3.38Å; P382-E384 PolarHBondContact O-N 2.94Å
385F77.7Confident66.2Low14 Ų1484.8 Ų84.86%0.06146%0.461CS..EExtended strand (participates in β ladder)trans-93.3127.9178.5-60.8-49.9000113.2L347 Y351 L355 I367 L381 P382 S383 F397L347-F385 HydrophobicContact CD1-CE1 4.49Å; Y351-F385 HydrophobicContact CD2-CZ 4.48Å; L355-F385 HydrophobicContact CD1-CZ 4.27Å; I367-F385 HydrophobicContact CD1-CD1 4.36Å; I367-F385 HydrophobicContact CD1-CE1 3.87Å; L381-F385 HydrophobicContact CD2-CD2 4.42Å; P382-F385 HydrophobicContact CB-CD2 4.03Å; P382-F385 HydrophobicContact CB-CE2 4.04Å; P382-F385 HydrophobicContact CG-CD2 4.08Å; P382-F385 HydrophobicContact CG-CE2 3.7Å; P382-F385 PolarHBondContact O-N 3.38Å; S383-F385 PolarHBondContact O-N 2.94Å; F385-F397 HydrophobicContact CB-CB 4.33Å; F385-F397 HydrophobicContact CB-CD2 4.06Å; F385-F397 HydrophobicContact CB-CG 4.35Å; F385-F397 AromaticContact CD1-CD2 3.27Å; F385-F397 HydrophobicContact CD1-CD2 3.27Å; F385-F397 AromaticContact CD1-CE2 3.49Å; F385-F397 HydrophobicContact CD1-CE2 3.49Å; F385-F397 VanDerWaalsContact CD1-CE2 3.49Å; F385-F397 HydrophobicContact CD1-CG 4.33Å; F385-F397 HydrophobicContact CD2-CD2 4.22Å; F385-F397 HydrophobicContact CD2-CE2 4.05Å; F385-F397 AromaticContact CE1-CD2 3.68Å; F385-F397 HydrophobicContact CE1-CD2 3.68Å; F385-F397 AromaticContact CE1-CE2 3.38Å; F385-F397 HydrophobicContact CE1-CE2 3.38Å; F385-F397 AromaticContact CE2-CE2 3.94Å; F385-F397 HydrophobicContact CE2-CE2 3.94Å; F385-F397 HydrophobicContact CE2-CZ 4.42Å; F385-F397 AromaticContact CG-CD2 3.59Å; F385-F397 HydrophobicContact CG-CD2 3.59Å; F385-F397 AromaticContact CG-CE2 3.84Å; F385-F397 HydrophobicContact CG-CE2 3.84Å; F385-F397 HydrophobicContact CG-CG 4.29Å; F385-F397 HydrophobicContact CZ-CD2 4.29Å; F385-F397 AromaticContact CZ-CE2 3.62Å; F385-F397 HydrophobicContact CZ-CE2 3.62Å; F385-F397 HydrophobicContact CZ-CZ 4.38Å
386I74.9Confident67.8Low73 Ų7380.7 Ų80.737%0.37443%0.427SS..EExtended strand (participates in β ladder)trans-124.1149.5-173.2-44176.9000109.3T398 A400I386-T398 WeakPolarHBondContact CA-O 3.46Å; I386-T398 PolarHBondContact N-O 3.32Å; I386-T398 PolarHBondContact O-N 3.42Å; I386-T398 PolarHBondContact O-OG1 3.29Å; I386-A400 HydrophobicContact CD1-CB 4.03Å
387K70Confident69.3Low163 Ų16377.9 Ų77.971%0.70941%0.412SS*.EExtended strand (participates in β ladder)trans55.557.1-179.7-63.4-179.5-179.2174.70113.3S389K387-S389 PolarHBondContact O-N 2.72Å
388I75.6Confident70.8Confident83 Ų8375.3 Ų75.343%0.42639%0.393SS..EExtended strand (participates in β ladder)trans-71.6122.2177.3-56.9163.8000109.5L381 Y395 S396 F397L381-I388 HydrophobicContact CD1-CD1 4.01Å; I388-Y395 HydrophobicContact CG2-CD1 4.07Å; I388-S396 CarbonylContact C-O 3.59Å; I388-S396 WeakPolarHBondContact CA-O 3.4Å; I388-F397 HydrophobicContact CG1-CB 4.03Å
389S73.1Confident72.4Confident37 Ų3771.5 Ų71.526%0.25937%0.367SS..EExtended strand (participates in β ladder)trans-129.6129.3172.4660000110.9R363 K387 S396R363-S389 PolarHBondContact NH1-OG 2.96Å; K387-S389 PolarHBondContact O-N 2.72Å; S389-S396 PolarHBondContact N-O 3.4Å; S389-S396 PolarHBondContact O-N 2.75Å; S389-S396 PolarHBondContact O-OG 3.07Å; S389-S396 PolarHBondContact OG-OG 3.39Å
390K73.9Confident74Confident130 Ų13066.7 Ų66.757%0.56535%0.347SS*.EExtended strand (participates in β ladder)trans-98.1123.2180-173.7178.6-175.41650109.7Y395K390-Y395 HydrophobicContact CB-CD1 4.14Å; K390-Y395 HydrophobicContact CB-CE1 3.97Å; K390-Y395 HydrophobicContact CD-CE1 3.86Å; K390-Y395 HydrophobicContact CD-CE2 4.4Å; K390-Y395 HydrophobicContact CG-CD1 4.31Å; K390-Y395 HydrophobicContact CG-CE1 3.96Å; K390-Y395 PolarHBondContact NZ-OH 3.05Å; K390-Y395 VanDerWaalsContact NZ-OH 3.11Å
391V72.1Confident75.3Confident81 Ų8164.4 Ų64.449%0.49134%0.339SS..EExtended strand (participates in β ladder)trans-125.3111.6174.4-177.10000108.6N393 S394V391-N393 PolarHBondContact O-N 3.21Å; V391-S394 PolarHBondContact N-O 2.73Å; V391-S394 PolarHBondContact O-N 3.49Å; V391-S394 PolarHBondContact O-OG 3.47Å
392K72.1Confident76.3Confident201 Ų20163 Ų6387%0.87433%0.332SS*.THydrogen-bonded Turntrans47.6-99.2-175.3-65.9-176177.2-177.20112.8
393N70.1Confident77.3Confident97 Ų9764.7 Ų64.752%0.51934%0.339SS..THydrogen-bonded Turntrans-11426.6-175.4-144.140.6000112.7T371 V391T371-N393 PolarHBondContact N-O 2.71Å; T371-N393 VanDerWaalsContact N-O 3.08Å; T371-N393 PolarHBondContact O-ND2 3.02Å; T371-N393 VanDerWaalsContact O-ND2 3.07Å; T371-N393 WeakPolarHBondContact OG1-CA 3.36Å; T371-N393 PolarHBondContact OG1-O 2.93Å; T371-N393 PolarHBondContact OG1-OD1 3.23Å; V391-N393 PolarHBondContact O-N 3.21Å
394S77.4Confident78.4Confident19 Ų1964.7 Ų64.713%0.13332%0.323CS..EExtended strand (participates in β ladder)trans-141.6137.6174.465.20000112.1Q368 M369 V391Q368-S394 VanDerWaalsContact NE2-CB 3.3Å; Q368-S394 PolarHBondContact NE2-OG 2.95Å; Q368-S394 VanDerWaalsContact NE2-OG 3.09Å; M369-S394 CarbonylContact O-C 3.54Å; M369-S394 WeakPolarHBondContact O-CA 3.07Å; V391-S394 PolarHBondContact N-O 2.73Å; V391-S394 PolarHBondContact O-N 3.49Å; V391-S394 PolarHBondContact O-OG 3.47Å
395Y79.4Confident79.1Confident41 Ų4162.8 Ų62.816%0.16132%0.315CS..EExtended strand (participates in β ladder)trans-92.6136.3167.3-74.2-88.9000108.6Q368 M369 T371 I388 K390Q368-Y395 CarbonylContact C-O 3.56Å; Q368-Y395 WeakPolarHBondContact CA-O 3.47Å; M369-Y395 HydrophobicContact CE-CD2 3.84Å; M369-Y395 HydrophobicContact CE-CG 4.21Å; M369-Y395 PolarHBondContact N-O 2.78Å; M369-Y395 PolarHBondContact O-N 3.14Å; T371-Y395 HydrophobicContact CG2-CD2 3.8Å; T371-Y395 HydrophobicContact CG2-CE2 3.55Å; I388-Y395 HydrophobicContact CG2-CD1 4.07Å; K390-Y395 HydrophobicContact CB-CD1 4.14Å; K390-Y395 HydrophobicContact CB-CE1 3.97Å; K390-Y395 HydrophobicContact CD-CE1 3.86Å; K390-Y395 HydrophobicContact CD-CE2 4.4Å; K390-Y395 HydrophobicContact CG-CD1 4.31Å; K390-Y395 HydrophobicContact CG-CE1 3.96Å; K390-Y395 PolarHBondContact NZ-OH 3.05Å; K390-Y395 VanDerWaalsContact NZ-OH 3.11Å
396S80.5Confident79.5Confident7 Ų762.8 Ų62.85%0.04932%0.315CS..EExtended strand (participates in β ladder)trans-122.6131.9171.656.10000109.6R363 I367 I388 S389R363-S396 PolarHBondContact NH1-OG 3.46Å; I367-S396 VanDerWaalsContact O-CA 3.28Å; I367-S396 WeakPolarHBondContact O-CA 3.49Å; I388-S396 CarbonylContact C-O 3.59Å; I388-S396 WeakPolarHBondContact CA-O 3.4Å; S389-S396 PolarHBondContact N-O 3.4Å; S389-S396 PolarHBondContact O-N 2.75Å; S389-S396 PolarHBondContact O-OG 3.07Å; S389-S396 PolarHBondContact OG-OG 3.39Å
397F84.9Confident80.1Confident1 Ų165.3 Ų65.30%0.00433%0.326CS..EExtended strand (participates in β ladder)trans-148.3166.3-178.942.9-93.4000110.8L355 I367 M369 F385 I388L355-F397 HydrophobicContact CD2-CE2 4.09Å; L355-F397 HydrophobicContact CD2-CZ 3.57Å; I367-F397 HydrophobicContact CB-CD2 3.74Å; I367-F397 HydrophobicContact CB-CE2 3.65Å; I367-F397 HydrophobicContact CB-CZ 4.39Å; I367-F397 HydrophobicContact CD1-CD2 4.15Å; I367-F397 HydrophobicContact CD1-CE2 4.11Å; I367-F397 HydrophobicContact CG1-CE2 4.49Å; I367-F397 HydrophobicContact CG2-CD2 3.98Å; I367-F397 HydrophobicContact CG2-CE2 3.33Å; I367-F397 HydrophobicContact CG2-CZ 3.76Å; I367-F397 PolarHBondContact N-O 2.95Å; I367-F397 PolarHBondContact O-N 3.24Å; M369-F397 HydrophobicContact CB-CE1 4.05Å; M369-F397 HydrophobicContact CB-CZ 4.28Å; F385-F397 HydrophobicContact CB-CB 4.33Å; F385-F397 HydrophobicContact CB-CD2 4.06Å; F385-F397 HydrophobicContact CB-CG 4.35Å; F385-F397 AromaticContact CD1-CD2 3.27Å; F385-F397 HydrophobicContact CD1-CD2 3.27Å; F385-F397 AromaticContact CD1-CE2 3.49Å; F385-F397 HydrophobicContact CD1-CE2 3.49Å; F385-F397 VanDerWaalsContact CD1-CE2 3.49Å; F385-F397 HydrophobicContact CD1-CG 4.33Å; F385-F397 HydrophobicContact CD2-CD2 4.22Å; F385-F397 HydrophobicContact CD2-CE2 4.05Å; F385-F397 AromaticContact CE1-CD2 3.68Å; F385-F397 HydrophobicContact CE1-CD2 3.68Å; F385-F397 AromaticContact CE1-CE2 3.38Å; F385-F397 HydrophobicContact CE1-CE2 3.38Å; F385-F397 AromaticContact CE2-CE2 3.94Å; F385-F397 HydrophobicContact CE2-CE2 3.94Å; F385-F397 HydrophobicContact CE2-CZ 4.42Å; F385-F397 AromaticContact CG-CD2 3.59Å; F385-F397 HydrophobicContact CG-CD2 3.59Å; F385-F397 AromaticContact CG-CE2 3.84Å; F385-F397 HydrophobicContact CG-CE2 3.84Å; F385-F397 HydrophobicContact CG-CG 4.29Å; F385-F397 HydrophobicContact CZ-CD2 4.29Å; F385-F397 AromaticContact CZ-CE2 3.62Å; F385-F397 HydrophobicContact CZ-CE2 3.62Å; F385-F397 HydrophobicContact CZ-CZ 4.38Å; I388-F397 HydrophobicContact CG1-CB 4.03Å
398T82.9Confident80.8Confident14 Ų1465.7 Ų65.79%0.08632%0.323CS..EExtended strand (participates in β ladder)trans-129.7161-178.352.60000109.7F366 I386F366-T398 HydrophobicContact CB-CG2 4Å; I386-T398 WeakPolarHBondContact CA-O 3.46Å; I386-T398 PolarHBondContact N-O 3.32Å; I386-T398 PolarHBondContact O-N 3.42Å; I386-T398 PolarHBondContact O-OG1 3.29Å
399S84.8Confident81.3Confident6 Ų661.8 Ų61.84%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-120.3158.3173167.10000109.6D401 L402 I403S399-D401 VanDerWaalsContact C-N 3.25Å; S399-D401 PolarHBondContact O-N 2.89Å; S399-L402 PolarHBondContact O-N 2.94Å; S399-I403 WeakPolarHBondContact O-CG1 3.43Å; S399-I403 PolarHBondContact O-N 3.46Å
400A83.9Confident81.8Confident45 Ų4563.9 Ų63.937%0.37231%0.308SS..Hα-helixtrans-57.2-40176.300000112I386 I403 K404I386-A400 HydrophobicContact CD1-CB 4.03Å; A400-I403 PolarHBondContact O-N 3.45Å; A400-K404 PolarHBondContact O-N 3.31Å
401D85.1Confident82.4Confident81 Ų8163.3 Ų63.343%0.43331%0.308SS..Hα-helixtrans-71.9-37.9177.8-63.2-35000111.5M343 S399 I403 K404 M405M343-D401 HydrophobicContact CE-CB 3.42Å; M343-D401 VanDerWaalsContact CE-CB 3.42Å; M343-D401 HydrophobicContact SD-CB 4.2Å; S399-D401 VanDerWaalsContact C-N 3.25Å; S399-D401 PolarHBondContact O-N 2.89Å; D401-I403 VanDerWaalsContact C-N 3.27Å; D401-I403 PolarHBondContact O-N 3.47Å; D401-K404 PolarHBondContact O-N 3.1Å; D401-M405 WeakPolarHBondContact O-CG 3.41Å; D401-M405 PolarHBondContact O-N 2.94Å
402L85.4Confident83.1Confident0 Ų060.1 Ų60.10%029%0.289CS..Hα-helixtrans-63-34.1174.1-17266.9000112I340 I344 F365 I367 S399 N406I340-L402 HydrophobicContact CG1-CD1 4.34Å; I340-L402 HydrophobicContact CG2-CD1 3.67Å; I344-L402 HydrophobicContact CD1-CD1 4.28Å; F365-L402 WeakPolarHBondContact O-CD2 3.23Å; I367-L402 HydrophobicContact CD1-CD2 4.36Å; I367-L402 HydrophobicContact CG1-CD2 4Å; S399-L402 PolarHBondContact O-N 2.94Å; L402-N406 VanDerWaalsContact O-CB 3.23Å; L402-N406 WeakPolarHBondContact O-CB 2.94Å; L402-N406 PolarHBondContact O-N 3.45Å; L402-N406 PolarHBondContact O-ND2 3.12Å; L402-N406 VanDerWaalsContact O-ND2 3.1Å
403I85.4Confident83.6Confident59 Ų5950.8 Ų50.830%0.30325%0.248SC..Hα-helixtrans-65.7-46.6174.1-68.3165.9000110.3S399 A400 D401 M405 N406 E407S399-I403 WeakPolarHBondContact O-CG1 3.43Å; S399-I403 PolarHBondContact O-N 3.46Å; A400-I403 PolarHBondContact O-N 3.45Å; D401-I403 VanDerWaalsContact C-N 3.27Å; D401-I403 PolarHBondContact O-N 3.47Å; I403-M405 PolarHBondContact O-N 3.48Å; I403-N406 WeakPolarHBondContact O-CB 3.48Å; I403-N406 PolarHBondContact O-N 2.83Å; I403-E407 PolarHBondContact O-N 3.29Å
404K87.3Confident84.3Confident126 Ų12652.7 Ų52.755%0.54825%0.248SC..Hα-helixtrans-61.8-42.4176.7-68.3174.2-175.7167.80112.3A400 D401 E407 R408A400-K404 PolarHBondContact O-N 3.31Å; D401-K404 PolarHBondContact O-N 3.1Å; K404-E407 PolarHBondContact O-N 2.97Å; K404-R408 PolarHBondContact O-N 3.17Å
405M85Confident84.6Confident41 Ų4156.9 Ų56.920%0.20227%0.266CS..Hα-helixtrans-67.4-37176.4-66.9179.3106.800111.7D339 I340 M343 D401 I403 R408 C409D339-M405 HydrophobicContact CB-CE 3.4Å; I340-M405 HydrophobicContact CD1-CB 4.06Å; I340-M405 HydrophobicContact CG1-CB 3.78Å; I340-M405 HydrophobicContact CG1-CE 4.36Å; I340-M405 HydrophobicContact CG1-SD 4.08Å; M343-M405 HydrophobicContact SD-SD 4.1Å; D401-M405 WeakPolarHBondContact O-CG 3.41Å; D401-M405 PolarHBondContact O-N 2.94Å; I403-M405 PolarHBondContact O-N 3.48Å; M405-R408 PolarHBondContact O-N 2.85Å; M405-C409 WeakPolarHBondContact O-CB 3.32Å; M405-C409 PolarHBondContact O-N 3.5Å
406N86.6Confident84.9Confident13 Ų1354.9 Ų54.97%0.0726%0.258CS..Hα-helixtrans-62.8-41172.1-89.6-45000112.5F365 L402 I403 C409 Q410F365-N406 WeakPolarHBondContact CB-OD1 3.39Å; F365-N406 WeakPolarHBondContact CD2-OD1 3.41Å; F365-N406 PolarHBondContact N-OD1 2.76Å; F365-N406 PolarHBondContact O-ND2 3.47Å; L402-N406 VanDerWaalsContact O-CB 3.23Å; L402-N406 WeakPolarHBondContact O-CB 2.94Å; L402-N406 PolarHBondContact O-N 3.45Å; L402-N406 PolarHBondContact O-ND2 3.12Å; L402-N406 VanDerWaalsContact O-ND2 3.1Å; I403-N406 WeakPolarHBondContact O-CB 3.48Å; I403-N406 PolarHBondContact O-N 2.83Å; N406-C409 WeakPolarHBondContact O-CB 3.18Å; N406-C409 PolarHBondContact O-N 3.2Å; N406-Q410 WeakPolarHBondContact O-CG 3.43Å; N406-Q410 PolarHBondContact O-N 3.23Å
407E86.3Confident85Confident127 Ų12755.2 Ų55.259%0.59326%0.258SS*.Hα-helixtrans-62.4-48.9175.6-76.9179.3170.400111.1I403 K404 C409 Q410 E411I403-E407 PolarHBondContact O-N 3.29Å; K404-E407 PolarHBondContact O-N 2.97Å; E407-C409 VanDerWaalsContact C-N 3.33Å; E407-C409 PolarHBondContact O-N 2.9Å; E407-Q410 WeakPolarHBondContact O-CB 3.33Å; E407-Q410 PolarHBondContact O-N 3.4Å; E407-Q410 VanDerWaalsContact O-N 3.14Å; E407-E411 PolarHBondContact O-N 3.49Å
408R86.1Confident84.9Confident171 Ų17159.5 Ų59.565%0.64528%0.278SS*.Hα-helixtrans-57.2-45.4173.6-76.3179.1147.3-167.7-7.5112.4I336 K404 M405 Q410 E411 S412I336-R408 HydrophobicContact CD1-CB 4.4Å; K404-R408 PolarHBondContact O-N 3.17Å; M405-R408 PolarHBondContact O-N 2.85Å; R408-Q410 VanDerWaalsContact C-N 3.31Å; R408-Q410 PolarHBondContact O-N 3.01Å; R408-E411 PolarHBondContact O-N 3.33Å; R408-S412 PolarHBondContact O-N 3.4Å; R408-S412 PolarHBondContact O-OG 2.87Å
409C85.1Confident85Confident1 Ų161.3 Ų61.31%0.00729%0.286CS..Hα-helixtrans-59.8-40.6176.9-176.10000111.7Y333 I336 M405 N406 E407 L413Y333-C409 WeakPolarHBondContact CE2-SG 3.38Å; I336-C409 HydrophobicContact CG2-CB 3.79Å; M405-C409 WeakPolarHBondContact O-CB 3.32Å; M405-C409 PolarHBondContact O-N 3.5Å; N406-C409 WeakPolarHBondContact O-CB 3.18Å; N406-C409 PolarHBondContact O-N 3.2Å; E407-C409 VanDerWaalsContact C-N 3.33Å; E407-C409 PolarHBondContact O-N 2.9Å; C409-L413 WeakPolarHBondContact O-CB 3.38Å; C409-L413 WeakPolarHBondContact O-CD1 3.12Å; C409-L413 VanDerWaalsContact O-CG 3.25Å; C409-L413 WeakPolarHBondContact O-CG 3.28Å; C409-L413 PolarHBondContact O-N 3.45Å
410Q84.4Confident85Confident80 Ų8061 Ų6137%0.37428%0.284SS..Hα-helixtrans-68.4-38.4175.3-75.9-174.314.100112.6N406 E407 R408 L413 R414N406-Q410 WeakPolarHBondContact O-CG 3.43Å; N406-Q410 PolarHBondContact O-N 3.23Å; E407-Q410 WeakPolarHBondContact O-CB 3.33Å; E407-Q410 PolarHBondContact O-N 3.4Å; E407-Q410 VanDerWaalsContact O-N 3.14Å; R408-Q410 VanDerWaalsContact C-N 3.31Å; R408-Q410 PolarHBondContact O-N 3.01Å; Q410-L413 PolarHBondContact O-N 2.98Å; Q410-R414 WeakPolarHBondContact O-CG 3.48Å; Q410-R414 PolarHBondContact O-N 3.33Å
411E85.9Confident85Confident119 Ų11959.4 Ų59.456%0.55627%0.269SS*.Hα-helixtrans-64-52178.1-171.1168.3-150.100111.4E407 R408 L413 R414 E415E407-E411 PolarHBondContact O-N 3.49Å; R408-E411 PolarHBondContact O-N 3.33Å; E411-L413 PolarHBondContact O-N 2.8Å; E411-L413 VanDerWaalsContact O-N 3.17Å; E411-R414 WeakPolarHBondContact O-CB 3.48Å; E411-R414 PolarHBondContact O-N 2.92Å; E411-E415 PolarHBondContact O-N 3.39Å; E411-E415 VanDerWaalsContact O-N 3.12Å
412S85.9Confident84.9Confident14 Ų1460 Ų6010%0.09827%0.27CS..Hα-helixtrans-57.1-34.6175.1-57.90000112.2R408 E415 I416R408-S412 PolarHBondContact O-N 3.4Å; R408-S412 PolarHBondContact O-OG 2.87Å; S412-E415 PolarHBondContact O-N 3.02Å; S412-I416 VanDerWaalsContact O-CG1 3.26Å; S412-I416 WeakPolarHBondContact O-CG1 3.4Å; S412-I416 PolarHBondContact O-N 3.47Å
413L83.2Confident84.9Confident4 Ų461.5 Ų61.52%0.02128%0.278CS..Hα-helixtrans-70.8-35.6175.7-80.2171.8000114.4C315 Y333 C409 Q410 E411 E415 I416 Y417C315-L413 WeakPolarHBondContact SG-CD2 3.48Å; Y333-L413 HydrophobicContact CD2-CD1 4.12Å; Y333-L413 HydrophobicContact CD2-CD2 3.78Å; Y333-L413 HydrophobicContact CD2-CG 3.57Å; Y333-L413 HydrophobicContact CE1-CD2 4.34Å; Y333-L413 HydrophobicContact CE2-CD1 3.37Å; Y333-L413 HydrophobicContact CE2-CD2 3.54Å; Y333-L413 HydrophobicContact CE2-CG 3.32Å; Y333-L413 HydrophobicContact CG-CD2 4.28Å; Y333-L413 HydrophobicContact CG-CG 4.49Å; C409-L413 WeakPolarHBondContact O-CB 3.38Å; C409-L413 WeakPolarHBondContact O-CD1 3.12Å; C409-L413 VanDerWaalsContact O-CG 3.25Å; C409-L413 WeakPolarHBondContact O-CG 3.28Å; C409-L413 PolarHBondContact O-N 3.45Å; Q410-L413 PolarHBondContact O-N 2.98Å; E411-L413 PolarHBondContact O-N 2.8Å; E411-L413 VanDerWaalsContact O-N 3.17Å; L413-E415 VanDerWaalsContact C-N 3.28Å; L413-I416 HydrophobicContact CD2-CD1 4.28Å; L413-I416 PolarHBondContact O-N 2.96Å; L413-Y417 WeakPolarHBondContact O-CB 3.32Å; L413-Y417 VanDerWaalsContact O-CG 3.24Å; L413-Y417 PolarHBondContact O-N 3Å
414R84.2Confident84.9Confident138 Ų13858.8 Ų58.852%0.52126%0.264SS..Hα-helixtrans-63.2-40.3174.2-71.6174.3-171.3172.36.6110.3V239 Q410 E411 Y417 H418V239-R414 HydrophobicContact CG1-CG 4.15Å; V239-R414 HydrophobicContact CG2-CB 4.47Å; V239-R414 HydrophobicContact CG2-CG 4.11Å; Q410-R414 WeakPolarHBondContact O-CG 3.48Å; Q410-R414 PolarHBondContact O-N 3.33Å; E411-R414 WeakPolarHBondContact O-CB 3.48Å; E411-R414 PolarHBondContact O-N 2.92Å; R414-Y417 PolarHBondContact O-N 3.29Å; R414-H418 WeakPolarHBondContact O-CB 3.38Å; R414-H418 PolarHBondContact O-N 3.14Å
415E84.5Confident84.7Confident106 Ų10654.4 Ų54.450%0.49525%0.249SC..Hα-helixtrans-62.2-50.3174.4-66.3-179161.400111.4E411 S412 L413 Y417 H418 M419E411-E415 PolarHBondContact O-N 3.39Å; E411-E415 VanDerWaalsContact O-N 3.12Å; S412-E415 PolarHBondContact O-N 3.02Å; L413-E415 VanDerWaalsContact C-N 3.28Å; E415-Y417 VanDerWaalsContact C-N 3.3Å; E415-Y417 PolarHBondContact O-N 2.75Å; E415-H418 PolarHBondContact O-N 3.08Å; E415-H418 VanDerWaalsContact O-N 3.16Å; E415-M419 WeakPolarHBondContact O-CB 3.42Å; E415-M419 VanDerWaalsContact O-CG 3.24Å; E415-M419 WeakPolarHBondContact O-CG 3.48Å; E415-M419 PolarHBondContact O-N 3.29Å
416I84.8Confident84.7Confident0 Ų059.8 Ų59.80%027%0.271CS..Hα-helixtrans-54.5-47.4176.1-70.9165.4000110.7L326 A329 R330 Y333 S412 L413 T420L326-I416 HydrophobicContact CD1-CB 4.49Å; L326-I416 HydrophobicContact CD1-CG2 4.06Å; A329-I416 HydrophobicContact CB-CG1 3.79Å; R330-I416 HydrophobicContact CG-CD1 4.28Å; R330-I416 HydrophobicContact CG-CG1 4.48Å; Y333-I416 HydrophobicContact CG-CD1 4.07Å; S412-I416 VanDerWaalsContact O-CG1 3.26Å; S412-I416 WeakPolarHBondContact O-CG1 3.4Å; S412-I416 PolarHBondContact O-N 3.47Å; L413-I416 HydrophobicContact CD2-CD1 4.28Å; L413-I416 PolarHBondContact O-N 2.96Å; I416-T420 WeakPolarHBondContact O-CB 3.48Å; I416-T420 PolarHBondContact O-N 3.17Å; I416-T420 PolarHBondContact O-OG1 3.44Å
417Y83.8Confident84.7Confident13 Ų1359.6 Ų59.65%0.05127%0.27CS..Hα-helixtrans-65.9-40179.9-69.4-15.8000112.8V239 E243 I246 R311 K314 L413 R414 E415 Y421V239-Y417 HydrophobicContact CG1-CD2 4.19Å; E243-Y417 HydrophobicContact CG-CE2 4.25Å; I246-Y417 HydrophobicContact CD1-CD1 4.36Å; R311-Y417 WeakPolarHBondContact CG-OH 3.45Å; K314-Y417 HydrophobicContact CB-CE1 3.83Å; L413-Y417 WeakPolarHBondContact O-CB 3.32Å; L413-Y417 VanDerWaalsContact O-CG 3.24Å; L413-Y417 PolarHBondContact O-N 3Å; R414-Y417 PolarHBondContact O-N 3.29Å; E415-Y417 VanDerWaalsContact C-N 3.3Å; E415-Y417 PolarHBondContact O-N 2.75Å; Y417-Y421 WeakPolarHBondContact O-CB 3.15Å; Y417-Y421 PolarHBondContact O-N 3.38Å
418H83.5Confident84.6Confident92 Ų9253.6 Ų53.643%0.42624%0.242SC..Hα-helixtrans-65.1-45.5178-174.667000111.7R414 E415 Y421 M422R414-H418 WeakPolarHBondContact O-CB 3.38Å; R414-H418 PolarHBondContact O-N 3.14Å; E415-H418 PolarHBondContact O-N 3.08Å; E415-H418 VanDerWaalsContact O-N 3.16Å; H418-Y421 WeakPolarHBondContact O-CB 3.42Å; H418-Y421 PolarHBondContact O-N 2.88Å; H418-M422 WeakPolarHBondContact O-CG 3.13Å; H418-M422 PolarHBondContact O-N 3.04Å
419M84.1Confident84.5Confident52 Ų5248.9 Ų48.926%0.25624%0.235SC..Hα-helixtrans-67.1-41.5178.2-63.9169.381.500111.8F325 L326 A329 E415 Y421 M422 I423F325-M419 HydrophobicContact CB-CE 3.2Å; F325-M419 HydrophobicContact CG-CE 4.43Å; L326-M419 HydrophobicContact CD1-CB 4.15Å; A329-M419 HydrophobicContact CB-SD 4.4Å; E415-M419 WeakPolarHBondContact O-CB 3.42Å; E415-M419 VanDerWaalsContact O-CG 3.24Å; E415-M419 WeakPolarHBondContact O-CG 3.48Å; E415-M419 PolarHBondContact O-N 3.29Å; M419-Y421 VanDerWaalsContact C-N 3.32Å; M419-Y421 PolarHBondContact O-N 3.32Å; M419-M422 PolarHBondContact O-N 2.86Å; M419-I423 PolarHBondContact O-N 2.99Å
420T84.2Confident84.5Confident0 Ų052.6 Ų52.60%025%0.252CS..Hα-helixtrans-60.4-44.2173.4-58.90000110.5I246 V318 I416 M422 I423 V424I246-T420 HydrophobicContact CD1-CG2 3.54Å; I246-T420 HydrophobicContact CG1-CG2 3.75Å; I246-T420 HydrophobicContact CG2-CG2 4.39Å; V318-T420 HydrophobicContact CG2-CG2 3.7Å; I416-T420 WeakPolarHBondContact O-CB 3.48Å; I416-T420 PolarHBondContact O-N 3.17Å; I416-T420 PolarHBondContact O-OG1 3.44Å; T420-M422 PolarHBondContact O-N 3.09Å; T420-I423 PolarHBondContact O-N 3.18Å; T420-V424 HydrophobicContact CG2-CG2 4.24Å; T420-V424 WeakPolarHBondContact O-CB 3.44Å; T420-V424 VanDerWaalsContact O-CG2 3.29Å; T420-V424 WeakPolarHBondContact O-CG2 3.49Å; T420-V424 PolarHBondContact O-N 3.36Å
421Y83.9Confident84.6Confident11 Ų1149 Ų494%0.04324%0.235CC..Hα-helixtrans-59.6-41.8177.9168.5-103.7000112.8D237 A242 K245 Y417 H418 M419 I423 V424 C425D237-Y421 VanDerWaalsContact OD1-CE1 3.28Å; D237-Y421 WeakPolarHBondContact OD1-CE1 3.34Å; D237-Y421 PolarHBondContact OD1-OH 3.07Å; A242-Y421 HydrophobicContact CB-CD1 4.48Å; A242-Y421 HydrophobicContact CB-CD2 3.97Å; A242-Y421 HydrophobicContact CB-CG 3.79Å; K245-Y421 HydrophobicContact CB-CD2 4.16Å; K245-Y421 HydrophobicContact CB-CE2 4.31Å; K245-Y421 HydrophobicContact CG-CD2 4.4Å; K245-Y421 HydrophobicContact CG-CE2 4.05Å; Y417-Y421 WeakPolarHBondContact O-CB 3.15Å; Y417-Y421 PolarHBondContact O-N 3.38Å; H418-Y421 WeakPolarHBondContact O-CB 3.42Å; H418-Y421 PolarHBondContact O-N 2.88Å; M419-Y421 VanDerWaalsContact C-N 3.32Å; M419-Y421 PolarHBondContact O-N 3.32Å; Y421-I423 VanDerWaalsContact C-N 3.33Å; Y421-I423 PolarHBondContact O-N 2.94Å; Y421-V424 PolarHBondContact O-N 3.16Å; Y421-C425 WeakPolarHBondContact CE2-SG 3.41Å; Y421-C425 WeakPolarHBondContact O-CB 3.48Å; Y421-C425 PolarHBondContact O-N 3.36Å; Y421-C425 PolarHBondContact O-SG 2.68Å; Y421-C425 VanDerWaalsContact O-SG 3.33Å
422M83.9Confident84.3Confident92 Ų9244.9 Ų44.945%0.45322%0.215SC..Hα-helixtrans-58.8-44175.6-70.7-79.495.700112.4H418 M419 T420 C425 K426H418-M422 WeakPolarHBondContact O-CG 3.13Å; H418-M422 PolarHBondContact O-N 3.04Å; M419-M422 PolarHBondContact O-N 2.86Å; T420-M422 PolarHBondContact O-N 3.09Å; M422-C425 PolarHBondContact O-N 3.46Å; M422-K426 PolarHBondContact O-N 3.18Å
423I85.1Confident84.2Confident33 Ų3351.6 Ų51.617%0.16925%0.245CC..Hα-helixtrans-64.9-44.4176.4-62168.5000110.4V296 V318 I322 L326 M419 T420 Y421 K426 L427V296-I423 HydrophobicContact CG1-CG2 3.73Å; V318-I423 HydrophobicContact CG1-CD1 4.22Å; V318-I423 HydrophobicContact CG1-CG2 4.38Å; V318-I423 HydrophobicContact CG2-CG2 4.4Å; I322-I423 HydrophobicContact CG2-CD1 4.29Å; I322-I423 HydrophobicContact CG2-CG2 4.26Å; L326-I423 HydrophobicContact CD2-CD1 4.04Å; M419-I423 PolarHBondContact O-N 2.99Å; T420-I423 PolarHBondContact O-N 3.18Å; Y421-I423 VanDerWaalsContact C-N 3.33Å; Y421-I423 PolarHBondContact O-N 2.94Å; I423-K426 PolarHBondContact O-N 3.08Å; I423-L427 PolarHBondContact O-N 2.73Å
424V84.6Confident84.2Confident2 Ų253.7 Ų53.71%0.01225%0.254CS..Hα-helixtrans-62.6-42.7178.1166.50000111.8I246 L249 T420 Y421 K426 L427 L428I246-V424 HydrophobicContact CG1-CG2 4.28Å; L249-V424 HydrophobicContact CB-CG1 4.4Å; L249-V424 HydrophobicContact CD2-CB 4.24Å; L249-V424 HydrophobicContact CD2-CG1 3.87Å; L249-V424 HydrophobicContact CD2-CG2 3.62Å; T420-V424 HydrophobicContact CG2-CG2 4.24Å; T420-V424 WeakPolarHBondContact O-CB 3.44Å; T420-V424 VanDerWaalsContact O-CG2 3.29Å; T420-V424 WeakPolarHBondContact O-CG2 3.49Å; T420-V424 PolarHBondContact O-N 3.36Å; Y421-V424 PolarHBondContact O-N 3.16Å; V424-K426 VanDerWaalsContact C-N 3.32Å; V424-K426 PolarHBondContact O-N 2.89Å; V424-L427 PolarHBondContact O-N 3.32Å; V424-L428 HydrophobicContact CG1-CD1 3.83Å; V424-L428 HydrophobicContact CG1-CG 4.14Å; V424-L428 WeakPolarHBondContact O-CB 3.01Å; V424-L428 VanDerWaalsContact O-CG 3.32Å; V424-L428 WeakPolarHBondContact O-CG 3.36Å; V424-L428 PolarHBondContact O-N 2.93Å
425C83Confident84.1Confident34 Ų3447.3 Ų47.323%0.2323%0.231CC..Hα-helixtrans-62.9-39.1177.6-76.20000112.3Y421 M422 L428 S429Y421-C425 WeakPolarHBondContact CE2-SG 3.41Å; Y421-C425 WeakPolarHBondContact O-CB 3.48Å; Y421-C425 PolarHBondContact O-N 3.36Å; Y421-C425 PolarHBondContact O-SG 2.68Å; Y421-C425 VanDerWaalsContact O-SG 3.33Å; M422-C425 PolarHBondContact O-N 3.46Å; C425-L428 PolarHBondContact O-N 3.02Å; C425-S429 PolarHBondContact O-N 3.22Å; C425-S429 PolarHBondContact O-OG 3.31Å
426K85.3Confident83.7Confident153 Ų15342.7 Ų42.767%0.66521%0.209SC*.Hα-helixtrans-62.8-47174.3-168.5177.8179.9-178.50111M422 I423 V424 S429 E430M422-K426 PolarHBondContact O-N 3.18Å; I423-K426 PolarHBondContact O-N 3.08Å; V424-K426 VanDerWaalsContact C-N 3.32Å; V424-K426 PolarHBondContact O-N 2.89Å; K426-S429 WeakPolarHBondContact O-CB 3.29Å; K426-S429 PolarHBondContact O-N 3.4Å; K426-E430 PolarHBondContact O-N 3.47Å
427L86.3Confident83.7Confident9 Ų942.7 Ų42.75%0.04721%0.209CC..Hα-helixtrans-61.5-45175.917866.2000112.2L249 K292 I293 V296 I423 V424 S429 E430 I431L249-L427 HydrophobicContact CD1-CD2 4.13Å; L249-L427 HydrophobicContact CD2-CD2 3.93Å; K292-L427 HydrophobicContact CB-CD1 4.16Å; I293-L427 HydrophobicContact CG1-CD2 4.37Å; V296-L427 HydrophobicContact CB-CD2 4Å; V296-L427 HydrophobicContact CG1-CD2 4.17Å; V296-L427 HydrophobicContact CG2-CD1 4.1Å; V296-L427 HydrophobicContact CG2-CD2 4.22Å; I423-L427 PolarHBondContact O-N 2.73Å; V424-L427 PolarHBondContact O-N 3.32Å; L427-S429 VanDerWaalsContact C-N 3.26Å; L427-S429 PolarHBondContact O-N 3.29Å; L427-E430 WeakPolarHBondContact O-CB 3.43Å; L427-E430 PolarHBondContact O-N 3.44Å; L427-E430 VanDerWaalsContact O-N 3.12Å; L427-I431 HydrophobicContact CD1-CD1 4.35Å; L427-I431 HydrophobicContact CD2-CD1 4.41Å; L427-I431 HydrophobicContact CG-CD1 3.91Å; L427-I431 WeakPolarHBondContact O-CG1 3.22Å; L427-I431 PolarHBondContact O-N 3.3Å; L427-I431 VanDerWaalsContact O-N 3.1Å
428L84.5Confident83.7Confident2 Ų242.3 Ų42.31%0.0121%0.208CC..Hα-helixtrans-61.5-35.9178.8-75.6175.2000112.2L230 K245 L249 V424 C425 E430 I431 Y432L230-L428 HydrophobicContact CD2-CD1 4.46Å; L230-L428 HydrophobicContact CD2-CD2 3.83Å; K245-L428 HydrophobicContact CD-CD1 4.2Å; L249-L428 HydrophobicContact CD1-CD2 3.97Å; V424-L428 HydrophobicContact CG1-CD1 3.83Å; V424-L428 HydrophobicContact CG1-CG 4.14Å; V424-L428 WeakPolarHBondContact O-CB 3.01Å; V424-L428 VanDerWaalsContact O-CG 3.32Å; V424-L428 WeakPolarHBondContact O-CG 3.36Å; V424-L428 PolarHBondContact O-N 2.93Å; C425-L428 PolarHBondContact O-N 3.02Å; L428-E430 PolarHBondContact O-N 2.92Å; L428-I431 HydrophobicContact CD2-CD1 4.35Å; L428-I431 PolarHBondContact O-N 3.35Å; L428-Y432 HydrophobicContact CB-CE2 4.23Å; L428-Y432 VanDerWaalsContact O-CD2 3.27Å; L428-Y432 WeakPolarHBondContact O-CD2 3.42Å; L428-Y432 VanDerWaalsContact O-CG 3.23Å; L428-Y432 PolarHBondContact O-N 3.46Å
429S83.6Confident83.5Confident71 Ų7138 Ų3850%0.49719%0.188SC..Hα-helixtrans-59-37.5176-57.70000111.8C425 K426 L427C425-S429 PolarHBondContact O-N 3.22Å; C425-S429 PolarHBondContact O-OG 3.31Å; K426-S429 WeakPolarHBondContact O-CB 3.29Å; K426-S429 PolarHBondContact O-N 3.4Å; L427-S429 VanDerWaalsContact C-N 3.26Å; L427-S429 PolarHBondContact O-N 3.29Å
430E85.6Confident83.3Confident80 Ų8039.1 Ų39.137%0.37419%0.191SC..Hα-helixtrans-74.8-29.1174-59.6-177.4-156.600113.3K292 K426 L427 L428K292-E430 IonicContact NZ-OE2 3.33Å; K292-E430 PolarHBondContact NZ-OE2 3.39Å; K426-E430 PolarHBondContact O-N 3.47Å; L427-E430 WeakPolarHBondContact O-CB 3.43Å; L427-E430 PolarHBondContact O-N 3.44Å; L427-E430 VanDerWaalsContact O-N 3.12Å; L428-E430 PolarHBondContact O-N 2.92Å
431I86.3Confident83.5Confident3 Ų339.2 Ų39.22%0.01519%0.192CC..Hα-helixtrans-74.5-31.8177.8-65.6171000110.9L249 L252 I289 I293 L427 L428 E433 H434 I435L249-I431 HydrophobicContact CD1-CD1 4.26Å; L252-I431 HydrophobicContact CD2-CD1 4.29Å; L252-I431 HydrophobicContact CD2-CG2 4.33Å; I289-I431 HydrophobicContact CG2-CD1 4.22Å; I289-I431 HydrophobicContact CG2-CG1 4.15Å; I289-I431 HydrophobicContact CG2-CG2 4.02Å; I293-I431 HydrophobicContact CD1-CD1 4.08Å; I293-I431 HydrophobicContact CG1-CD1 3.89Å; L427-I431 HydrophobicContact CD1-CD1 4.35Å; L427-I431 HydrophobicContact CD2-CD1 4.41Å; L427-I431 HydrophobicContact CG-CD1 3.91Å; L427-I431 WeakPolarHBondContact O-CG1 3.22Å; L427-I431 PolarHBondContact O-N 3.3Å; L427-I431 VanDerWaalsContact O-N 3.1Å; L428-I431 HydrophobicContact CD2-CD1 4.35Å; L428-I431 PolarHBondContact O-N 3.35Å; I431-E433 PolarHBondContact O-N 3.49Å; I431-E433 VanDerWaalsContact O-N 3.16Å; I431-H434 CarbonylContact O-C 3.5Å; I431-H434 PolarHBondContact O-N 2.96Å; I431-I435 PolarHBondContact O-N 2.92Å; I431-I435 VanDerWaalsContact O-N 3.1Å
432Y80.7Confident83.5Confident33 Ų3338.8 Ų38.813%0.12919%0.191CC..Hα-helixtrans-59.4-27.4-179.7-65.6-38.1000113.3A123 L230 L428 H434 I435A123-Y432 HydrophobicContact CB-CD2 4.18Å; A123-Y432 HydrophobicContact CB-CE2 4.02Å; L230-Y432 PolarHBondContact O-OH 2.92Å; L428-Y432 HydrophobicContact CB-CE2 4.23Å; L428-Y432 VanDerWaalsContact O-CD2 3.27Å; L428-Y432 WeakPolarHBondContact O-CD2 3.42Å; L428-Y432 VanDerWaalsContact O-CG 3.23Å; L428-Y432 PolarHBondContact O-N 3.46Å; Y432-H434 PolarHBondContact O-N 3.07Å; Y432-I435 HydrophobicContact CD1-CD1 3.88Å; Y432-I435 HydrophobicContact CE1-CD1 4.3Å; Y432-I435 VanDerWaalsContact O-CG2 3.27Å; Y432-I435 WeakPolarHBondContact O-CG2 3.15Å; Y432-I435 PolarHBondContact O-N 2.98Å
433E82.5Confident83.4Confident156 Ų15636.6 Ų36.673%0.72918%0.18SC*.THydrogen-bonded Turntrans-63.9-23.7174.3-61.2-172.3166.700113.1I431I431-E433 PolarHBondContact O-N 3.49Å; I431-E433 VanDerWaalsContact O-N 3.16Å
434H83.8Confident83.6Confident47 Ų4735.2 Ų35.222%0.21817%0.174CC..THydrogen-bonded Turntrans-117.46-177.2-56.8-43.6000113.6I289 I431 Y432 H436 C437I289-H434 HydrophobicContact CD1-CB 3.87Å; I289-H434 HydrophobicContact CG1-CB 4.09Å; I431-H434 CarbonylContact O-C 3.5Å; I431-H434 PolarHBondContact O-N 2.96Å; Y432-H434 PolarHBondContact O-N 3.07Å; H434-H436 PolarHBondContact O-N 2.97Å; H434-C437 PolarHBondContact O-N 3.32Å; H434-C437 PolarHBondContact O-SG 2.99Å
435I81.5Confident83.9Confident4 Ų435.2 Ų35.22%0.02117%0.174CC..THydrogen-bonded Turntrans-57.5-23.2-173.2-165.9157.7000114.1L227 V231 I431 Y432 C437 L438 Y439L227-I435 HydrophobicContact CD2-CD1 4.33Å; L227-I435 HydrophobicContact CD2-CG1 4.1Å; V231-I435 HydrophobicContact CG2-CD1 3.5Å; V231-I435 VanDerWaalsContact CG2-CD1 3.5Å; I431-I435 PolarHBondContact O-N 2.92Å; I431-I435 VanDerWaalsContact O-N 3.1Å; Y432-I435 HydrophobicContact CD1-CD1 3.88Å; Y432-I435 HydrophobicContact CE1-CD1 4.3Å; Y432-I435 VanDerWaalsContact O-CG2 3.27Å; Y432-I435 WeakPolarHBondContact O-CG2 3.15Å; Y432-I435 PolarHBondContact O-N 2.98Å; I435-C437 VanDerWaalsContact C-N 3.3Å; I435-C437 PolarHBondContact O-N 3.15Å; I435-L438 HydrophobicContact CG1-CD1 4.27Å; I435-L438 VanDerWaalsContact O-CB 3.32Å; I435-L438 WeakPolarHBondContact O-CB 3.39Å; I435-L438 PolarHBondContact O-N 2.94Å; I435-Y439 HydrophobicContact CG1-CE2 4.21Å
436H77.7Confident84.2Confident9 Ų933.7 Ų33.74%0.04216%0.164CC..Hα-helixtrans-56.5-39.1-178.4-175-104.1000114I87 E89 F90 H434 L438 Y439 K440I87-H436 HydrophobicContact CG2-CB 3.91Å; E89-H436 IonicContact OE1-CE1 3.1Å; E89-H436 IonicContact OE1-CG 3.16Å; E89-H436 IonicContact OE1-ND1 2.82Å; E89-H436 PolarHBondContact OE1-ND1 3.43Å; E89-H436 IonicContact OE2-CE1 2.72Å; E89-H436 PolarHBondContact OE2-CE1 3.04Å; E89-H436 IonicContact OE2-CG 3.51Å; E89-H436 IonicContact OE2-ND1 3.07Å; E89-H436 PolarHBondContact OE2-ND1 2.67Å; E89-H436 IonicContact OE2-NE2 3.56Å; F90-H436 AromaticContact CD2-NE2 3.82Å; F90-H436 AromaticContact CE2-CD2 3.6Å; F90-H436 AromaticContact CE2-NE2 3.12Å; F90-H436 WeakPolarHBondContact CE2-NE2 3.41Å; F90-H436 AromaticContact CZ-NE2 3.82Å; H434-H436 PolarHBondContact O-N 2.97Å; H436-L438 PolarHBondContact O-N 3.21Å; H436-Y439 WeakPolarHBondContact O-CB 3.24Å; H436-Y439 PolarHBondContact O-N 3.42Å; H436-Y439 VanDerWaalsContact O-N 3.1Å; H436-K440 WeakPolarHBondContact CE1-CE 3.45Å; H436-K440 PolarHBondContact CE1-NZ 3.31Å; H436-K440 PolarHBondContact O-N 3.12Å
437C85.1Confident84.4Confident0 Ų027.1 Ų27.10%014%0.135CC..Hα-helixtrans-62.3-28.2179.367.70000111.8R285 F286 H434 I435 K440 L441R285-C437 HydrophobicContact CB-CB 4.21Å; F286-C437 HydrophobicContact CD1-CB 4.34Å; F286-C437 HydrophobicContact CE1-CB 3.77Å; F286-C437 WeakPolarHBondContact CE1-O 3.42Å; F286-C437 HydrophobicContact CE2-CB 4.45Å; F286-C437 HydrophobicContact CZ-CB 3.83Å; F286-C437 VanDerWaalsContact CZ-O 3.29Å; F286-C437 WeakPolarHBondContact CZ-O 3.49Å; H434-C437 PolarHBondContact O-N 3.32Å; H434-C437 PolarHBondContact O-SG 2.99Å; I435-C437 VanDerWaalsContact C-N 3.3Å; I435-C437 PolarHBondContact O-N 3.15Å; C437-K440 PolarHBondContact O-N 3.45Å; C437-L441 WeakPolarHBondContact O-CB 3.23Å; C437-L441 PolarHBondContact O-N 3.12Å
438L83.3Confident84.8Confident6 Ų626.8 Ų26.83%0.03113%0.134CC..Hα-helixtrans-71.5-31.8177.5-54.9178.2000112.6L227 L252 L256 F286 I435 H436 L441 S442L227-L438 HydrophobicContact CD1-CB 4.32Å; L227-L438 HydrophobicContact CD2-CB 3.57Å; L227-L438 HydrophobicContact CD2-CD1 3.88Å; L227-L438 HydrophobicContact CD2-CG 4.38Å; L227-L438 HydrophobicContact CG-CB 4.46Å; L252-L438 HydrophobicContact CD1-CD1 3.59Å; L252-L438 HydrophobicContact CD1-CD2 4Å; L252-L438 HydrophobicContact CD1-CG 4.48Å; L256-L438 HydrophobicContact CD2-CD2 3.83Å; F286-L438 HydrophobicContact CD1-CD2 4.33Å; F286-L438 HydrophobicContact CE1-CD2 4.19Å; I435-L438 HydrophobicContact CG1-CD1 4.27Å; I435-L438 VanDerWaalsContact O-CB 3.32Å; I435-L438 WeakPolarHBondContact O-CB 3.39Å; I435-L438 PolarHBondContact O-N 2.94Å; H436-L438 PolarHBondContact O-N 3.21Å; L438-L441 WeakPolarHBondContact O-CB 3.25Å; L438-L441 PolarHBondContact O-N 3.46Å; L438-S442 WeakPolarHBondContact O-CB 3.3Å; L438-S442 PolarHBondContact O-N 3.01Å
439Y78.6Confident85.3Confident2 Ų226.8 Ų26.81%0.00813%0.134CC..Hα-helixtrans-65.8-45.1171.5-76.6-84.2000111.4P9 Q10 I87 S126 K128 L227 I435 H436 L441 S442 D443P9-Y439 HydrophobicContact CB-CE1 4.47Å; P9-Y439 VanDerWaalsContact CB-OH 3.26Å; P9-Y439 WeakPolarHBondContact CB-OH 3.44Å; P9-Y439 HydrophobicContact CG-CE1 3.71Å; P9-Y439 WeakPolarHBondContact CG-OH 3.47Å; P9-Y439 WeakPolarHBondContact O-CE1 3.48Å; P9-Y439 PolarHBondContact O-OH 2.8Å; Q10-Y439 HydrophobicContact CG-CE1 4.23Å; I87-Y439 HydrophobicContact CD1-CD2 3.76Å; I87-Y439 HydrophobicContact CD1-CE2 3.4Å; I87-Y439 VanDerWaalsContact CD1-CE2 3.4Å; S126-Y439 PolarHBondContact O-OH 3.33Å; K128-Y439 HydrophobicContact CB-CD1 3.89Å; K128-Y439 HydrophobicContact CB-CE1 3.61Å; K128-Y439 HydrophobicContact CB-CG 4.45Å; K128-Y439 HydrophobicContact CD-CD1 3.89Å; K128-Y439 HydrophobicContact CD-CE1 4.39Å; K128-Y439 HydrophobicContact CD-CG 4.43Å; L227-Y439 HydrophobicContact CD1-CD1 4.18Å; L227-Y439 HydrophobicContact CD1-CE1 4.5Å; L227-Y439 HydrophobicContact CD1-CG 4.33Å; I435-Y439 HydrophobicContact CG1-CE2 4.21Å; H436-Y439 WeakPolarHBondContact O-CB 3.24Å; H436-Y439 PolarHBondContact O-N 3.42Å; H436-Y439 VanDerWaalsContact O-N 3.1Å; Y439-L441 VanDerWaalsContact C-N 3.3Å; Y439-L441 PolarHBondContact O-N 2.72Å; Y439-S442 WeakPolarHBondContact O-CB 3.31Å; Y439-S442 PolarHBondContact O-N 2.84Å; Y439-S442 VanDerWaalsContact O-N 3.16Å; Y439-D443 PolarHBondContact O-N 3.1Å
440K80.9Confident85.8Confident74 Ų7423.4 Ų23.432%0.32211%0.11SC..Hα-helixtrans-58.8-42173.9-76.8173.5159.6161.50111.5E89 H436 C437 D443 T444E89-K440 IonicContact OE2-NZ 2.68Å; E89-K440 PolarHBondContact OE2-NZ 3.47Å; H436-K440 WeakPolarHBondContact CE1-CE 3.45Å; H436-K440 PolarHBondContact CE1-NZ 3.31Å; H436-K440 PolarHBondContact O-N 3.12Å; C437-K440 PolarHBondContact O-N 3.45Å; K440-D443 PolarHBondContact O-N 2.94Å; K440-T444 VanDerWaalsContact O-CB 3.32Å; K440-T444 WeakPolarHBondContact O-CB 3.08Å; K440-T444 PolarHBondContact O-N 2.92Å; K440-T444 PolarHBondContact O-OG1 2.96Å
441L87.9Confident86.3Confident3 Ų319.6 Ų19.62%0.0169%0.092CC..Hα-helixtrans-60.4-46174.1178.763.4000111.4T255 V259 L281 F286 C437 L438 Y439 T444 V445T255-L441 HydrophobicContact CG2-CD2 3.99Å; V259-L441 HydrophobicContact CG2-CD1 4.01Å; V259-L441 HydrophobicContact CG2-CD2 3.69Å; L281-L441 HydrophobicContact CD2-CD1 3.5Å; F286-L441 HydrophobicContact CE1-CB 3.94Å; F286-L441 HydrophobicContact CE1-CD2 4.08Å; F286-L441 HydrophobicContact CZ-CB 3.94Å; C437-L441 WeakPolarHBondContact O-CB 3.23Å; C437-L441 PolarHBondContact O-N 3.12Å; L438-L441 WeakPolarHBondContact O-CB 3.25Å; L438-L441 PolarHBondContact O-N 3.46Å; Y439-L441 VanDerWaalsContact C-N 3.3Å; Y439-L441 PolarHBondContact O-N 2.72Å; L441-T444 WeakPolarHBondContact O-CB 3.5Å; L441-T444 PolarHBondContact O-N 3.11Å; L441-V445 HydrophobicContact CD1-CG2 3.98Å; L441-V445 HydrophobicContact CG-CG2 4.35Å; L441-V445 WeakPolarHBondContact O-CG2 3.46Å; L441-V445 PolarHBondContact O-N 2.9Å
442S84.2Confident86.8Confident2 Ų219.9 Ų19.91%0.0149%0.094CC..Hα-helixtrans-63-44179.6-164.90000112.7T223 E224 L438 Y439 T444 S446T223-S442 PolarHBondContact OG1-OG 3.45Å; E224-S442 WeakPolarHBondContact CG-OG 3.45Å; L438-S442 WeakPolarHBondContact O-CB 3.3Å; L438-S442 PolarHBondContact O-N 3.01Å; Y439-S442 WeakPolarHBondContact O-CB 3.31Å; Y439-S442 PolarHBondContact O-N 2.84Å; Y439-S442 VanDerWaalsContact O-N 3.16Å; S442-T444 VanDerWaalsContact C-N 3.3Å; S442-T444 PolarHBondContact O-N 3.07Å; S442-S446 WeakPolarHBondContact O-CB 3.46Å; S442-S446 PolarHBondContact O-N 3.49Å; S442-S446 PolarHBondContact O-OG 3.36Å
443D81.8Confident87.5Confident45 Ų4518.4 Ų18.424%0.2419%0.088CC..Hα-helixtrans-62.8-39.3175.1-71.1-28.2000111K128 Y439 K440 S446 M447K128-D443 IonicContact NZ-OD1 3.6Å; K128-D443 PolarHBondContact NZ-OD1 2.94Å; K128-D443 IonicContact NZ-OD2 2.81Å; K128-D443 PolarHBondContact NZ-OD2 2.96Å; Y439-D443 PolarHBondContact O-N 3.1Å; K440-D443 PolarHBondContact O-N 2.94Å; D443-S446 PolarHBondContact O-OG 2.88Å; D443-M447 WeakPolarHBondContact O-CB 3.31Å; D443-M447 PolarHBondContact O-N 2.79Å; D443-M447 VanDerWaalsContact O-N 3.07Å
444T88.9Confident88.2Confident5 Ų511 Ų113%0.0315%0.053CC..Hα-helixtrans-66.5-50.5178-60.30000111.7Y277 K440 L441 S442 S446 M447 L448Y277-T444 HydrophobicContact CD1-CG2 3.57Å; Y277-T444 HydrophobicContact CD2-CG2 4.45Å; Y277-T444 HydrophobicContact CE1-CG2 4.34Å; Y277-T444 HydrophobicContact CG-CG2 3.67Å; K440-T444 VanDerWaalsContact O-CB 3.32Å; K440-T444 WeakPolarHBondContact O-CB 3.08Å; K440-T444 PolarHBondContact O-N 2.92Å; K440-T444 PolarHBondContact O-OG1 2.96Å; L441-T444 WeakPolarHBondContact O-CB 3.5Å; L441-T444 PolarHBondContact O-N 3.11Å; S442-T444 VanDerWaalsContact C-N 3.3Å; S442-T444 PolarHBondContact O-N 3.07Å; T444-S446 PolarHBondContact O-N 3.44Å; T444-M447 PolarHBondContact O-N 3.29Å; T444-L448 HydrophobicContact CG2-CD1 3.78Å; T444-L448 HydrophobicContact CG2-CG 4.35Å; T444-L448 WeakPolarHBondContact O-CB 3.41Å; T444-L448 VanDerWaalsContact O-CG 3.28Å; T444-L448 WeakPolarHBondContact O-CG 3.29Å; T444-L448 PolarHBondContact O-N 3.49Å
445V91.1Very high88.8Confident2 Ų28.7 Ų8.71%0.0124%0.043CC..Hα-helixtrans-62.7-43.4-179.9172.20000110.9T172 F220 L262 L441 L448 D449T172-V445 HydrophobicContact CG2-CG1 4.31Å; F220-V445 HydrophobicContact CB-CG1 4.25Å; F220-V445 HydrophobicContact CD1-CG1 4.26Å; F220-V445 HydrophobicContact CD1-CG2 4.06Å; F220-V445 HydrophobicContact CD2-CG1 4.44Å; F220-V445 HydrophobicContact CE1-CG2 3.8Å; F220-V445 HydrophobicContact CE2-CG2 4.32Å; F220-V445 HydrophobicContact CG-CG1 4.07Å; F220-V445 HydrophobicContact CG-CG2 4.44Å; F220-V445 HydrophobicContact CZ-CG2 3.94Å; L262-V445 HydrophobicContact CD2-CG2 4.1Å; L441-V445 HydrophobicContact CD1-CG2 3.98Å; L441-V445 HydrophobicContact CG-CG2 4.35Å; L441-V445 WeakPolarHBondContact O-CG2 3.46Å; L441-V445 PolarHBondContact O-N 2.9Å; V445-L448 PolarHBondContact O-N 2.79Å; V445-D449 VanDerWaalsContact O-CB 3.27Å; V445-D449 WeakPolarHBondContact O-CB 3.31Å; V445-D449 PolarHBondContact O-N 3.25Å
446S87.9Confident89.5Confident2 Ų210.4 Ų10.41%0.0145%0.05CC..Hα-helixtrans-65.4-38.4178.560.40000112.9S442 D443 T444 M450S442-S446 WeakPolarHBondContact O-CB 3.46Å; S442-S446 PolarHBondContact O-N 3.49Å; S442-S446 PolarHBondContact O-OG 3.36Å; D443-S446 PolarHBondContact O-OG 2.88Å; T444-S446 PolarHBondContact O-N 3.44Å; S446-M450 PolarHBondContact O-N 2.82Å; S446-M450 VanDerWaalsContact O-N 3.13Å
447M90Very high90.3Very high15 Ų1510.1 Ų10.17%0.0745%0.05CC..Hα-helixtrans-68.7-46.8174.7-170.571.975.500111.9Y277 D443 T444 D449 M450 L451Y277-M447 HydrophobicContact CE2-CB 4.45Å; Y277-M447 HydrophobicContact CE2-CG 4.23Å; Y277-M447 VanDerWaalsContact OH-CG 3.27Å; Y277-M447 WeakPolarHBondContact OH-CG 3.44Å; D443-M447 WeakPolarHBondContact O-CB 3.31Å; D443-M447 PolarHBondContact O-N 2.79Å; D443-M447 VanDerWaalsContact O-N 3.07Å; T444-M447 PolarHBondContact O-N 3.29Å; M447-D449 VanDerWaalsContact C-N 3.29Å; M447-D449 PolarHBondContact O-N 3.02Å; M447-M450 WeakPolarHBondContact O-CB 3.28Å; M447-M450 PolarHBondContact O-N 2.93Å; M447-M450 HydrophobicContact SD-CE 3.43Å; M447-M450 WeakPolarHBondContact SD-CE 3.39Å; M447-L451 HydrophobicContact CG-CD1 4.07Å; M447-L451 HydrophobicContact CG-CG 4.34Å; M447-L451 WeakPolarHBondContact O-CG 3.28Å; M447-L451 PolarHBondContact O-N 3.33Å
448L94.5Very high90.7Very high2 Ų211 Ų111%0.016%0.056CC..Hα-helixtrans-59.3-42.2178.6-72.2171.6000111.4I217 L262 L266 L274 Y277 T444 V445 M450 L451 L452I217-L448 HydrophobicContact CD1-CB 3.6Å; L262-L448 HydrophobicContact CD1-CD1 4.29Å; L262-L448 HydrophobicContact CD2-CD1 4.46Å; L266-L448 HydrophobicContact CD1-CD1 4.01Å; L266-L448 HydrophobicContact CD2-CD2 4.45Å; L274-L448 HydrophobicContact CD2-CD2 3.44Å; L274-L448 VanDerWaalsContact CD2-CD2 3.44Å; Y277-L448 HydrophobicContact CD2-CD2 3.85Å; Y277-L448 HydrophobicContact CD2-CG 4.19Å; Y277-L448 HydrophobicContact CE2-CD2 4.35Å; T444-L448 HydrophobicContact CG2-CD1 3.78Å; T444-L448 HydrophobicContact CG2-CG 4.35Å; T444-L448 WeakPolarHBondContact O-CB 3.41Å; T444-L448 VanDerWaalsContact O-CG 3.28Å; T444-L448 WeakPolarHBondContact O-CG 3.29Å; T444-L448 PolarHBondContact O-N 3.49Å; V445-L448 PolarHBondContact O-N 2.79Å; L448-M450 PolarHBondContact O-N 3Å; L448-L451 PolarHBondContact O-N 3.4Å; L448-L452 WeakPolarHBondContact O-CB 3.25Å; L448-L452 WeakPolarHBondContact O-CG 3.23Å; L448-L452 PolarHBondContact O-N 3.36Å
449D95.2Very high91.1Very high2 Ų214.7 Ų14.71%0.0118%0.079CC..Hα-helixtrans-63.9-39.4176.7-169.626.8000112.2T170 K171 T172 I217 V445 M447 S453T170-D449 WeakPolarHBondContact CA-OD1 3.25Å; T170-D449 WeakPolarHBondContact CB-OD2 3.37Å; K171-D449 PolarHBondContact N-OD1 3.33Å; K171-D449 PolarHBondContact N-OD2 2.82Å; K171-D449 VanDerWaalsContact N-OD2 3.16Å; T172-D449 WeakPolarHBondContact CA-OD2 3.24Å; T172-D449 VanDerWaalsContact CB-OD2 3.3Å; T172-D449 WeakPolarHBondContact CB-OD2 3.49Å; T172-D449 PolarHBondContact N-OD2 2.84Å; T172-D449 PolarHBondContact OG1-OD2 2.91Å; I217-D449 HydrophobicContact CG2-CB 3.81Å; V445-D449 VanDerWaalsContact O-CB 3.27Å; V445-D449 WeakPolarHBondContact O-CB 3.31Å; V445-D449 PolarHBondContact O-N 3.25Å; M447-D449 VanDerWaalsContact C-N 3.29Å; M447-D449 PolarHBondContact O-N 3.02Å; D449-S453 WeakPolarHBondContact O-CB 3.24Å; D449-S453 PolarHBondContact O-N 2.92Å
450M94.6Very high91.6Very high0 Ų019.4 Ų19.40%010%0.104CC..Hα-helixtrans-64.4-43.6173.3-174.3-173.480.100112.2R178 L179 N182 S446 M447 L448 S453 F454R178-M450 HydrophobicContact CB-SD 4.48Å; R178-M450 HydrophobicContact CG-SD 3.9Å; L179-M450 HydrophobicContact CB-CG 4.09Å; L179-M450 HydrophobicContact CB-SD 4.44Å; L179-M450 HydrophobicContact CD1-CG 4.18Å; N182-M450 HydrophobicContact CB-SD 4.22Å; S446-M450 PolarHBondContact O-N 2.82Å; S446-M450 VanDerWaalsContact O-N 3.13Å; M447-M450 WeakPolarHBondContact O-CB 3.28Å; M447-M450 PolarHBondContact O-N 2.93Å; M447-M450 HydrophobicContact SD-CE 3.43Å; M447-M450 WeakPolarHBondContact SD-CE 3.39Å; L448-M450 PolarHBondContact O-N 3Å; M450-S453 WeakPolarHBondContact O-CB 3.42Å; M450-S453 PolarHBondContact O-N 3.36Å; M450-F454 HydrophobicContact CE-CE2 3.97Å; M450-F454 HydrophobicContact CE-CZ 4.29Å; M450-F454 HydrophobicContact CG-CE1 4.41Å; M450-F454 HydrophobicContact CG-CE2 4.22Å; M450-F454 HydrophobicContact CG-CZ 3.97Å; M450-F454 PolarHBondContact O-N 3.48Å; M450-F454 VanDerWaalsContact O-N 3.09Å; M450-F454 HydrophobicContact SD-CE2 4.49Å; M450-F454 HydrophobicContact SD-CZ 4.24Å
451L96Very high91.9Very high0 Ų017 Ų170%010%0.096CC..Hα-helixtrans-66.6-40.5178.3-66.9172.5000111.8R196 C199 V200 L203 L273 M447 L448 S453 F454 A455R196-L451 HydrophobicContact CB-CD2 4Å; R196-L451 HydrophobicContact CG-CD2 4.16Å; C199-L451 HydrophobicContact CB-CD1 4Å; V200-L451 HydrophobicContact CG2-CD2 4.13Å; L203-L451 HydrophobicContact CD1-CB 4.18Å; L273-L451 HydrophobicContact CD2-CD1 4.29Å; M447-L451 HydrophobicContact CG-CD1 4.07Å; M447-L451 HydrophobicContact CG-CG 4.34Å; M447-L451 WeakPolarHBondContact O-CG 3.28Å; M447-L451 PolarHBondContact O-N 3.33Å; L448-L451 PolarHBondContact O-N 3.4Å; L451-S453 PolarHBondContact O-N 2.95Å; L451-F454 HydrophobicContact CD2-CD2 4.39Å; L451-F454 PolarHBondContact O-N 3.3Å; L451-A455 PolarHBondContact O-N 3.5Å
452L96.3Very high91.9Very high9 Ų922.4 Ų22.45%0.04713%0.125CC..Hα-helixtrans-59.5-38.2170.6-78.6-178000111.8L203 F210 L213 Q214 I217 L448 F454 A455 H456L203-L452 HydrophobicContact CD1-CD2 4.16Å; L203-L452 HydrophobicContact CD2-CD2 3.93Å; F210-L452 HydrophobicContact CD2-CD2 3.87Å; F210-L452 HydrophobicContact CE2-CD2 4.19Å; L213-L452 HydrophobicContact CB-CD1 3.92Å; L213-L452 HydrophobicContact CB-CD2 4.02Å; L213-L452 HydrophobicContact CB-CG 4.39Å; L213-L452 HydrophobicContact CD1-CD2 4.35Å; Q214-L452 HydrophobicContact CB-CD1 4.46Å; I217-L452 HydrophobicContact CB-CD1 4.48Å; I217-L452 HydrophobicContact CD1-CD1 3.71Å; L448-L452 WeakPolarHBondContact O-CB 3.25Å; L448-L452 WeakPolarHBondContact O-CG 3.23Å; L448-L452 PolarHBondContact O-N 3.36Å; L452-F454 VanDerWaalsContact C-N 3.34Å; L452-A455 PolarHBondContact O-N 2.89Å; L452-H456 VanDerWaalsContact O-CB 3.25Å; L452-H456 WeakPolarHBondContact O-CB 3.48Å; L452-H456 PolarHBondContact O-N 3.34Å
453S96.8Very high92.4Very high1 Ų123.5 Ų23.51%0.00713%0.129CC..Hα-helixtrans-62.1-41.2176.4-164.50000112L167 Y169 T170 D449 M450 L451 H456 A457L167-S453 PolarHBondContact O-OG 3.47Å; Y169-S453 WeakPolarHBondContact CA-OG 3.42Å; Y169-S453 PolarHBondContact N-OG 3.37Å; T170-S453 PolarHBondContact N-OG 2.87Å; D449-S453 WeakPolarHBondContact O-CB 3.24Å; D449-S453 PolarHBondContact O-N 2.92Å; M450-S453 WeakPolarHBondContact O-CB 3.42Å; M450-S453 PolarHBondContact O-N 3.36Å; L451-S453 PolarHBondContact O-N 2.95Å; S453-H456 PolarHBondContact O-N 3.39Å; S453-A457 PolarHBondContact O-N 2.9Å
454F97.1Very high93.1Very high0 Ų023.1 Ų23.10%013%0.128CC..Hα-helixtrans-65.7-47.1174.1-64.2-21.9000112.1L167 L179 V200 M450 L451 L452 H456 A457 C458 I530L167-F454 HydrophobicContact CB-CE1 4.49Å; L167-F454 HydrophobicContact CD1-CE1 4.25Å; L167-F454 HydrophobicContact CD2-CD1 4.31Å; L179-F454 HydrophobicContact CD1-CE1 3.44Å; L179-F454 VanDerWaalsContact CD1-CE1 3.44Å; L179-F454 HydrophobicContact CD1-CZ 3.81Å; V200-F454 HydrophobicContact CG2-CB 3.92Å; V200-F454 HydrophobicContact CG2-CD2 4.27Å; M450-F454 HydrophobicContact CE-CE2 3.97Å; M450-F454 HydrophobicContact CE-CZ 4.29Å; M450-F454 HydrophobicContact CG-CE1 4.41Å; M450-F454 HydrophobicContact CG-CE2 4.22Å; M450-F454 HydrophobicContact CG-CZ 3.97Å; M450-F454 PolarHBondContact O-N 3.48Å; M450-F454 VanDerWaalsContact O-N 3.09Å; M450-F454 HydrophobicContact SD-CE2 4.49Å; M450-F454 HydrophobicContact SD-CZ 4.24Å; L451-F454 HydrophobicContact CD2-CD2 4.39Å; L451-F454 PolarHBondContact O-N 3.3Å; L452-F454 VanDerWaalsContact C-N 3.34Å; F454-H456 VanDerWaalsContact C-N 3.31Å; F454-H456 PolarHBondContact O-N 2.84Å; F454-A457 WeakPolarHBondContact O-CB 3.47Å; F454-A457 PolarHBondContact O-N 3.48Å; F454-C458 PolarHBondContact O-N 2.8Å; F454-C458 VanDerWaalsContact O-N 3.14Å; F454-C458 PolarHBondContact O-SG 2.85Å; F454-I530 HydrophobicContact CE1-CD1 3.92Å; F454-I530 HydrophobicContact CE2-CG1 4.43Å; F454-I530 HydrophobicContact CZ-CB 4.39Å; F454-I530 HydrophobicContact CZ-CD1 3.68Å; F454-I530 HydrophobicContact CZ-CG1 3.91Å
455A96Very high93.4Very high0 Ų026.5 Ų26.50%014%0.14CC..Hα-helixtrans-58.7-45175.600000110.9V200 L203 L204 F210 L451 L452 A457 C458 T459V200-A455 HydrophobicContact CG1-CB 4.41Å; L203-A455 HydrophobicContact CB-CB 3.85Å; L203-A455 HydrophobicContact CD1-CB 4.29Å; L204-A455 HydrophobicContact CD2-CB 4.17Å; L204-A455 WeakPolarHBondContact CD2-O 3.39Å; L204-A455 HydrophobicContact CG-CB 4.3Å; F210-A455 HydrophobicContact CD2-CB 4.07Å; F210-A455 HydrophobicContact CE2-CB 3.85Å; L451-A455 PolarHBondContact O-N 3.5Å; L452-A455 PolarHBondContact O-N 2.89Å; A455-A457 VanDerWaalsContact C-N 3.34Å; A455-A457 PolarHBondContact O-N 3.12Å; A455-C458 WeakPolarHBondContact O-CB 3.48Å; A455-C458 PolarHBondContact O-N 3.09Å; A455-T459 PolarHBondContact O-N 2.94Å; A455-T459 VanDerWaalsContact O-N 3.07Å
456H95.3Very high93.7Very high39 Ų3926.6 Ų26.618%0.18114%0.141CC..Hα-helixtrans-60-41.1176.6-171.2-76.2000112.2Y169 F210 L452 S453 F454 C458 T459 L460Y169-H456 AromaticContact CD1-CE1 3.48Å; Y169-H456 VanDerWaalsContact CD1-CE1 3.48Å; Y169-H456 WeakPolarHBondContact CD1-CE1 3.47Å; Y169-H456 AromaticContact CD1-ND1 3.34Å; Y169-H456 VanDerWaalsContact CD1-ND1 3.34Å; Y169-H456 WeakPolarHBondContact CD1-ND1 3.45Å; Y169-H456 AromaticContact CD2-ND1 3.71Å; Y169-H456 AromaticContact CE1-CE1 3.86Å; Y169-H456 AromaticContact CE1-ND1 3.81Å; Y169-H456 HydrophobicContact CG-CB 4.4Å; Y169-H456 AromaticContact CG-CE1 3.9Å; Y169-H456 AromaticContact CG-ND1 3.28Å; Y169-H456 VanDerWaalsContact CG-ND1 3.28Å; F210-H456 HydrophobicContact CE2-CB 4.24Å; F210-H456 HydrophobicContact CZ-CB 3.92Å; F210-H456 AromaticContact CZ-CD2 3.92Å; L452-H456 VanDerWaalsContact O-CB 3.25Å; L452-H456 WeakPolarHBondContact O-CB 3.48Å; L452-H456 PolarHBondContact O-N 3.34Å; S453-H456 PolarHBondContact O-N 3.39Å; F454-H456 VanDerWaalsContact C-N 3.31Å; F454-H456 PolarHBondContact O-N 2.84Å; H456-C458 VanDerWaalsContact C-N 3.28Å; H456-C458 PolarHBondContact O-N 3.32Å; H456-T459 PolarHBondContact O-N 3.26Å; H456-T459 VanDerWaalsContact O-N 3.17Å; H456-T459 PolarHBondContact O-OG1 3.34Å; H456-L460 PolarHBondContact O-N 3.2Å
457A94.3Very high94.1Very high4 Ų430.3 Ų30.33%0.03316%0.158CC..Hα-helixtrans-59.9-39.2174.800000112L167 Y169 S453 F454 A455 T459 L460 S461 Y463L167-A457 HydrophobicContact CD2-CB 4.41Å; Y169-A457 HydrophobicContact CD2-CB 4.18Å; Y169-A457 HydrophobicContact CE2-CB 3.99Å; S453-A457 PolarHBondContact O-N 2.9Å; F454-A457 WeakPolarHBondContact O-CB 3.47Å; F454-A457 PolarHBondContact O-N 3.48Å; A455-A457 VanDerWaalsContact C-N 3.34Å; A455-A457 PolarHBondContact O-N 3.12Å; A457-T459 VanDerWaalsContact C-N 3.3Å; A457-T459 PolarHBondContact O-N 3.42Å; A457-L460 PolarHBondContact O-N 3.24Å; A457-S461 PolarHBondContact O-N 3.37Å; A457-Y463 HydrophobicContact CB-CE2 4.45Å
458C93.4Very high94.3Very high18 Ų1831.6 Ų31.612%0.12216%0.163CC..Hα-helixtrans-72.3-20.4177.6-53.40000113.5L204 F454 A455 H456 L460 S461 Y533L204-C458 HydrophobicContact CD1-CB 3.86Å; L204-C458 HydrophobicContact CD2-CB 3.87Å; L204-C458 HydrophobicContact CG-CB 4.5Å; F454-C458 PolarHBondContact O-N 2.8Å; F454-C458 VanDerWaalsContact O-N 3.14Å; F454-C458 PolarHBondContact O-SG 2.85Å; A455-C458 WeakPolarHBondContact O-CB 3.48Å; A455-C458 PolarHBondContact O-N 3.09Å; H456-C458 VanDerWaalsContact C-N 3.28Å; H456-C458 PolarHBondContact O-N 3.32Å; C458-L460 VanDerWaalsContact C-N 3.31Å; C458-S461 CarbonylContact C-O 3.03Å; C458-S461 WeakPolarHBondContact CA-O 3.44Å; C458-Y533 VanDerWaalsContact SG-CB 3.59Å
459T91.6Very high94.1Very high84 Ų8432.9 Ų32.952%0.51517%0.172SC..Hα-helixtrans-75.9-21.4171.864.20000112.9L204 A455 H456 A457L204-T459 HydrophobicContact CD2-CG2 4.01Å; A455-T459 PolarHBondContact O-N 2.94Å; A455-T459 VanDerWaalsContact O-N 3.07Å; H456-T459 PolarHBondContact O-N 3.26Å; H456-T459 VanDerWaalsContact O-N 3.17Å; H456-T459 PolarHBondContact O-OG1 3.34Å; A457-T459 VanDerWaalsContact C-N 3.3Å; A457-T459 PolarHBondContact O-N 3.42Å
460L89.5Confident93.8Very high101 Ų10136.2 Ų36.253%0.52919%0.19SC..Hα-helixtrans-92.2-33.8-179.5-65.8174000112.7Y169 H456 A457 C458Y169-L460 HydrophobicContact CE1-CD1 3.62Å; Y169-L460 HydrophobicContact CE2-CD1 4.04Å; Y169-L460 WeakPolarHBondContact OH-CD1 3.42Å; H456-L460 PolarHBondContact O-N 3.2Å; A457-L460 PolarHBondContact O-N 3.24Å; C458-L460 VanDerWaalsContact C-N 3.31Å
461S86.8Confident93.7Very high23 Ų2336.9 Ų36.916%0.16119%0.193CC..SBendtrans-133.8146.3-177.6-72.20000110.7A457 C458 Y463 E483A457-S461 PolarHBondContact O-N 3.37Å; C458-S461 CarbonylContact C-O 3.03Å; C458-S461 WeakPolarHBondContact CA-O 3.44Å; S461-Y463 PolarHBondContact O-N 3.11Å; S461-E483 WeakPolarHBondContact CB-OE1 3.36Å; S461-E483 PolarHBondContact OG-OE1 3.06Å
462D88.1Confident93.6Very high117 Ų11736.9 Ų36.963%0.62619%0.193SC*.  trans-72.469.7-177.3-52.1-54.4000112.4W478 K489D462-W478 WeakPolarHBondContact O-CH2 3.31Å; D462-K489 IonicContact OD2-NZ 2.76Å; D462-K489 PolarHBondContact OD2-NZ 3.29Å; D462-K489 VanDerWaalsContact OD2-NZ 3.16Å
463Y95Very high93.6Very high24 Ų2437 Ų379%0.09420%0.196CC..  trans-84.7147177.7-65.6-4.1000111A457 S461 W478 E483 M527 V534 P535A457-Y463 HydrophobicContact CB-CE2 4.45Å; S461-Y463 PolarHBondContact O-N 3.11Å; Y463-W478 HydrophobicContact CD1-CZ2 4.32Å; Y463-W478 HydrophobicContact CE1-CZ2 4.42Å; Y463-E483 PolarHBondContact OH-OE2 3.33Å; Y463-M527 HydrophobicContact CD2-CE 4.11Å; Y463-M527 HydrophobicContact CE2-CE 3.69Å; Y463-V534 CarbonylContact C-O 3.58Å; Y463-V534 WeakPolarHBondContact CA-O 3.47Å; Y463-P535 HydrophobicContact CD1-CB 3.92Å; Y463-P535 HydrophobicContact CE1-CB 3.68Å
464V96Very high93.5Very high38 Ų3837.1 Ų37.123%0.2320%0.196CC..BIsolated β-bridgetrans-109.3146.4-17973.60000111.4P466 Y533 V534 A536 A539V464-P466 WeakPolarHBondContact O-CD 3.21Å; V464-Y533 WeakPolarHBondContact O-CA 3.47Å; V464-Y533 VanDerWaalsContact O-CB 3.31Å; V464-Y533 WeakPolarHBondContact O-CB 3.43Å; V464-V534 HydrophobicContact CG1-CG2 3.93Å; V464-V534 PolarHBondContact N-O 3.07Å; V464-V534 PolarHBondContact O-N 3.4Å; V464-A536 WeakPolarHBondContact CB-O 3.26Å; V464-A536 HydrophobicContact CG1-CB 4.07Å; V464-A536 WeakPolarHBondContact CG1-O 3.48Å; V464-A539 HydrophobicContact CG1-CB 4.25Å
465R96.9Very high93.4Very high75 Ų7542 Ų4228%0.28322%0.218SC..  trans-64.9122172.4-175.2174.9170145.15.1109.5D198 Y533D198-R465 IonicContact OD1-CZ 3.67Å; D198-R465 IonicContact OD1-NH1 3.19Å; D198-R465 PolarHBondContact OD1-NH1 3.4Å; D198-R465 IonicContact OD1-NH2 3.48Å; D198-R465 PolarHBondContact OD1-NH2 2.95Å; R465-Y533 HydrophobicContact CB-CD1 4.36Å; R465-Y533 HydrophobicContact CB-CD2 4.25Å; R465-Y533 HydrophobicContact CB-CE1 3.94Å; R465-Y533 HydrophobicContact CB-CE2 3.79Å; R465-Y533 HydrophobicContact CG-CE1 4.02Å
466P96.8Very high93.3Very high4 Ų445 Ų453%0.02623%0.232CC..  trans-77.9151.717731.6-35.2000112L197 V464 A528 V534 A539 F541L197-P466 HydrophobicContact CD1-CG 4.01Å; L197-P466 HydrophobicContact CD2-CG 4.1Å; V464-P466 WeakPolarHBondContact O-CD 3.21Å; P466-A528 HydrophobicContact CB-CB 3.92Å; P466-A528 HydrophobicContact CG-CB 3.87Å; P466-V534 HydrophobicContact CB-CG1 4.42Å; P466-V534 HydrophobicContact CB-CG2 4.3Å; P466-V534 HydrophobicContact CG-CG1 4.38Å; P466-A539 WeakPolarHBondContact CA-O 3.37Å; P466-F541 HydrophobicContact CB-CD2 3.84Å; P466-F541 HydrophobicContact CB-CE2 3.85Å
467E95.4Very high93.3Very high80 Ų8043.2 Ų43.237%0.37422%0.223SC..EExtended strand (participates in β ladder)trans-107.7143.2171.5-65.5179.6-173.200111.1Y538 A539 S540 F541E467-Y538 PolarHBondContact OE2-OH 3.14Å; E467-A539 PolarHBondContact N-O 3.33Å; E467-S540 CarbonylContact O-C 3.59Å; E467-S540 WeakPolarHBondContact O-CA 3.29Å; E467-S540 PolarHBondContact O-OG 3.33Å; E467-S540 VanDerWaalsContact O-OG 3.12Å; E467-F541 PolarHBondContact O-N 3.04Å
468F94.2Very high93.3Very high42 Ų4243.8 Ų43.818%0.18423%0.225CC..EExtended strand (participates in β ladder)trans-100.5114.4175.7-67.7-79.3000110.8V190 I193 L197 A528 Q529 F541 I543V190-F468 HydrophobicContact CG1-CB 4.03Å; V190-F468 HydrophobicContact CG1-CD2 4.38Å; V190-F468 HydrophobicContact CG1-CG 4.35Å; I193-F468 HydrophobicContact CB-CE2 4.21Å; I193-F468 HydrophobicContact CB-CZ 4.45Å; I193-F468 HydrophobicContact CD1-CE1 4.42Å; I193-F468 HydrophobicContact CD1-CZ 4.17Å; I193-F468 HydrophobicContact CG2-CD2 4.41Å; I193-F468 HydrophobicContact CG2-CE2 3.37Å; I193-F468 HydrophobicContact CG2-CZ 3.55Å; L197-F468 HydrophobicContact CD1-CE2 3.95Å; F468-A528 HydrophobicContact CE1-CB 4.26Å; F468-A528 HydrophobicContact CZ-CB 3.98Å; F468-A528 WeakPolarHBondContact CZ-O 3.34Å; F468-Q529 HydrophobicContact CE1-CG 4.27Å; F468-F541 VanDerWaalsContact CA-O 3.32Å; F468-F541 WeakPolarHBondContact CA-O 3.39Å; F468-F541 HydrophobicContact CD1-CB 4.4Å; F468-F541 HydrophobicContact CE1-CB 4.34Å; F468-I543 HydrophobicContact CD1-CD1 3.31Å; F468-I543 HydrophobicContact CD1-CG1 4.01Å; F468-I543 HydrophobicContact CE1-CD1 3.5Å; F468-I543 HydrophobicContact CG-CD1 4.11Å; F468-I543 HydrophobicContact CZ-CD1 4.44Å
469T92.1Very high93.3Very high30 Ų3043.4 Ų43.418%0.18422%0.221CC..SBendtrans-137.6-177.3179.171.40000110.3T471 S540 F541 R542T469-T471 PolarHBondContact O-N 3.48Å; T469-T471 VanDerWaalsContact O-N 3.14Å; T469-T471 PolarHBondContact OG1-N 3.22Å; T469-T471 PolarHBondContact OG1-O 3.21Å; T469-T471 PolarHBondContact OG1-OG1 2.89Å; T469-S540 WeakPolarHBondContact CB-OG 3.25Å; T469-S540 VanDerWaalsContact CG2-OG 3.28Å; T469-S540 WeakPolarHBondContact CG2-OG 3.29Å; T469-S540 PolarHBondContact OG1-OG 3.18Å; T469-F541 PolarHBondContact N-O 2.87Å; T469-F541 CarbonylContact O-C 3.47Å; T469-F541 VanDerWaalsContact O-O 3.1Å; T469-R542 WeakPolarHBondContact O-CA 3.46Å; T469-R542 PolarHBondContact O-N 2.83Å
470D88.9Confident93.4Very high72 Ų7239.5 Ų39.539%0.38520%0.197SC..SBendtrans-75.16.6174.6-58.3-31000113.7
471T91Very high93.5Very high13 Ų1334.8 Ų34.88%0.0817%0.172CC..SBendtrans-125.8150.3-173.3650000112T469 T498 S540 F541 R542T469-T471 PolarHBondContact O-N 3.48Å; T469-T471 VanDerWaalsContact O-N 3.14Å; T469-T471 PolarHBondContact OG1-N 3.22Å; T469-T471 PolarHBondContact OG1-O 3.21Å; T469-T471 PolarHBondContact OG1-OG1 2.89Å; T471-T498 HydrophobicContact CG2-CG2 3.97Å; T471-S540 CarbonylContact O-C 3.59Å; T471-F541 CarbonylContact O-C 3.55Å; T471-F541 WeakPolarHBondContact O-CA 3.31Å; T471-F541 PolarHBondContact O-N 3.12Å; T471-R542 PolarHBondContact O-N 2.87Å; T471-R542 VanDerWaalsContact O-N 3.1Å
472L95Very high93.7Very high0 Ų036.9 Ų36.90%018%0.182CC..EExtended strand (participates in β ladder)trans-102.9104.9166.4-174.4163.1000107.1I474 T495 Y496 I497 I521 S540 F541 L583 F615L472-I474 HydrophobicContact CD2-CD1 4.15Å; L472-I474 HydrophobicContact CD2-CG1 4.14Å; L472-T495 HydrophobicContact CD2-CG2 3.41Å; L472-T495 VanDerWaalsContact CD2-CG2 3.41Å; L472-Y496 CarbonylContact O-C 3.59Å; L472-Y496 VanDerWaalsContact O-CA 3.31Å; L472-Y496 WeakPolarHBondContact O-CA 3.27Å; L472-I497 HydrophobicContact CB-CB 4.19Å; L472-I497 HydrophobicContact CD2-CD1 4.37Å; L472-I497 HydrophobicContact CD2-CG1 4.49Å; L472-I497 PolarHBondContact N-O 2.97Å; L472-I497 PolarHBondContact O-N 2.74Å; L472-I521 HydrophobicContact CD1-CG2 3.88Å; L472-I521 HydrophobicContact CD2-CG2 4.24Å; L472-S540 CarbonylContact C-O 3.44Å; L472-S540 WeakPolarHBondContact CA-O 3.34Å; L472-F541 HydrophobicContact CG-CD1 4.17Å; L472-L583 HydrophobicContact CD1-CD1 4.19Å; L472-F615 HydrophobicContact CB-CD2 3.98Å; L472-F615 HydrophobicContact CB-CE2 3.85Å
473A95.1Very high93.8Very high12 Ų1233 Ų3310%0.09916%0.16CC..EExtended strand (participates in β ladder)trans-128.7109.4-178.300000109.3T495 Y496 Y538 A539 S540A473-T495 CarbonylContact C-O 3.57Å; A473-T495 WeakPolarHBondContact CA-O 3.49Å; A473-Y496 HydrophobicContact CB-CD2 3.82Å; A473-Y496 HydrophobicContact CB-CE2 4.14Å; A473-Y538 HydrophobicContact CB-CE1 4.34Å; A473-A539 CarbonylContact O-C 3.6Å; A473-A539 VanDerWaalsContact O-CA 3.29Å; A473-A539 WeakPolarHBondContact O-CA 3.45Å; A473-S540 PolarHBondContact N-O 3.26Å; A473-S540 PolarHBondContact O-N 3.46Å
474I96.1Very high93.3Very high4 Ų436.1 Ų36.12%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-116121.1175.7-54.3174.1000107.1L472 N494 T495 I521 C524 A536 F541L472-I474 HydrophobicContact CD2-CD1 4.15Å; L472-I474 HydrophobicContact CD2-CG1 4.14Å; I474-N494 CarbonylContact O-C 3.53Å; I474-N494 VanDerWaalsContact O-CA 3.25Å; I474-N494 WeakPolarHBondContact O-CA 3.2Å; I474-T495 PolarHBondContact N-O 3.19Å; I474-T495 PolarHBondContact O-N 3.21Å; I474-I521 HydrophobicContact CD1-CG1 4.21Å; I474-C524 HydrophobicContact CD1-CB 4.19Å; I474-A536 HydrophobicContact CG2-CB 3.87Å; I474-F541 HydrophobicContact CD1-CE1 3.79Å; I474-F541 HydrophobicContact CD1-CZ 4.08Å; I474-F541 HydrophobicContact CG1-CE1 3.95Å; I474-F541 HydrophobicContact CG1-CZ 4.04Å
475K95Very high92.8Very high103 Ų10338.6 Ų38.645%0.44819%0.185SC..EExtended strand (participates in β ladder)trans-103124174.7-172-172.8173.1-138.20108.9G477 N494 E537 Y538K475-G477 VanDerWaalsContact C-N 3.28Å; K475-G477 PolarHBondContact O-N 3.38Å; K475-N494 WeakPolarHBondContact CA-OD1 3.45Å; K475-E537 VanDerWaalsContact CE-OE2 3.23Å; K475-E537 WeakPolarHBondContact CE-OE2 3.47Å; K475-E537 IonicContact NZ-OE2 3.14Å; K475-E537 PolarHBondContact NZ-OE2 3.43Å; K475-E537 PolarHBondContact O-N 3.22Å; K475-Y538 HydrophobicContact CB-CD1 4.44Å; K475-Y538 PolarHBondContact N-O 2.79Å; K475-Y538 PolarHBondContact O-N 3.32Å
476Q93.8Very high92Very high63 Ų6337.4 Ų37.429%0.29419%0.188SC..EExtended strand (participates in β ladder)trans46.951.5179.6-62.9-66.5-8.800112W478 A492 N493 N494 E537Q476-W478 WeakPolarHBondContact O-CZ3 3.23Å; Q476-A492 HydrophobicContact CB-CB 3.98Å; Q476-A492 PolarHBondContact OE1-O 3.42Å; Q476-N493 PolarHBondContact N-O 2.96Å; Q476-N494 PolarHBondContact N-OD1 3.26Å; Q476-E537 HydrophobicContact CB-CB 4.19Å; Q476-E537 HydrophobicContact CB-CG 3.76Å; Q476-E537 HydrophobicContact CG-CG 4.33Å
477G94.5Very high90.7Very high0 Ų042.6 Ų42.60%023%0.231CC..EExtended strand (participates in β ladder)trans-82.4150.8175.100000111.8K475 A492 N493 Q520 P535K475-G477 VanDerWaalsContact C-N 3.28Å; K475-G477 PolarHBondContact O-N 3.38Å; G477-A492 CarbonylContact O-C 3.58Å; G477-A492 VanDerWaalsContact O-CA 3.23Å; G477-A492 WeakPolarHBondContact O-CA 3.4Å; G477-N493 PolarHBondContact N-O 3.06Å; G477-N493 PolarHBondContact O-N 3.46Å; G477-Q520 PolarHBondContact O-NE2 3.42Å; G477-P535 VanDerWaalsContact CA-O 3.24Å; G477-P535 WeakPolarHBondContact CA-O 3.37Å
478W93.9Very high89.9Confident16 Ų1646.4 Ų46.46%0.06125%0.249CC..  trans-131.5164.9173.961.591000112.1D462 Y463 Q476 P480 E483 P490 Q520 P535D462-W478 WeakPolarHBondContact O-CH2 3.31Å; Y463-W478 HydrophobicContact CD1-CZ2 4.32Å; Y463-W478 HydrophobicContact CE1-CZ2 4.42Å; Q476-W478 WeakPolarHBondContact O-CZ3 3.23Å; W478-P480 WeakPolarHBondContact O-CD 3.18Å; W478-E483 VanDerWaalsContact NE1-CD 3.26Å; W478-E483 PolarHBondContact NE1-OE2 3.15Å; W478-P490 HydrophobicContact CB-CB 4.19Å; W478-P490 HydrophobicContact CB-CG 4.49Å; W478-Q520 VanDerWaalsContact C-CD 3.41Å; W478-P535 HydrophobicContact CD2-CB 3.9Å; W478-P535 VanDerWaalsContact CE2-CB 3.43Å; W478-P535 HydrophobicContact CG-CB 4.13Å; W478-P535 HydrophobicContact CZ2-CB 3.81Å; W478-P535 PolarHBondContact N-O 3.42Å; W478-P535 VanDerWaalsContact N-O 3.14Å; W478-P535 VanDerWaalsContact O-CG 3.3Å; W478-P535 WeakPolarHBondContact O-CG 3.18Å
479H94.4Very high89.2Confident11 Ų1150.3 Ų50.35%0.05127%0.266CS..  trans-80118.4-175.6-169.5-58000111.8I481 L482 E483 T516 K519 Q520 L523H479-I481 PolarHBondContact ND1-N 3.1Å; H479-I481 PolarHBondContact O-N 2.98Å; H479-L482 HydrophobicContact CB-CB 3.87Å; H479-L482 PolarHBondContact ND1-N 3.47Å; H479-L482 PolarHBondContact O-N 2.98Å; H479-E483 PolarHBondContact O-N 3.23Å; H479-T516 HydrophobicContact CB-CG2 4.21Å; H479-T516 PolarHBondContact CD2-O 2.88Å; H479-K519 WeakPolarHBondContact NE2-CB 3.4Å; H479-Q520 HydrophobicContact CB-CB 4.14Å; H479-Q520 HydrophobicContact CB-CG 4.44Å; H479-L523 WeakPolarHBondContact CE1-CD1 3Å
480P93.1Very high89Confident1 Ų149.8 Ų49.81%0.00626%0.263CS..Hα-helixtrans-65-38.5-171.821.6-30.9000113.5L163 V166 W478 L523 M527 P535L163-P480 HydrophobicContact CD1-CG 4.34Å; V166-P480 HydrophobicContact CG1-CB 4.24Å; W478-P480 WeakPolarHBondContact O-CD 3.18Å; P480-L523 HydrophobicContact CG-CB 4.01Å; P480-L523 HydrophobicContact CG-CD1 4.03Å; P480-M527 HydrophobicContact CB-SD 4.16Å; P480-M527 HydrophobicContact CG-SD 3.92Å; P480-P535 HydrophobicContact CB-CG 4.1Å; P480-P535 HydrophobicContact CG-CG 4.24Å
481I92.3Very high89Confident3 Ų349.6 Ų49.62%0.01526%0.264CS..Hα-helixtrans-69.7-38.7177.6-49.8175.4000111.2E149 H161 L163 V166 H479 E483 K484 I485 L523E149-I481 HydrophobicContact CB-CD1 4.34Å; H161-I481 HydrophobicContact CB-CG2 4.26Å; L163-I481 HydrophobicContact CB-CD1 4.48Å; V166-I481 HydrophobicContact CG2-CB 4.43Å; V166-I481 HydrophobicContact CG2-CG1 4.15Å; H479-I481 PolarHBondContact ND1-N 3.1Å; H479-I481 PolarHBondContact O-N 2.98Å; I481-E483 VanDerWaalsContact C-N 3.33Å; I481-E483 PolarHBondContact O-N 2.89Å; I481-K484 PolarHBondContact O-N 2.76Å; I481-K484 VanDerWaalsContact O-N 3.14Å; I481-I485 HydrophobicContact CG2-CD1 3.91Å; I481-I485 WeakPolarHBondContact O-CG1 3.39Å; I481-I485 PolarHBondContact O-N 3Å; I481-L523 HydrophobicContact CD1-CD1 3.87Å; I481-L523 HydrophobicContact CG1-CD1 4.1Å
482L90.2Very high89.1Confident67 Ų6750.2 Ų50.235%0.35127%0.27SS..Hα-helixtrans-68.9-34.2-179-171.461.8000111.5H479 K484 I485 S486 P490 T516H479-L482 HydrophobicContact CB-CB 3.87Å; H479-L482 PolarHBondContact ND1-N 3.47Å; H479-L482 PolarHBondContact O-N 2.98Å; L482-K484 PolarHBondContact O-N 3.16Å; L482-I485 PolarHBondContact O-N 2.92Å; L482-S486 WeakPolarHBondContact O-CB 3.36Å; L482-S486 PolarHBondContact O-N 3.3Å; L482-P490 HydrophobicContact CB-CG 4.14Å; L482-P490 HydrophobicContact CD2-CB 4.02Å; L482-P490 HydrophobicContact CD2-CG 4.25Å; L482-P490 HydrophobicContact CG-CB 4.4Å; L482-P490 HydrophobicContact CG-CG 4.07Å; L482-T516 HydrophobicContact CD2-CG2 4.12Å
483E89.9Confident89Confident36 Ų3650.7 Ų50.717%0.16827%0.273CS..Hα-helixtrans-56.2-36.8171.2179.7-178.8-160.600112.2S461 Y463 W478 H479 I481 P490S461-E483 WeakPolarHBondContact CB-OE1 3.36Å; S461-E483 PolarHBondContact OG-OE1 3.06Å; Y463-E483 PolarHBondContact OH-OE2 3.33Å; W478-E483 VanDerWaalsContact NE1-CD 3.26Å; W478-E483 PolarHBondContact NE1-OE2 3.15Å; H479-E483 PolarHBondContact O-N 3.23Å; I481-E483 VanDerWaalsContact C-N 3.33Å; I481-E483 PolarHBondContact O-N 2.89Å; E483-P490 HydrophobicContact CB-CG 4.19Å
484K84.6Confident88.9Confident89 Ų8953.9 Ų53.939%0.38729%0.289SS..Hα-helixtrans-79-27.8179.1-166.9175.1-176.3-176.20113.5G165 V166 I481 L482G165-K484 PolarHBondContact O-NZ 3.2Å; V166-K484 HydrophobicContact CG2-CB 4.36Å; V166-K484 HydrophobicContact CG2-CD 4.05Å; I481-K484 PolarHBondContact O-N 2.76Å; I481-K484 VanDerWaalsContact O-N 3.14Å; L482-K484 PolarHBondContact O-N 3.16Å
485I85.8Confident88.8Confident90 Ų9054 Ų5446%0.46229%0.289SS..Hα-helixtrans-85.1-43.1-179-62.6165.3000110.8H161 I481 L482H161-I485 HydrophobicContact CB-CD1 4Å; H161-I485 HydrophobicContact CB-CG1 4Å; I481-I485 HydrophobicContact CG2-CD1 3.91Å; I481-I485 WeakPolarHBondContact O-CG1 3.39Å; I481-I485 PolarHBondContact O-N 3Å; L482-I485 PolarHBondContact O-N 2.92Å
486S79.4Confident88.7Confident50 Ų5052.4 Ų52.435%0.3528%0.281SS..  trans-80.3140.7-173.5-176.80000111.3L482 E488L482-S486 WeakPolarHBondContact O-CB 3.36Å; L482-S486 PolarHBondContact O-N 3.3Å; S486-E488 VanDerWaalsContact C-N 3.26Å; S486-E488 VanDerWaalsContact CB-O 3.27Å; S486-E488 WeakPolarHBondContact CB-O 3.27Å; S486-E488 PolarHBondContact OG-N 2.96Å; S486-E488 PolarHBondContact OG-O 2.96Å
487A70.8Confident88.7Confident113 Ų11349.4 Ų49.493%0.93427%0.267SS*.SBendtrans-72.4-23.2170.800000112.3
488E78.8Confident88.5Confident159 Ų15949.6 Ų49.674%0.74327%0.268SS*.SBendtrans-108.5146.7177.6-65.6-176.5177.500111.2S486S486-E488 VanDerWaalsContact C-N 3.26Å; S486-E488 VanDerWaalsContact CB-O 3.27Å; S486-E488 WeakPolarHBondContact CB-O 3.27Å; S486-E488 PolarHBondContact OG-N 2.96Å; S486-E488 PolarHBondContact OG-O 2.96Å
489K79.3Confident88Confident124 Ų12454.1 Ų54.154%0.53929%0.29SS..PPolyproline II helixtrans-63.6129.8-179.6-152.6169.8-172172.60109.5D462D462-K489 IonicContact OD2-NZ 2.76Å; D462-K489 PolarHBondContact OD2-NZ 3.29Å; D462-K489 VanDerWaalsContact OD2-NZ 3.16Å
490P87.4Confident87.3Confident20 Ų2053.7 Ų53.713%0.1329%0.288CS..PPolyproline II helixtrans-63.1152.3-177.7-17.628.3000112.3W478 L482 E483 A492W478-P490 HydrophobicContact CB-CB 4.19Å; W478-P490 HydrophobicContact CB-CG 4.49Å; L482-P490 HydrophobicContact CB-CG 4.14Å; L482-P490 HydrophobicContact CD2-CB 4.02Å; L482-P490 HydrophobicContact CD2-CG 4.25Å; L482-P490 HydrophobicContact CG-CB 4.4Å; L482-P490 HydrophobicContact CG-CG 4.07Å; E483-P490 HydrophobicContact CB-CG 4.19Å; P490-A492 PolarHBondContact O-N 3.11Å
491V88.9Confident87Confident68 Ų6853.8 Ų53.841%0.41229%0.289SS..PPolyproline II helixtrans-65.2122.3176.9-178.90000110.1N493 Y659V491-N493 PolarHBondContact O-ND2 3.27Å; V491-Y659 HydrophobicContact CG2-CD2 4.21Å
492A92.4Very high86.9Confident25 Ų2553.7 Ų53.721%0.20729%0.288CS..PPolyproline II helixtrans-80.8143-178.300000112.2Q476 G477 P490Q476-A492 HydrophobicContact CB-CB 3.98Å; Q476-A492 PolarHBondContact OE1-O 3.42Å; G477-A492 CarbonylContact O-C 3.58Å; G477-A492 VanDerWaalsContact O-CA 3.23Å; G477-A492 WeakPolarHBondContact O-CA 3.4Å; P490-A492 PolarHBondContact O-N 3.11Å
493N93.3Very high87Confident10 Ų1050.5 Ų50.55%0.05327%0.272CS..EExtended strand (participates in β ladder)trans-133.1151-175.4-78-67.3000112.2Q476 G477 V491 Y517 Y659 K660 L661Q476-N493 PolarHBondContact N-O 2.96Å; G477-N493 PolarHBondContact N-O 3.06Å; G477-N493 PolarHBondContact O-N 3.46Å; V491-N493 PolarHBondContact O-ND2 3.27Å; N493-Y517 HydrophobicContact CB-CD2 3.97Å; N493-Y517 HydrophobicContact CB-CE2 3.88Å; N493-Y659 PolarHBondContact ND2-O 3.1Å; N493-Y659 PolarHBondContact OD1-O 3.08Å; N493-K660 WeakPolarHBondContact OD1-CA 3.31Å; N493-L661 WeakPolarHBondContact OD1-CB 3.42Å; N493-L661 PolarHBondContact OD1-N 3.08Å
494N93.8Very high87.2Confident80 Ų8049 Ų4943%0.42827%0.265SS..EExtended strand (participates in β ladder)trans-96140.2176.3-59.4-50.7000110.5I474 K475 Q476 Y517I474-N494 CarbonylContact O-C 3.53Å; I474-N494 VanDerWaalsContact O-CA 3.25Å; I474-N494 WeakPolarHBondContact O-CA 3.2Å; K475-N494 WeakPolarHBondContact CA-OD1 3.45Å; Q476-N494 PolarHBondContact N-OD1 3.26Å; N494-Y517 PolarHBondContact O-OH 2.82Å
495T93.9Very high87.6Confident5 Ų544.8 Ų44.83%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-129134.4174.3-49.20000108.8L472 A473 I474 I497 Y517 I521L472-T495 HydrophobicContact CD2-CG2 3.41Å; L472-T495 VanDerWaalsContact CD2-CG2 3.41Å; A473-T495 CarbonylContact C-O 3.57Å; A473-T495 WeakPolarHBondContact CA-O 3.49Å; I474-T495 PolarHBondContact N-O 3.19Å; I474-T495 PolarHBondContact O-N 3.21Å; T495-I497 HydrophobicContact CG2-CD1 4.29Å; T495-I497 HydrophobicContact CG2-CG1 4.26Å; T495-Y517 WeakPolarHBondContact CB-OH 3.4Å; T495-Y517 WeakPolarHBondContact CG2-OH 3.4Å; T495-Y517 WeakPolarHBondContact OG1-CE2 3.5Å; T495-Y517 PolarHBondContact OG1-OH 3.11Å; T495-I521 HydrophobicContact CG2-CD1 3.58Å; T495-I521 HydrophobicContact CG2-CG1 4.22Å
496Y93.2Very high87.9Confident70 Ų7040.5 Ų40.528%0.27522%0.224SC..EExtended strand (participates in β ladder)trans-143.8115.5175.5-170.1-104.6000109.9L472 A473 T498 Q725L472-Y496 CarbonylContact O-C 3.59Å; L472-Y496 VanDerWaalsContact O-CA 3.31Å; L472-Y496 WeakPolarHBondContact O-CA 3.27Å; A473-Y496 HydrophobicContact CB-CD2 3.82Å; A473-Y496 HydrophobicContact CB-CE2 4.14Å; Y496-T498 HydrophobicContact CD1-CG2 3.92Å; Y496-T498 HydrophobicContact CE1-CG2 3.23Å; Y496-T498 HydrophobicContact CE2-CG2 4.19Å; Y496-Q725 PolarHBondContact OH-OE1 2.88Å
497I92.9Very high88.4Confident0 Ų038.2 Ų38.20%021%0.208CC..EExtended strand (participates in β ladder)trans-132.7135.8-179.7-53178.1000108.3L472 T495 S501 L504 F615 L617L472-I497 HydrophobicContact CB-CB 4.19Å; L472-I497 HydrophobicContact CD2-CD1 4.37Å; L472-I497 HydrophobicContact CD2-CG1 4.49Å; L472-I497 PolarHBondContact N-O 2.97Å; L472-I497 PolarHBondContact O-N 2.74Å; T495-I497 HydrophobicContact CG2-CD1 4.29Å; T495-I497 HydrophobicContact CG2-CG1 4.26Å; I497-S501 VanDerWaalsContact CG2-O 3.31Å; I497-S501 WeakPolarHBondContact CG2-O 3.4Å; I497-L504 HydrophobicContact CD1-CD1 3.81Å; I497-L504 HydrophobicContact CD1-CG 4.21Å; I497-L504 HydrophobicContact CG1-CD1 3.53Å; I497-L504 HydrophobicContact CG1-CG 3.94Å; I497-F615 HydrophobicContact CB-CD2 4.25Å; I497-F615 HydrophobicContact CB-CE2 4.36Å; I497-F615 HydrophobicContact CB-CG 4.49Å; I497-F615 HydrophobicContact CG2-CB 4.05Å; I497-F615 HydrophobicContact CG2-CD1 3.65Å; I497-F615 HydrophobicContact CG2-CD2 3.77Å; I497-F615 HydrophobicContact CG2-CE1 3.96Å; I497-F615 HydrophobicContact CG2-CE2 4.07Å; I497-F615 HydrophobicContact CG2-CG 3.55Å; I497-F615 HydrophobicContact CG2-CZ 4.16Å; I497-L617 HydrophobicContact CD1-CD1 3.32Å; I497-L617 HydrophobicContact CD1-CD2 4.16Å; I497-L617 HydrophobicContact CD1-CG 3.78Å
498T90.3Very high89Confident4 Ų433.3 Ų33.33%0.02517%0.169CC..BIsolated β-bridgetrans-141.6168.4-175.169.20000110.3T471 Y496 G500 S501 N502T471-T498 HydrophobicContact CG2-CG2 3.97Å; Y496-T498 HydrophobicContact CD1-CG2 3.92Å; Y496-T498 HydrophobicContact CE1-CG2 3.23Å; Y496-T498 HydrophobicContact CE2-CG2 4.19Å; T498-G500 PolarHBondContact O-N 2.93Å; T498-G500 PolarHBondContact OG1-N 2.87Å; T498-S501 PolarHBondContact N-O 2.83Å; T498-S501 PolarHBondContact N-OG 3.29Å; T498-S501 CarbonylContact O-C 3.59Å; T498-S501 PolarHBondContact O-N 3.01Å; T498-S501 PolarHBondContact OG1-N 3.04Å; T498-S501 VanDerWaalsContact OG1-N 3.11Å; T498-S501 PolarHBondContact OG1-OG 2.88Å; T498-N502 VanDerWaalsContact O-CA 3.23Å; T498-N502 WeakPolarHBondContact O-CA 3.34Å; T498-N502 WeakPolarHBondContact O-CB 3.38Å; T498-N502 PolarHBondContact O-N 2.96Å
499E82.9Confident89Confident112 Ų11226.2 Ų26.252%0.52314%0.136SC..THydrogen-bonded Turntrans-57.2-30.2170.4-64.3-172.6157.100112.7S501E499-S501 VanDerWaalsContact C-N 3.33Å
500G80.4Confident88.9Confident1 Ų124.3 Ų24.31%0.0113%0.132CC..THydrogen-bonded Turntrans-81.8-7.8175.400000114.8T498 N634 Y717T498-G500 PolarHBondContact O-N 2.93Å; T498-G500 PolarHBondContact OG1-N 2.87Å; G500-N634 WeakPolarHBondContact O-CA 3.49Å; G500-Y717 WeakPolarHBondContact O-CE1 3.25Å
501S86.9Confident88.4Confident3 Ų330.5 Ų30.52%0.02116%0.161CC..BIsolated β-bridgetrans-151.361-178.9640000108.2I497 T498 E499 N634I497-S501 VanDerWaalsContact CG2-O 3.31Å; I497-S501 WeakPolarHBondContact CG2-O 3.4Å; T498-S501 PolarHBondContact N-O 2.83Å; T498-S501 PolarHBondContact N-OG 3.29Å; T498-S501 CarbonylContact O-C 3.59Å; T498-S501 PolarHBondContact O-N 3.01Å; T498-S501 PolarHBondContact OG1-N 3.04Å; T498-S501 VanDerWaalsContact OG1-N 3.11Å; T498-S501 PolarHBondContact OG1-OG 2.88Å; E499-S501 VanDerWaalsContact C-N 3.33Å; S501-N634 CarbonylContact C-O 3.54Å; S501-N634 VanDerWaalsContact CA-O 3.28Å; S501-N634 WeakPolarHBondContact CA-O 3.21Å
502N89.9Confident88Confident1 Ų127.3 Ų27.31%0.00514%0.142CC..  trans-85.6-12.9-168.172.1-55.8000112.7T498 K613 A614 F615 T616 N634T498-N502 VanDerWaalsContact O-CA 3.23Å; T498-N502 WeakPolarHBondContact O-CA 3.34Å; T498-N502 WeakPolarHBondContact O-CB 3.38Å; T498-N502 PolarHBondContact O-N 2.96Å; N502-K613 WeakPolarHBondContact ND2-CA 3.34Å; N502-A614 PolarHBondContact ND2-O 2.99Å; N502-F615 HydrophobicContact CB-CD1 4.09Å; N502-F615 HydrophobicContact CB-CE1 4.4Å; N502-F615 CarbonylContact O-C 3.43Å; N502-F615 WeakPolarHBondContact O-CA 3.38Å; N502-T616 PolarHBondContact O-N 3.21Å; N502-N634 PolarHBondContact N-O 3.02Å; N502-N634 VanDerWaalsContact OD1-CB 3.25Å; N502-N634 WeakPolarHBondContact OD1-CB 3.21Å
503V92.9Very high87.6Confident0 Ų026.8 Ų26.80%014%0.139CC..EExtended strand (participates in β ladder)trans-121.6120.9176.6-177.50000110.5L610 T616 N634 V635 E636V503-L610 HydrophobicContact CB-CD2 3.89Å; V503-L610 HydrophobicContact CB-CG 4.49Å; V503-L610 HydrophobicContact CG2-CD2 3.34Å; V503-L610 HydrophobicContact CG2-CG 3.79Å; V503-T616 CarbonylContact C-O 3.45Å; V503-T616 VanDerWaalsContact CA-O 3.31Å; V503-T616 WeakPolarHBondContact CA-O 3.23Å; V503-N634 PolarHBondContact N-O 3.1Å; V503-V635 HydrophobicContact CB-CG2 4.31Å; V503-V635 WeakPolarHBondContact O-CA 3.35Å; V503-E636 PolarHBondContact O-N 2.98Å
504L93.8Very high87.4Confident4 Ų426.6 Ų26.62%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-105.2120.4173.4-61.3-174.6000110.1I497 T616 L617 F618 E636I497-L504 HydrophobicContact CD1-CD1 3.81Å; I497-L504 HydrophobicContact CD1-CG 4.21Å; I497-L504 HydrophobicContact CG1-CD1 3.53Å; I497-L504 HydrophobicContact CG1-CG 3.94Å; L504-T616 PolarHBondContact N-O 3.37Å; L504-L617 HydrophobicContact CB-CG 4.39Å; L504-L617 HydrophobicContact CD1-CD2 4.35Å; L504-L617 HydrophobicContact CD1-CG 4.4Å; L504-F618 PolarHBondContact O-N 3.48Å; L504-E636 WeakPolarHBondContact CA-O 3.36Å; L504-E636 HydrophobicContact CD2-CB 3.76Å; L504-E636 HydrophobicContact CD2-CG 4.47Å
505I92.9Very high87.2Confident1 Ų124.7 Ų24.71%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-94.3121.4171.2-60.9175.5000107.9F618 T620 L625 L628 V635 E636 N637 M638I505-F618 CarbonylContact C-O 3.25Å; I505-F618 WeakPolarHBondContact CA-O 3.5Å; I505-T620 HydrophobicContact CG2-CG2 3.95Å; I505-L625 HydrophobicContact CD1-CG 4.25Å; I505-L625 WeakPolarHBondContact CD1-O 3.47Å; I505-L628 HydrophobicContact CD1-CB 3.94Å; I505-L628 HydrophobicContact CD1-CD1 3.94Å; I505-V635 HydrophobicContact CD1-CG1 3.5Å; I505-V635 VanDerWaalsContact CD1-CG1 3.5Å; I505-V635 HydrophobicContact CG1-CG1 3.91Å; I505-E636 PolarHBondContact N-O 2.52Å; I505-N637 WeakPolarHBondContact CB-OD1 3.5Å; I505-M638 PolarHBondContact O-N 3.1Å
506I92.4Very high87.1Confident0 Ų027.2 Ų27.20%015%0.147CC..EExtended strand (participates in β ladder)trans-114.8119.6-173.7-56.7171000109.2K514 Y517 L518 L617 F618 T619 T620 M638 F640 L661I506-K514 HydrophobicContact CG2-CG 4.36Å; I506-Y517 HydrophobicContact CD1-CD1 3.78Å; I506-Y517 HydrophobicContact CD1-CE1 3.55Å; I506-L518 HydrophobicContact CD1-CD2 4.07Å; I506-L617 HydrophobicContact CD1-CB 4.31Å; I506-L617 HydrophobicContact CD1-CD2 4.18Å; I506-F618 PolarHBondContact N-O 2.94Å; I506-T619 HydrophobicContact CB-CG2 3.83Å; I506-T619 HydrophobicContact CD1-CG2 4.22Å; I506-T619 HydrophobicContact CG2-CG2 4.08Å; I506-T619 CarbonylContact O-C 3.48Å; I506-T619 WeakPolarHBondContact O-CA 3.34Å; I506-T620 PolarHBondContact O-N 2.96Å; I506-M638 WeakPolarHBondContact CA-O 3.12Å; I506-M638 HydrophobicContact CG1-CB 4.36Å; I506-F640 HydrophobicContact CG2-CD2 4.13Å; I506-F640 HydrophobicContact CG2-CE2 3.83Å; I506-L661 HydrophobicContact CG2-CD1 4.09Å
507T89.3Confident87.1Confident2 Ų224.1 Ų24.11%0.01213%0.134CC..EExtended strand (participates in β ladder)trans-115161.817754.90000111.4T620 L623 C626 M638 H639 F640 T666T507-T620 HydrophobicContact CG2-CG2 3.97Å; T507-L623 HydrophobicContact CG2-CD2 4.36Å; T507-C626 WeakPolarHBondContact CG2-SG 3.46Å; T507-M638 PolarHBondContact N-O 3.03Å; T507-M638 PolarHBondContact OG1-O 3.19Å; T507-H639 WeakPolarHBondContact O-CA 3.42Å; T507-F640 PolarHBondContact O-N 3.36Å; T507-F640 VanDerWaalsContact O-N 3.1Å; T507-T666 PolarHBondContact OG1-OG1 3.3Å
508G83.3Confident87.1Confident10 Ų1024.1 Ų24.110%0.10313%0.134CC..  trans154.7160.3178.400000111.7K514G508-K514 WeakPolarHBondContact O-CE 3.44Å; G508-K514 PolarHBondContact O-NZ 3.07Å
509P78.4Confident87.3Confident10 Ų1025.5 Ų25.57%0.06514%0.14CC..  trans-63162.4-176.621.5-27.6000113.3M511 S512 K514 V642 Y657 Y671P509-M511 PolarHBondContact O-N 2.94Å; P509-S512 WeakPolarHBondContact O-CB 3.47Å; P509-S512 PolarHBondContact O-N 2.91Å; P509-S512 PolarHBondContact O-OG 3.49Å; P509-K514 PolarHBondContact O-NZ 3.37Å; P509-V642 HydrophobicContact CG-CG2 3.57Å; P509-Y657 HydrophobicContact CB-CE1 4.42Å; P509-Y657 HydrophobicContact CG-CD1 4.39Å; P509-Y657 HydrophobicContact CG-CE1 4.16Å; P509-Y671 HydrophobicContact CB-CD1 3.37Å; P509-Y671 HydrophobicContact CB-CD2 3.59Å; P509-Y671 HydrophobicContact CB-CE1 3.24Å; P509-Y671 HydrophobicContact CB-CE2 3.44Å; P509-Y671 VanDerWaalsContact CB-CE2 3.44Å; P509-Y671 HydrophobicContact CB-CG 3.55Å; P509-Y671 HydrophobicContact CG-CD2 4.01Å; P509-Y671 HydrophobicContact CG-CE1 4.41Å; P509-Y671 HydrophobicContact CG-CE2 3.78Å; P509-Y671 HydrophobicContact CG-CG 4.41Å
510N76.9Confident87.9Confident84 Ų8420.4 Ų20.445%0.44912%0.116SC..THydrogen-bonded Turntrans-54.7142.9166.4-77.8-22.4000109.7S512 H621N510-S512 PolarHBondContact O-N 3.15Å; N510-H621 PolarHBondContact OD1-CE1 3.31Å; N510-H621 PolarHBondContact OD1-NE2 2.99Å
511M78Confident88.6Confident150 Ų15020.3 Ų20.374%0.73912%0.116SC*.THydrogen-bonded Turntrans67.88.1-177.9-45170.891.600115.3P509 G513 Y659P509-M511 PolarHBondContact O-N 2.94Å; M511-G513 PolarHBondContact O-N 3.04Å; M511-Y659 WeakPolarHBondContact O-CE1 3.22Å
512S80.5Confident89Confident1 Ų120.2 Ų20.21%0.00712%0.115CC..SBendtrans-74.6-3.8177.1790000114.9P509 N510 F640P509-S512 WeakPolarHBondContact O-CB 3.47Å; P509-S512 PolarHBondContact O-N 2.91Å; P509-S512 PolarHBondContact O-OG 3.49Å; N510-S512 PolarHBondContact O-N 3.15Å; S512-F640 WeakPolarHBondContact O-CD1 3.49Å
513G84.1Confident89.3Confident15 Ų1520.1 Ų20.116%0.15511%0.114CC..SBendtrans94.712.7-178.400000116M511 T516 Y517M511-G513 PolarHBondContact O-N 3.04Å; G513-T516 WeakPolarHBondContact O-CB 3.34Å; G513-T516 PolarHBondContact O-N 3.29Å; G513-Y517 WeakPolarHBondContact O-CB 3.4Å; G513-Y517 PolarHBondContact O-N 3.3Å
514K89.5Confident89.5Confident6 Ų620.2 Ų20.23%0.02612%0.115CC..Hα-helixtrans-53.2-56.1179-65.9-171.8-56.1-69.90113.2I506 G508 P509 T516 Y517 L518 E588 T619 H621 F640I506-K514 HydrophobicContact CG2-CG 4.36Å; G508-K514 WeakPolarHBondContact O-CE 3.44Å; G508-K514 PolarHBondContact O-NZ 3.07Å; P509-K514 PolarHBondContact O-NZ 3.37Å; K514-T516 VanDerWaalsContact C-N 3.32Å; K514-T516 PolarHBondContact O-N 2.95Å; K514-Y517 WeakPolarHBondContact O-CB 3.25Å; K514-Y517 PolarHBondContact O-N 3.07Å; K514-L518 PolarHBondContact O-N 2.89Å; K514-L518 VanDerWaalsContact O-N 3.09Å; K514-E588 WeakPolarHBondContact CE-OE1 3.23Å; K514-E588 IonicContact NZ-OE1 3.91Å; K514-T619 HydrophobicContact CB-CG2 3.89Å; K514-T619 HydrophobicContact CD-CG2 4.49Å; K514-H621 PolarHBondContact NZ-CE1 3.34Å; K514-F640 HydrophobicContact CB-CE2 4.28Å; K514-F640 HydrophobicContact CG-CD2 3.72Å; K514-F640 HydrophobicContact CG-CE2 3.78Å
515S89.4Confident89.6Confident40 Ų4020.1 Ų20.128%0.2811%0.114SC..Hα-helixtrans-63.2-39.9-179.8-39.30000111.5Y517 L518 K519 D587S515-Y517 VanDerWaalsContact C-N 3.32Å; S515-Y517 PolarHBondContact O-N 3.01Å; S515-L518 PolarHBondContact O-N 3.1Å; S515-K519 WeakPolarHBondContact O-CG 3.21Å; S515-K519 PolarHBondContact O-N 2.68Å; S515-D587 WeakPolarHBondContact CB-OD2 3.37Å; S515-D587 PolarHBondContact OG-OD2 2.84Å
516T91.1Very high89.7Confident58 Ų5820 Ų2036%0.35611%0.114SC..Hα-helixtrans-59.7-42.3175.2-49.40000111.4H479 L482 G513 K514 K519 Q520H479-T516 HydrophobicContact CB-CG2 4.21Å; H479-T516 PolarHBondContact CD2-O 2.88Å; L482-T516 HydrophobicContact CD2-CG2 4.12Å; G513-T516 WeakPolarHBondContact O-CB 3.34Å; G513-T516 PolarHBondContact O-N 3.29Å; K514-T516 VanDerWaalsContact C-N 3.32Å; K514-T516 PolarHBondContact O-N 2.95Å; T516-K519 PolarHBondContact O-N 3.4Å; T516-Q520 WeakPolarHBondContact O-CB 3.45Å; T516-Q520 PolarHBondContact O-N 2.82Å
517Y93.1Very high90Very high5 Ų520 Ų202%0.0211%0.114CC..Hα-helixtrans-66.4-40.9177.7174.5-100.2000112.9N493 N494 T495 I506 G513 K514 S515 Q520 I521 L617 F640 L661N493-Y517 HydrophobicContact CB-CD2 3.97Å; N493-Y517 HydrophobicContact CB-CE2 3.88Å; N494-Y517 PolarHBondContact O-OH 2.82Å; T495-Y517 WeakPolarHBondContact CB-OH 3.4Å; T495-Y517 WeakPolarHBondContact CG2-OH 3.4Å; T495-Y517 WeakPolarHBondContact OG1-CE2 3.5Å; T495-Y517 PolarHBondContact OG1-OH 3.11Å; I506-Y517 HydrophobicContact CD1-CD1 3.78Å; I506-Y517 HydrophobicContact CD1-CE1 3.55Å; G513-Y517 WeakPolarHBondContact O-CB 3.4Å; G513-Y517 PolarHBondContact O-N 3.3Å; K514-Y517 WeakPolarHBondContact O-CB 3.25Å; K514-Y517 PolarHBondContact O-N 3.07Å; S515-Y517 VanDerWaalsContact C-N 3.32Å; S515-Y517 PolarHBondContact O-N 3.01Å; Y517-Q520 WeakPolarHBondContact O-CB 3.31Å; Y517-Q520 PolarHBondContact O-N 3.26Å; Y517-I521 HydrophobicContact CD1-CD1 4.04Å; Y517-I521 HydrophobicContact CD2-CD1 4.49Å; Y517-I521 HydrophobicContact CE1-CD1 3.5Å; Y517-I521 VanDerWaalsContact CE1-CD1 3.5Å; Y517-I521 HydrophobicContact CE2-CD1 4Å; Y517-I521 VanDerWaalsContact CZ-CD1 3.49Å; Y517-I521 WeakPolarHBondContact O-CG1 3.44Å; Y517-I521 PolarHBondContact O-N 3.23Å; Y517-L617 HydrophobicContact CE1-CD2 4.08Å; Y517-F640 HydrophobicContact CG-CZ 4.05Å; Y517-L661 HydrophobicContact CE1-CD2 3.85Å; Y517-L661 HydrophobicContact CE2-CD2 3.89Å; Y517-L661 VanDerWaalsContact CZ-CD2 3.43Å; Y517-L661 WeakPolarHBondContact OH-CD2 3.32Å
518L94Very high90.3Very high0 Ų020 Ų200%011%0.113CC..Hα-helixtrans-60.9-48.3173.3-66.1-174.5000111.6I506 K514 S515 Q520 I521 A522 L585 D587 L617 T619I506-L518 HydrophobicContact CD1-CD2 4.07Å; K514-L518 PolarHBondContact O-N 2.89Å; K514-L518 VanDerWaalsContact O-N 3.09Å; S515-L518 PolarHBondContact O-N 3.1Å; L518-Q520 VanDerWaalsContact C-N 3.32Å; L518-Q520 PolarHBondContact O-N 3.19Å; L518-I521 PolarHBondContact O-N 2.79Å; L518-A522 PolarHBondContact O-N 2.58Å; L518-L585 HydrophobicContact CB-CD2 4.36Å; L518-L585 HydrophobicContact CD2-CD2 3.96Å; L518-L585 WeakPolarHBondContact O-CD1 3.3Å; L518-D587 HydrophobicContact CD1-CB 3.98Å; L518-L617 HydrophobicContact CD2-CB 3.47Å; L518-L617 VanDerWaalsContact CD2-CB 3.47Å; L518-L617 HydrophobicContact CD2-CD2 4Å; L518-L617 HydrophobicContact CD2-CG 4.39Å; L518-T619 HydrophobicContact CD1-CG2 3.55Å; L518-T619 HydrophobicContact CD2-CG2 3.96Å; L518-T619 HydrophobicContact CG-CG2 3.72Å
519K93.3Very high90.9Very high32 Ų3219.5 Ų19.514%0.13911%0.108CC..Hα-helixtrans-58.7-45177.4-69.4-171.3-172.8-158.50111.3N147 L148 H479 S515 T516 I521 A522 L523 I551N147-K519 WeakPolarHBondContact O-CE 3.48Å; N147-K519 PolarHBondContact O-NZ 2.9Å; L148-K519 HydrophobicContact CD2-CB 4.32Å; L148-K519 HydrophobicContact CD2-CG 4.22Å; H479-K519 WeakPolarHBondContact NE2-CB 3.4Å; S515-K519 WeakPolarHBondContact O-CG 3.21Å; S515-K519 PolarHBondContact O-N 2.68Å; T516-K519 PolarHBondContact O-N 3.4Å; K519-I521 VanDerWaalsContact C-N 3.3Å; K519-I521 PolarHBondContact O-N 3.25Å; K519-A522 PolarHBondContact O-N 3.46Å; K519-L523 WeakPolarHBondContact O-CB 3.43Å; K519-L523 WeakPolarHBondContact O-CG 3.46Å; K519-L523 PolarHBondContact O-N 3.33Å; K519-I551 HydrophobicContact CD-CD1 4.37Å; K519-I551 HydrophobicContact CG-CD1 3.48Å; K519-I551 VanDerWaalsContact CG-CD1 3.48Å
520Q94.8Very high91.7Very high5 Ų519 Ų192%0.02311%0.105CC..Hα-helixtrans-53.3-47.1177.9173.2-175.4-39.800112G477 W478 H479 T516 Y517 L518 L523 C524G477-Q520 PolarHBondContact O-NE2 3.42Å; W478-Q520 VanDerWaalsContact C-CD 3.41Å; H479-Q520 HydrophobicContact CB-CB 4.14Å; H479-Q520 HydrophobicContact CB-CG 4.44Å; T516-Q520 WeakPolarHBondContact O-CB 3.45Å; T516-Q520 PolarHBondContact O-N 2.82Å; Y517-Q520 WeakPolarHBondContact O-CB 3.31Å; Y517-Q520 PolarHBondContact O-N 3.26Å; L518-Q520 VanDerWaalsContact C-N 3.32Å; L518-Q520 PolarHBondContact O-N 3.19Å; Q520-L523 PolarHBondContact O-N 3.22Å; Q520-C524 WeakPolarHBondContact O-CB 3.44Å; Q520-C524 PolarHBondContact O-N 3.31Å; Q520-C524 PolarHBondContact O-SG 2.89Å
521I95.7Very high92.5Very high0 Ų015 Ų150%08%0.084CC..Hα-helixtrans-65-45.5-178-67.4166.4000111L472 I474 T495 Y517 L518 K519 L523 C524 Q525 L617L472-I521 HydrophobicContact CD1-CG2 3.88Å; L472-I521 HydrophobicContact CD2-CG2 4.24Å; I474-I521 HydrophobicContact CD1-CG1 4.21Å; T495-I521 HydrophobicContact CG2-CD1 3.58Å; T495-I521 HydrophobicContact CG2-CG1 4.22Å; Y517-I521 HydrophobicContact CD1-CD1 4.04Å; Y517-I521 HydrophobicContact CD2-CD1 4.49Å; Y517-I521 HydrophobicContact CE1-CD1 3.5Å; Y517-I521 VanDerWaalsContact CE1-CD1 3.5Å; Y517-I521 HydrophobicContact CE2-CD1 4Å; Y517-I521 VanDerWaalsContact CZ-CD1 3.49Å; Y517-I521 WeakPolarHBondContact O-CG1 3.44Å; Y517-I521 PolarHBondContact O-N 3.23Å; L518-I521 PolarHBondContact O-N 2.79Å; K519-I521 VanDerWaalsContact C-N 3.3Å; K519-I521 PolarHBondContact O-N 3.25Å; I521-L523 PolarHBondContact O-N 3.13Å; I521-C524 PolarHBondContact O-N 3.43Å; I521-Q525 WeakPolarHBondContact O-CB 3.31Å; I521-Q525 PolarHBondContact O-N 3.31Å; I521-L617 HydrophobicContact CD1-CD2 3.24Å
522A95.3Very high93.4Very high0 Ų07.9 Ų7.90%05%0.049CC..Hα-helixtrans-60.9-44.217600000112.2L148 L518 K519 C524 Q525 I526 L585L148-A522 HydrophobicContact CD1-CB 3.78Å; L148-A522 HydrophobicContact CD2-CB 3.45Å; L148-A522 VanDerWaalsContact CD2-CB 3.45Å; L148-A522 HydrophobicContact CG-CB 4.27Å; L518-A522 PolarHBondContact O-N 2.58Å; K519-A522 PolarHBondContact O-N 3.46Å; A522-C524 PolarHBondContact O-N 3.39Å; A522-Q525 WeakPolarHBondContact O-CB 3.17Å; A522-Q525 PolarHBondContact O-N 3.36Å; A522-I526 VanDerWaalsContact O-CG1 3.29Å; A522-I526 WeakPolarHBondContact O-CG1 3.43Å; A522-I526 PolarHBondContact O-N 2.98Å; A522-L585 HydrophobicContact CB-CD1 3.26Å
523L96.2Very high94.2Very high0 Ų08.7 Ų8.70%05%0.052CC..Hα-helixtrans-63.5-42.8178.8-66.8174.6000111.4L148 L150 L163 H479 P480 I481 K519 Q520 I521 I526 M527L148-L523 HydrophobicContact CB-CD2 4.35Å; L150-L523 HydrophobicContact CD2-CD2 3.7Å; L163-L523 HydrophobicContact CB-CD2 4Å; L163-L523 HydrophobicContact CD1-CD2 4.24Å; L163-L523 HydrophobicContact CD2-CD2 3.83Å; L163-L523 HydrophobicContact CG-CD2 4.22Å; H479-L523 WeakPolarHBondContact CE1-CD1 3Å; P480-L523 HydrophobicContact CG-CB 4.01Å; P480-L523 HydrophobicContact CG-CD1 4.03Å; I481-L523 HydrophobicContact CD1-CD1 3.87Å; I481-L523 HydrophobicContact CG1-CD1 4.1Å; K519-L523 WeakPolarHBondContact O-CB 3.43Å; K519-L523 WeakPolarHBondContact O-CG 3.46Å; K519-L523 PolarHBondContact O-N 3.33Å; Q520-L523 PolarHBondContact O-N 3.22Å; I521-L523 PolarHBondContact O-N 3.13Å; L523-I526 PolarHBondContact O-N 2.96Å; L523-M527 WeakPolarHBondContact O-CB 3.43Å; L523-M527 WeakPolarHBondContact O-CG 3.47Å; L523-M527 PolarHBondContact O-N 2.83Å
524C96.6Very high94.9Very high1 Ų18 Ų81%0.0074%0.044CC..Hα-helixtrans-63.9-40.9175.9-64.70000112I474 Q520 I521 A522 M527 A528 V534 F541I474-C524 HydrophobicContact CD1-CB 4.19Å; Q520-C524 WeakPolarHBondContact O-CB 3.44Å; Q520-C524 PolarHBondContact O-N 3.31Å; Q520-C524 PolarHBondContact O-SG 2.89Å; I521-C524 PolarHBondContact O-N 3.43Å; A522-C524 PolarHBondContact O-N 3.39Å; C524-M527 PolarHBondContact O-N 3.39Å; C524-A528 WeakPolarHBondContact O-CB 3.42Å; C524-A528 PolarHBondContact O-N 2.94Å; C524-V534 WeakPolarHBondContact O-CG1 3.49Å; C524-F541 HydrophobicContact CB-CE1 4.02Å; C524-F541 HydrophobicContact CB-CZ 3.71Å
525Q96.6Very high95.2Very high2 Ų27.7 Ų7.71%0.0094%0.043CC..Hα-helixtrans-59.6-46.4174.8-178.77537.500111.4I521 A522 A528 Q529 F541 R542 A544 I547 L583I521-Q525 WeakPolarHBondContact O-CB 3.31Å; I521-Q525 PolarHBondContact O-N 3.31Å; A522-Q525 WeakPolarHBondContact O-CB 3.17Å; A522-Q525 PolarHBondContact O-N 3.36Å; Q525-A528 PolarHBondContact O-N 3.42Å; Q525-Q529 PolarHBondContact O-N 3.14Å; Q525-F541 HydrophobicContact CB-CD1 4.4Å; Q525-R542 PolarHBondContact NE2-O 2.93Å; Q525-A544 HydrophobicContact CG-CB 4.25Å; Q525-I547 HydrophobicContact CG-CD1 3.98Å; Q525-L583 HydrophobicContact CB-CD2 4.01Å; Q525-L583 HydrophobicContact CG-CD2 3.87Å
526I96Very high95.5Very high0 Ų06 Ų60%03%0.032CC..Hα-helixtrans-63.4-48.7178-69.3166.6000110.2I140 L148 L150 L163 P186 A522 L523 A528 Q529 I530 I547I140-I526 HydrophobicContact CD1-CD1 3.77Å; I140-I526 HydrophobicContact CD1-CG1 4.03Å; L148-I526 HydrophobicContact CD1-CD1 3.89Å; L150-I526 HydrophobicContact CD1-CD1 4.09Å; L150-I526 HydrophobicContact CD2-CD1 3.69Å; L163-I526 HydrophobicContact CD2-CB 4.44Å; L163-I526 HydrophobicContact CD2-CG2 3.84Å; P186-I526 HydrophobicContact CG-CG1 4.37Å; P186-I526 HydrophobicContact CG-CG2 4.06Å; A522-I526 VanDerWaalsContact O-CG1 3.29Å; A522-I526 WeakPolarHBondContact O-CG1 3.43Å; A522-I526 PolarHBondContact O-N 2.98Å; L523-I526 PolarHBondContact O-N 2.96Å; I526-A528 VanDerWaalsContact C-N 3.28Å; I526-A528 PolarHBondContact O-N 3.28Å; I526-Q529 PolarHBondContact O-N 2.99Å; I526-Q529 VanDerWaalsContact O-N 3.17Å; I526-I530 HydrophobicContact CG2-CG2 4.41Å; I526-I530 WeakPolarHBondContact O-CG1 3.45Å; I526-I530 WeakPolarHBondContact O-CG2 3.45Å; I526-I530 PolarHBondContact O-N 3.11Å; I526-I547 HydrophobicContact CD1-CD1 4.43Å; I526-I547 HydrophobicContact CG1-CD1 3.72Å
527M97.1Very high95.6Very high0 Ų08.5 Ų8.50%04%0.039CC..Hα-helixtrans-56.2-41.9177-73.4174.682.400112.1L163 L167 Y463 P480 L523 C524 I530 S532 Y533 V534 P535L163-M527 HydrophobicContact CD1-CG 3.9Å; L163-M527 HydrophobicContact CD1-SD 3.96Å; L167-M527 HydrophobicContact CD1-CG 4.26Å; L167-M527 HydrophobicContact CD2-CE 3.83Å; Y463-M527 HydrophobicContact CD2-CE 4.11Å; Y463-M527 HydrophobicContact CE2-CE 3.69Å; P480-M527 HydrophobicContact CB-SD 4.16Å; P480-M527 HydrophobicContact CG-SD 3.92Å; L523-M527 WeakPolarHBondContact O-CB 3.43Å; L523-M527 WeakPolarHBondContact O-CG 3.47Å; L523-M527 PolarHBondContact O-N 2.83Å; C524-M527 PolarHBondContact O-N 3.39Å; M527-I530 WeakPolarHBondContact O-CG1 3.41Å; M527-S532 WeakPolarHBondContact O-CA 3.44Å; M527-S532 WeakPolarHBondContact O-CB 3.35Å; M527-S532 PolarHBondContact O-N 3.47Å; M527-Y533 WeakPolarHBondContact CE-O 3.36Å; M527-V534 HydrophobicContact CB-CG1 3.87Å; M527-P535 HydrophobicContact SD-CG 4.48Å
528A96.8Very high95.8Very high0 Ų012.9 Ų12.90%06%0.056CC..Hα-helixtrans-63.4-50.9175.100000111.4I193 P466 F468 C524 Q525 I526 I530 G531 V534 F541I193-A528 WeakPolarHBondContact CG2-O 3.28Å; P466-A528 HydrophobicContact CB-CB 3.92Å; P466-A528 HydrophobicContact CG-CB 3.87Å; F468-A528 HydrophobicContact CE1-CB 4.26Å; F468-A528 HydrophobicContact CZ-CB 3.98Å; F468-A528 WeakPolarHBondContact CZ-O 3.34Å; C524-A528 WeakPolarHBondContact O-CB 3.42Å; C524-A528 PolarHBondContact O-N 2.94Å; Q525-A528 PolarHBondContact O-N 3.42Å; I526-A528 VanDerWaalsContact C-N 3.28Å; I526-A528 PolarHBondContact O-N 3.28Å; A528-I530 VanDerWaalsContact C-N 3.29Å; A528-I530 PolarHBondContact O-N 3.08Å; A528-G531 PolarHBondContact O-N 3.02Å; A528-V534 HydrophobicContact CB-CG1 4.02Å; A528-F541 HydrophobicContact CB-CD2 3.45Å; A528-F541 VanDerWaalsContact CB-CD2 3.45Å; A528-F541 HydrophobicContact CB-CE2 3.68Å; A528-F541 HydrophobicContact CB-CG 4.1Å; A528-F541 HydrophobicContact CB-CZ 4.49Å
529Q95.6Very high95.9Very high0 Ų012.9 Ų12.90%06%0.057CC..Hα-helixtrans-70.1-16.6-176.8-78.3-174.8-114.800114.9P186 L187 I193 F468 Q525 I526 G531 I543 A544P186-Q529 HydrophobicContact CB-CB 3.61Å; L187-Q529 WeakPolarHBondContact CB-O 3.27Å; L187-Q529 PolarHBondContact N-O 3.23Å; L187-Q529 WeakPolarHBondContact O-CB 3.32Å; L187-Q529 PolarHBondContact O-NE2 2.95Å; I193-Q529 HydrophobicContact CD1-CB 4.48Å; I193-Q529 HydrophobicContact CD1-CG 4.39Å; F468-Q529 HydrophobicContact CE1-CG 4.27Å; Q525-Q529 PolarHBondContact O-N 3.14Å; I526-Q529 PolarHBondContact O-N 2.99Å; I526-Q529 VanDerWaalsContact O-N 3.17Å; Q529-G531 VanDerWaalsContact C-N 3.31Å; Q529-I543 HydrophobicContact CG-CD1 4.21Å; Q529-A544 PolarHBondContact NE2-O 2.86Å; Q529-A544 VanDerWaalsContact OE1-N 3.11Å; Q529-A544 PolarHBondContact OE1-O 3.27Å
530I94.8Very high96Very high0 Ų011.4 Ų11.40%05%0.05CC..THydrogen-bonded Turntrans-83.4-8.316965.5179.6000113L167 N182 I183 P186 R196 F454 I526 M527 A528L167-I530 HydrophobicContact CD1-CD1 3.65Å; N182-I530 HydrophobicContact CB-CB 4.46Å; N182-I530 HydrophobicContact CB-CG2 4.22Å; N182-I530 WeakPolarHBondContact O-CG2 3.31Å; I183-I530 HydrophobicContact CG1-CD1 4.2Å; P186-I530 HydrophobicContact CB-CG2 4.08Å; P186-I530 HydrophobicContact CG-CG2 4.37Å; R196-I530 WeakPolarHBondContact CD-O 3.25Å; R196-I530 PolarHBondContact NH1-O 2.94Å; F454-I530 HydrophobicContact CE1-CD1 3.92Å; F454-I530 HydrophobicContact CE2-CG1 4.43Å; F454-I530 HydrophobicContact CZ-CB 4.39Å; F454-I530 HydrophobicContact CZ-CD1 3.68Å; F454-I530 HydrophobicContact CZ-CG1 3.91Å; I526-I530 HydrophobicContact CG2-CG2 4.41Å; I526-I530 WeakPolarHBondContact O-CG1 3.45Å; I526-I530 WeakPolarHBondContact O-CG2 3.45Å; I526-I530 PolarHBondContact O-N 3.11Å; M527-I530 WeakPolarHBondContact O-CG1 3.41Å; A528-I530 VanDerWaalsContact C-N 3.29Å; A528-I530 PolarHBondContact O-N 3.08Å
531G95Very high96.1Very high0 Ų011.1 Ų11.10%05%0.049CC..THydrogen-bonded Turntrans84.126.4-176.400000114.1A528 Q529A528-G531 PolarHBondContact O-N 3.02Å; Q529-G531 VanDerWaalsContact C-N 3.31Å
532S96.9Very high96Very high0 Ų012.8 Ų12.80%06%0.055CC..  trans-95.5158.8169.9179.90000110.4M527M527-S532 WeakPolarHBondContact O-CA 3.44Å; M527-S532 WeakPolarHBondContact O-CB 3.35Å; M527-S532 PolarHBondContact O-N 3.47Å
533Y97.3Very high95.9Very high19 Ų1914.2 Ų14.28%0.0756%0.063CC..  trans-73.8161.5166.3-72.126.6000109.3L197 V200 Q201 L204 C458 V464 R465 M527L197-Y533 HydrophobicContact CD2-CD1 3.82Å; L197-Y533 HydrophobicContact CD2-CE1 3.99Å; V200-Y533 HydrophobicContact CB-CD1 4.47Å; V200-Y533 HydrophobicContact CB-CE1 4.06Å; V200-Y533 HydrophobicContact CG1-CD1 3.86Å; V200-Y533 HydrophobicContact CG1-CE1 3.7Å; Q201-Y533 WeakPolarHBondContact CA-OH 3.24Å; Q201-Y533 VanDerWaalsContact CB-OH 3.24Å; Q201-Y533 WeakPolarHBondContact CB-OH 3.41Å; L204-Y533 HydrophobicContact CD1-CD2 4.28Å; L204-Y533 HydrophobicContact CD1-CE2 3.82Å; C458-Y533 VanDerWaalsContact SG-CB 3.59Å; V464-Y533 WeakPolarHBondContact O-CA 3.47Å; V464-Y533 VanDerWaalsContact O-CB 3.31Å; V464-Y533 WeakPolarHBondContact O-CB 3.43Å; R465-Y533 HydrophobicContact CB-CD1 4.36Å; R465-Y533 HydrophobicContact CB-CD2 4.25Å; R465-Y533 HydrophobicContact CB-CE1 3.94Å; R465-Y533 HydrophobicContact CB-CE2 3.79Å; R465-Y533 HydrophobicContact CG-CE1 4.02Å; M527-Y533 WeakPolarHBondContact CE-O 3.36Å
534V97.2Very high95.7Very high0 Ų014.4 Ų14.40%06%0.064CC..BIsolated β-bridgetrans-121.8150.6-171.9-59.80000112.2Y463 V464 P466 C524 M527 A528 A536 A539 F541Y463-V534 CarbonylContact C-O 3.58Å; Y463-V534 WeakPolarHBondContact CA-O 3.47Å; V464-V534 HydrophobicContact CG1-CG2 3.93Å; V464-V534 PolarHBondContact N-O 3.07Å; V464-V534 PolarHBondContact O-N 3.4Å; P466-V534 HydrophobicContact CB-CG1 4.42Å; P466-V534 HydrophobicContact CB-CG2 4.3Å; P466-V534 HydrophobicContact CG-CG1 4.38Å; C524-V534 WeakPolarHBondContact O-CG1 3.49Å; M527-V534 HydrophobicContact CB-CG1 3.87Å; A528-V534 HydrophobicContact CB-CG1 4.02Å; V534-A536 PolarHBondContact O-N 3.17Å; V534-A539 HydrophobicContact CG2-CB 3.36Å; V534-F541 HydrophobicContact CG1-CE2 4.09Å; V534-F541 HydrophobicContact CG1-CZ 4.41Å; V534-F541 HydrophobicContact CG2-CE2 4.1Å; V534-F541 HydrophobicContact CG2-CZ 4.45Å
535P95.7Very high95.3Very high0 Ų015.5 Ų15.50%07%0.073CC..SBendtrans-75.286.4178.830.2-36000111.9Y463 G477 W478 P480 M527Y463-P535 HydrophobicContact CD1-CB 3.92Å; Y463-P535 HydrophobicContact CE1-CB 3.68Å; G477-P535 VanDerWaalsContact CA-O 3.24Å; G477-P535 WeakPolarHBondContact CA-O 3.37Å; W478-P535 HydrophobicContact CD2-CB 3.9Å; W478-P535 VanDerWaalsContact CE2-CB 3.43Å; W478-P535 HydrophobicContact CG-CB 4.13Å; W478-P535 HydrophobicContact CZ2-CB 3.81Å; W478-P535 PolarHBondContact N-O 3.42Å; W478-P535 VanDerWaalsContact N-O 3.14Å; W478-P535 VanDerWaalsContact O-CG 3.3Å; W478-P535 WeakPolarHBondContact O-CG 3.18Å; P480-P535 HydrophobicContact CB-CG 4.1Å; P480-P535 HydrophobicContact CG-CG 4.24Å; M527-P535 HydrophobicContact SD-CG 4.48Å
536A95.9Very high94.9Very high4 Ų416.7 Ų16.73%0.0338%0.079CC..SBendtrans-161.1166.2177.600000111.7V464 I474 V534 A539V464-A536 WeakPolarHBondContact CB-O 3.26Å; V464-A536 HydrophobicContact CG1-CB 4.07Å; V464-A536 WeakPolarHBondContact CG1-O 3.48Å; I474-A536 HydrophobicContact CG2-CB 3.87Å; V534-A536 PolarHBondContact O-N 3.17Å; A536-A539 HydrophobicContact CB-CB 4.24Å
537E94.8Very high94.6Very high111 Ų11116.7 Ų16.752%0.5198%0.079SC..SBendtrans-75.5-33.6166.7-76.8-177.5-171.800112.3K475 Q476K475-E537 VanDerWaalsContact CE-OE2 3.23Å; K475-E537 WeakPolarHBondContact CE-OE2 3.47Å; K475-E537 IonicContact NZ-OE2 3.14Å; K475-E537 PolarHBondContact NZ-OE2 3.43Å; K475-E537 PolarHBondContact O-N 3.22Å; Q476-E537 HydrophobicContact CB-CB 4.19Å; Q476-E537 HydrophobicContact CB-CG 3.76Å; Q476-E537 HydrophobicContact CG-CG 4.33Å
538Y95.9Very high94.2Very high96 Ų9616.7 Ų16.738%0.3768%0.079SC..EExtended strand (participates in β ladder)trans-154.8140176.3167.3-90.1000108.1E467 A473 K475E467-Y538 PolarHBondContact OE2-OH 3.14Å; A473-Y538 HydrophobicContact CB-CE1 4.34Å; K475-Y538 HydrophobicContact CB-CD1 4.44Å; K475-Y538 PolarHBondContact N-O 2.79Å; K475-Y538 PolarHBondContact O-N 3.32Å
539A96.4Very high93.9Very high1 Ų116.8 Ų16.81%0.0088%0.079CC..EExtended strand (participates in β ladder)trans-144132.1178.800000111.8V464 P466 E467 A473 V534 A536 F541V464-A539 HydrophobicContact CG1-CB 4.25Å; P466-A539 WeakPolarHBondContact CA-O 3.37Å; E467-A539 PolarHBondContact N-O 3.33Å; A473-A539 CarbonylContact O-C 3.6Å; A473-A539 VanDerWaalsContact O-CA 3.29Å; A473-A539 WeakPolarHBondContact O-CA 3.45Å; V534-A539 HydrophobicContact CG2-CB 3.36Å; A536-A539 HydrophobicContact CB-CB 4.24Å; A539-F541 HydrophobicContact CB-CD2 4.45Å; A539-F541 HydrophobicContact CB-CE2 3.56Å; A539-F541 HydrophobicContact CB-CZ 3.96Å
540S96Very high93.4Very high0 Ų018 Ų180%08%0.084CC..EExtended strand (participates in β ladder)trans-129.8138.7168.3-172.30000109.9E467 T469 T471 L472 A473E467-S540 CarbonylContact O-C 3.59Å; E467-S540 WeakPolarHBondContact O-CA 3.29Å; E467-S540 PolarHBondContact O-OG 3.33Å; E467-S540 VanDerWaalsContact O-OG 3.12Å; T469-S540 WeakPolarHBondContact CB-OG 3.25Å; T469-S540 VanDerWaalsContact CG2-OG 3.28Å; T469-S540 WeakPolarHBondContact CG2-OG 3.29Å; T469-S540 PolarHBondContact OG1-OG 3.18Å; T471-S540 CarbonylContact O-C 3.59Å; L472-S540 CarbonylContact C-O 3.44Å; L472-S540 WeakPolarHBondContact CA-O 3.34Å; A473-S540 PolarHBondContact N-O 3.26Å; A473-S540 PolarHBondContact O-N 3.46Å
541F95.8Very high92.7Very high0 Ų018.2 Ų18.20%09%0.085CC..EExtended strand (participates in β ladder)trans-130.3142.4-176.5-61.2-82.4000111.6P466 E467 F468 T469 T471 L472 I474 C524 Q525 A528 V534 A539P466-F541 HydrophobicContact CB-CD2 3.84Å; P466-F541 HydrophobicContact CB-CE2 3.85Å; E467-F541 PolarHBondContact O-N 3.04Å; F468-F541 VanDerWaalsContact CA-O 3.32Å; F468-F541 WeakPolarHBondContact CA-O 3.39Å; F468-F541 HydrophobicContact CD1-CB 4.4Å; F468-F541 HydrophobicContact CE1-CB 4.34Å; T469-F541 PolarHBondContact N-O 2.87Å; T469-F541 CarbonylContact O-C 3.47Å; T469-F541 VanDerWaalsContact O-O 3.1Å; T471-F541 CarbonylContact O-C 3.55Å; T471-F541 WeakPolarHBondContact O-CA 3.31Å; T471-F541 PolarHBondContact O-N 3.12Å; L472-F541 HydrophobicContact CG-CD1 4.17Å; I474-F541 HydrophobicContact CD1-CE1 3.79Å; I474-F541 HydrophobicContact CD1-CZ 4.08Å; I474-F541 HydrophobicContact CG1-CE1 3.95Å; I474-F541 HydrophobicContact CG1-CZ 4.04Å; C524-F541 HydrophobicContact CB-CE1 4.02Å; C524-F541 HydrophobicContact CB-CZ 3.71Å; Q525-F541 HydrophobicContact CB-CD1 4.4Å; A528-F541 HydrophobicContact CB-CD2 3.45Å; A528-F541 VanDerWaalsContact CB-CD2 3.45Å; A528-F541 HydrophobicContact CB-CE2 3.68Å; A528-F541 HydrophobicContact CB-CG 4.1Å; A528-F541 HydrophobicContact CB-CZ 4.49Å; V534-F541 HydrophobicContact CG1-CE2 4.09Å; V534-F541 HydrophobicContact CG1-CZ 4.41Å; V534-F541 HydrophobicContact CG2-CE2 4.1Å; V534-F541 HydrophobicContact CG2-CZ 4.45Å; A539-F541 HydrophobicContact CB-CD2 4.45Å; A539-F541 HydrophobicContact CB-CE2 3.56Å; A539-F541 HydrophobicContact CB-CZ 3.96Å
542R94Very high91.2Very high35 Ų3520.7 Ų20.713%0.13210%0.102CC..PPolyproline II helixtrans-82.3134.1161.5-171.9174.569.41296.1108.8T469 T471 Q525 A544 D580 F615T469-R542 WeakPolarHBondContact O-CA 3.46Å; T469-R542 PolarHBondContact O-N 2.83Å; T471-R542 PolarHBondContact O-N 2.87Å; T471-R542 VanDerWaalsContact O-N 3.1Å; Q525-R542 PolarHBondContact NE2-O 2.93Å; R542-A544 PolarHBondContact O-N 2.95Å; R542-A544 VanDerWaalsContact O-N 3.12Å; R542-D580 VanDerWaalsContact CZ-O 3.29Å; R542-D580 PolarHBondContact NH1-O 2.91Å; R542-D580 PolarHBondContact NH2-O 2.89Å; R542-F615 HydrophobicContact CB-CD2 4.5Å; R542-F615 HydrophobicContact CB-CE2 3.79Å; R542-F615 HydrophobicContact CB-CZ 4.38Å; R542-F615 HydrophobicContact CG-CE2 4.45Å; R542-F615 VanDerWaalsContact NH2-CG 3.32Å
543I93.7Very high89.2Confident30 Ų3024 Ų2415%0.15412%0.123CC..PPolyproline II helixtrans-59.4119.1177.1-65.6-67.9000109.6V188 V190 I193 F468 Q529V188-I543 HydrophobicContact CB-CG2 4.19Å; V188-I543 HydrophobicContact CG1-CG2 3.65Å; V188-I543 WeakPolarHBondContact O-CG2 3.49Å; V190-I543 HydrophobicContact CG2-CD1 3.83Å; V190-I543 HydrophobicContact CG2-CG1 3.55Å; I193-I543 HydrophobicContact CD1-CD1 3.78Å; F468-I543 HydrophobicContact CD1-CD1 3.31Å; F468-I543 HydrophobicContact CD1-CG1 4.01Å; F468-I543 HydrophobicContact CE1-CD1 3.5Å; F468-I543 HydrophobicContact CG-CD1 4.11Å; F468-I543 HydrophobicContact CZ-CD1 4.44Å; Q529-I543 HydrophobicContact CG-CD1 4.21Å
544A92.2Very high86.9Confident4 Ų430.7 Ų30.73%0.03316%0.16CC..PPolyproline II helixtrans-94.4119.7175.400000109.1A138 Q525 Q529 R542 Q546 I547 K581 L583A138-A544 VanDerWaalsContact CB-O 3.28Å; A138-A544 WeakPolarHBondContact CB-O 3.45Å; Q525-A544 HydrophobicContact CG-CB 4.25Å; Q529-A544 PolarHBondContact NE2-O 2.86Å; Q529-A544 VanDerWaalsContact OE1-N 3.11Å; Q529-A544 PolarHBondContact OE1-O 3.27Å; R542-A544 PolarHBondContact O-N 2.95Å; R542-A544 VanDerWaalsContact O-N 3.12Å; A544-Q546 VanDerWaalsContact C-N 3.34Å; A544-I547 HydrophobicContact CB-CG1 3.99Å; A544-K581 WeakPolarHBondContact CA-O 2.95Å; A544-L583 HydrophobicContact CB-CB 4.07Å
545A87.8Confident84.5Confident24 Ų2436.1 Ų36.120%0.19819%0.188CC..SBendtrans-80-22.6174.400000111.7A138 M139 K581A138-A545 CarbonylContact C-O 3.59Å; A138-A545 VanDerWaalsContact CA-O 3.28Å; A138-A545 WeakPolarHBondContact CA-O 3.44Å; M139-A545 PolarHBondContact N-O 3.22Å; A545-K581 HydrophobicContact CB-CB 3.96Å; A545-K581 PolarHBondContact N-O 3.14Å
546Q87.8Confident82.1Confident26 Ų2640.8 Ų40.812%0.12121%0.214CC..EExtended strand (participates in β ladder)trans-144.3135178.7-58.9170-53.400108.9M139 A544 F548 N577 N579 S582 L583M139-Q546 HydrophobicContact CB-CB 4.49Å; M139-Q546 HydrophobicContact CB-CG 4.06Å; M139-Q546 WeakPolarHBondContact O-CA 3.48Å; A544-Q546 VanDerWaalsContact C-N 3.34Å; Q546-F548 HydrophobicContact CB-CD2 4.24Å; Q546-F548 HydrophobicContact CB-CE2 3.55Å; Q546-F548 HydrophobicContact CB-CZ 3.91Å; Q546-F548 HydrophobicContact CG-CE2 4.32Å; Q546-F548 HydrophobicContact CG-CZ 4.36Å; Q546-N577 PolarHBondContact NE2-O 3.44Å; Q546-N577 PolarHBondContact OE1-O 3.39Å; Q546-N579 PolarHBondContact OE1-ND2 3.09Å; Q546-N579 VanDerWaalsContact OE1-ND2 3.11Å; Q546-S582 CarbonylContact O-C 3.57Å; Q546-S582 WeakPolarHBondContact O-CA 3.36Å; Q546-S582 PolarHBondContact OE1-OG 3.37Å; Q546-L583 PolarHBondContact O-N 2.84Å
547I90.8Very high79.9Confident0 Ų048.4 Ų48.40%025%0.252CS..EExtended strand (participates in β ladder)trans-120.4113.2176.8-56.1175.1000107.3M139 I140 Q525 I526 A544 T549 L583M139-I547 PolarHBondContact O-N 2.94Å; I140-I547 HydrophobicContact CG1-CB 4.42Å; Q525-I547 HydrophobicContact CG-CD1 3.98Å; I526-I547 HydrophobicContact CD1-CD1 4.43Å; I526-I547 HydrophobicContact CG1-CD1 3.72Å; A544-I547 HydrophobicContact CB-CG1 3.99Å; I547-T549 HydrophobicContact CG2-CG2 4.29Å; I547-L583 WeakPolarHBondContact CA-O 3.4Å; I547-L583 HydrophobicContact CG1-CB 4.48Å; I547-L583 HydrophobicContact CG2-CD2 4.42Å
548F88.9Confident77.6Confident1 Ų150.8 Ų50.80%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-111.5131.2179.6-64.1-69.6000110Q546 Y573 I574 N577 A578 L583 I584 L585Q546-F548 HydrophobicContact CB-CD2 4.24Å; Q546-F548 HydrophobicContact CB-CE2 3.55Å; Q546-F548 HydrophobicContact CB-CZ 3.91Å; Q546-F548 HydrophobicContact CG-CE2 4.32Å; Q546-F548 HydrophobicContact CG-CZ 4.36Å; F548-Y573 HydrophobicContact CD1-CE1 4.13Å; F548-Y573 AromaticContact CE1-CE1 3.77Å; F548-Y573 HydrophobicContact CE1-CE1 3.77Å; F548-I574 HydrophobicContact CB-CD1 4.11Å; F548-I574 HydrophobicContact CB-CG1 3.92Å; F548-I574 HydrophobicContact CB-CG2 4.07Å; F548-I574 HydrophobicContact CD1-CG1 4.09Å; F548-I574 HydrophobicContact CD2-CG2 4.28Å; F548-I574 HydrophobicContact CG-CG1 4.11Å; F548-I574 HydrophobicContact CG-CG2 4.13Å; F548-N577 HydrophobicContact CE1-CB 4.35Å; F548-N577 HydrophobicContact CZ-CB 3.82Å; F548-A578 HydrophobicContact CE2-CB 4.2Å; F548-L583 PolarHBondContact N-O 3.28Å; F548-I584 HydrophobicContact CB-CG1 4.48Å; F548-I584 HydrophobicContact CD2-CG1 4.2Å; F548-I584 WeakPolarHBondContact O-CA 3.47Å; F548-L585 PolarHBondContact O-N 2.98Å
549T88.8Confident75.6Confident1 Ų149 Ų491%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-133.6123.5177.677.30000110.5S144 N147 L148 I547 L585S144-T549 WeakPolarHBondContact CA-OG1 3.34Å; S144-T549 VanDerWaalsContact CB-OG1 3.25Å; S144-T549 WeakPolarHBondContact CB-OG1 3.35Å; S144-T549 PolarHBondContact OG-N 2.84Å; S144-T549 PolarHBondContact OG-O 3.18Å; S144-T549 PolarHBondContact OG-OG1 2.59Å; S144-T549 VanDerWaalsContact OG-OG1 3.09Å; N147-T549 PolarHBondContact ND2-O 3.15Å; L148-T549 HydrophobicContact CD1-CG2 3.86Å; L148-T549 HydrophobicContact CD2-CG2 4.14Å; L148-T549 HydrophobicContact CG-CG2 4.02Å; I547-T549 HydrophobicContact CG2-CG2 4.29Å; T549-L585 CarbonylContact C-O 3.58Å; T549-L585 WeakPolarHBondContact CA-O 3.42Å; T549-L585 HydrophobicContact CG2-CB 4.12Å; T549-L585 HydrophobicContact CG2-CD1 3.71Å; T549-L585 HydrophobicContact CG2-CG 4.32Å
550R86.6Confident73.3Confident26 Ų2657.9 Ų57.910%0.09831%0.31CS..EExtended strand (participates in β ladder)trans-111.591168.2172.665.6-169.5112.318.2106.2S552 E567 E570 I571 I574 L585 D587R550-S552 PolarHBondContact NH2-OG 3.37Å; R550-E567 IonicContact NH2-OE1 3.08Å; R550-E570 WeakPolarHBondContact CD-OE2 3.13Å; R550-E570 IonicContact CZ-OE2 3.4Å; R550-E570 VanDerWaalsContact CZ-OE2 3.31Å; R550-E570 IonicContact NE-OE2 2.66Å; R550-E570 PolarHBondContact NE-OE2 2.87Å; R550-E570 VanDerWaalsContact NE-OE2 3.11Å; R550-E570 IonicContact NH1-OE2 2.63Å; R550-E570 PolarHBondContact NH1-OE2 2.79Å; R550-I571 HydrophobicContact CB-CD1 4.41Å; R550-I571 HydrophobicContact CG-CD1 4.17Å; R550-I574 HydrophobicContact CB-CD1 4.13Å; R550-L585 PolarHBondContact N-O 3.06Å; R550-D587 WeakPolarHBondContact O-CB 3.46Å; R550-D587 PolarHBondContact O-N 3.37Å
551I79.7Confident71.3Confident4 Ų460.2 Ų60.22%0.02133%0.326CS..  trans-114.5120.2176.5-56.5178.7000106.6N147 K519 T553 D587N147-I551 HydrophobicContact CB-CB 4.25Å; K519-I551 HydrophobicContact CD-CD1 4.37Å; K519-I551 HydrophobicContact CG-CD1 3.48Å; K519-I551 VanDerWaalsContact CG-CD1 3.48Å; I551-T553 PolarHBondContact O-N 3.36Å; I551-T553 VanDerWaalsContact O-N 3.1Å; I551-D587 HydrophobicContact CB-CB 4.36Å; I551-D587 HydrophobicContact CG1-CB 4.31Å; I551-D587 HydrophobicContact CG2-CB 4.28Å
552S64Low69.8Low52 Ų5263.8 Ų63.836%0.36435%0.351SS..  trans-66.8111.4-178.8-70.50000109.9R550R550-S552 PolarHBondContact NH2-OG 3.37Å
553T53.7Low68.7Low71 Ų7165.9 Ų65.944%0.43637%0.368SS..  trans-95.8140160.753.50000108.4I551I551-T553 PolarHBondContact O-N 3.36Å; I551-T553 VanDerWaalsContact O-N 3.1Å
554D49.1Very low68Low159 Ų15966.3 Ų66.385%0.8537%0.369SS*.  trans-53.4150.1-176.1-71.2-41.3000113.2D556D554-D556 PolarHBondContact O-N 3.24Å
555D47.5Very low67.1Low113 Ų11370.8 Ų70.860%0.60439%0.39SS*.  trans-37.8116.1-168.3-62-38.9000116.6I557 T563D555-I557 VanDerWaalsContact C-N 3.32Å; D555-I557 PolarHBondContact O-N 2.92Å; D555-T563 VanDerWaalsContact OD1-CG2 3.25Å; D555-T563 WeakPolarHBondContact OD1-CG2 3.2Å
556D44.1Very low66.4Low99 Ų9973.2 Ų73.253%0.52940%0.396SS..  trans-71.489.5157-89.7-35.9000109.1D554 E558 T559 K566D554-D556 PolarHBondContact O-N 3.24Å; D556-E558 PolarHBondContact O-N 2.91Å; D556-T559 PolarHBondContact O-N 3.46Å; D556-T559 PolarHBondContact O-OG1 3.02Å; D556-K566 IonicContact OD2-NZ 2.85Å
557I50.5Low66Low164 Ų16472.4 Ų72.484%0.84139%0.392SS*.THydrogen-bonded Turntrans-55.4-21.6172.4-66.2170.2000111.6D555D555-I557 VanDerWaalsContact C-N 3.32Å; D555-I557 PolarHBondContact O-N 2.92Å
558E47.4Very low65.6Low161 Ų16174.4 Ų74.475%0.75240%0.402SS*.THydrogen-bonded Turntrans-78.6-15.3-176.1-68.8-166.8165.700115.3K61 D556K61-E558 IonicContact NZ-OE2 3.5Å; D556-E558 PolarHBondContact O-N 2.91Å
559T52Low64.9Low59 Ų5980.7 Ų80.736%0.36243%0.43SS..SBendtrans-95.3121.6179.858.80000110.8D556 S561D556-T559 PolarHBondContact O-N 3.46Å; D556-T559 PolarHBondContact O-OG1 3.02Å; T559-S561 PolarHBondContact O-N 3.27Å
560N48.6Very low64.4Low186 Ų18682.2 Ų82.2100%0.99544%0.436SS*.SBendtrans-69.530-177.3-137.210.3000113.4
561S54.5Low64.3Low49 Ų4981.3 Ų81.334%0.34343%0.433SS..SBendtrans-125.1134.9-177.253.80000110.2T559 T563T559-S561 PolarHBondContact O-N 3.27Å; S561-T563 PolarHBondContact O-N 3.19Å
562S65.4Low64.3Low75 Ų7583 Ų8352%0.52445%0.448SS..  trans-52.2134.7171.9170.50000110.8F564 M565 K566S562-F564 PolarHBondContact O-N 2.92Å; S562-F564 PolarHBondContact OG-N 3.49Å; S562-M565 WeakPolarHBondContact O-CA 3.36Å; S562-M565 WeakPolarHBondContact O-CB 3.36Å; S562-M565 PolarHBondContact O-N 3.33Å; S562-K566 PolarHBondContact O-N 3.03Å
563T70.7Confident64.8Low79 Ų7982.3 Ų82.349%0.48544%0.438SS..Hα-helixtrans-52.4-39.9177.650.20000111.8D555 S561 K566 E567D555-T563 VanDerWaalsContact OD1-CG2 3.25Å; D555-T563 WeakPolarHBondContact OD1-CG2 3.2Å; S561-T563 PolarHBondContact O-N 3.19Å; T563-K566 PolarHBondContact O-N 3.41Å; T563-E567 WeakPolarHBondContact O-CB 3.39Å; T563-E567 PolarHBondContact O-N 3.05Å
564F77.4Confident66.1Low40 Ų4079.3 Ų79.318%0.17542%0.419CS..Hα-helixtrans-65-40.1174.7-175.6-106.3000113S562 K566 E567 M568 T593 I601S562-F564 PolarHBondContact O-N 2.92Å; S562-F564 PolarHBondContact OG-N 3.49Å; F564-K566 VanDerWaalsContact C-N 3.35Å; F564-K566 PolarHBondContact O-N 2.84Å; F564-E567 WeakPolarHBondContact O-CB 3.36Å; F564-E567 PolarHBondContact O-N 3.23Å; F564-M568 HydrophobicContact CD1-CG 4.15Å; F564-M568 HydrophobicContact CD2-CE 4.3Å; F564-M568 HydrophobicContact CE1-CG 3.75Å; F564-M568 HydrophobicContact CE1-SD 4.33Å; F564-M568 HydrophobicContact CE2-CE 3.7Å; F564-M568 HydrophobicContact CE2-CG 4.27Å; F564-M568 HydrophobicContact CE2-SD 4.2Å; F564-M568 HydrophobicContact CZ-CE 3.97Å; F564-M568 HydrophobicContact CZ-CG 3.82Å; F564-M568 HydrophobicContact CZ-SD 3.82Å; F564-M568 WeakPolarHBondContact O-CG 3.43Å; F564-M568 PolarHBondContact O-N 2.9Å; F564-T593 HydrophobicContact CD2-CG2 4.27Å; F564-T593 HydrophobicContact CE2-CG2 3.53Å; F564-T593 HydrophobicContact CZ-CG2 3.77Å; F564-I601 HydrophobicContact CZ-CD1 3.85Å
565M74.9Confident67.8Low98 Ų9873.7 Ų73.748%0.48339%0.389SS..Hα-helixtrans-67.3-36.5177.4-177.461.365.300111.8S562 K569S562-M565 WeakPolarHBondContact O-CA 3.36Å; S562-M565 WeakPolarHBondContact O-CB 3.36Å; S562-M565 PolarHBondContact O-N 3.33Å; M565-K569 WeakPolarHBondContact O-CG 3.28Å; M565-K569 PolarHBondContact O-N 2.85Å; M565-K569 VanDerWaalsContact O-N 3.08Å
566K72.4Confident69.1Low74 Ų7476 Ų7632%0.32240%0.396SS..Hα-helixtrans-62.9-47.5172.5-174.6-179.8177-176.80110.3D556 S562 T563 F564 M568 K569 E570D556-K566 IonicContact OD2-NZ 2.85Å; S562-K566 PolarHBondContact O-N 3.03Å; T563-K566 PolarHBondContact O-N 3.41Å; F564-K566 VanDerWaalsContact C-N 3.35Å; F564-K566 PolarHBondContact O-N 2.84Å; K566-M568 PolarHBondContact O-N 3.21Å; K566-K569 PolarHBondContact O-N 3.13Å; K566-E570 WeakPolarHBondContact CE-OE1 3.43Å; K566-E570 WeakPolarHBondContact O-CG 3.25Å; K566-E570 PolarHBondContact O-N 2.8Å
567E79.5Confident70.6Confident9 Ų973 Ų734%0.04238%0.38CS..Hα-helixtrans-56.6-46.3175.6179.1178.7-15000112.5R550 T563 F564 K569 E570 I571 L589 G590R550-E567 IonicContact NH2-OE1 3.08Å; T563-E567 WeakPolarHBondContact O-CB 3.39Å; T563-E567 PolarHBondContact O-N 3.05Å; F564-E567 WeakPolarHBondContact O-CB 3.36Å; F564-E567 PolarHBondContact O-N 3.23Å; E567-K569 PolarHBondContact O-N 3.48Å; E567-E570 PolarHBondContact O-N 2.84Å; E567-I571 WeakPolarHBondContact O-CG1 2.96Å; E567-I571 PolarHBondContact O-N 2.56Å; E567-L589 HydrophobicContact CG-CD1 3.75Å; E567-L589 VanDerWaalsContact OE1-CA 3.31Å; E567-L589 WeakPolarHBondContact OE1-CA 3.48Å; E567-L589 WeakPolarHBondContact OE1-CD1 3.44Å; E567-G590 PolarHBondContact OE1-N 3.39Å
568M82.8Confident72Confident42 Ų4266 Ų6621%0.20735%0.346CS..Hα-helixtrans-65.4-36.2177.9-68.6-58.3100.100112.8F564 K566 A572 L589 I601F564-M568 HydrophobicContact CD1-CG 4.15Å; F564-M568 HydrophobicContact CD2-CE 4.3Å; F564-M568 HydrophobicContact CE1-CG 3.75Å; F564-M568 HydrophobicContact CE1-SD 4.33Å; F564-M568 HydrophobicContact CE2-CE 3.7Å; F564-M568 HydrophobicContact CE2-CG 4.27Å; F564-M568 HydrophobicContact CE2-SD 4.2Å; F564-M568 HydrophobicContact CZ-CE 3.97Å; F564-M568 HydrophobicContact CZ-CG 3.82Å; F564-M568 HydrophobicContact CZ-SD 3.82Å; F564-M568 WeakPolarHBondContact O-CG 3.43Å; F564-M568 PolarHBondContact O-N 2.9Å; K566-M568 PolarHBondContact O-N 3.21Å; M568-A572 VanDerWaalsContact O-CB 3.26Å; M568-A572 WeakPolarHBondContact O-CB 3.25Å; M568-A572 PolarHBondContact O-N 3.09Å; M568-L589 HydrophobicContact CE-CD1 3.76Å; M568-I601 HydrophobicContact CE-CG2 4.29Å; M568-I601 HydrophobicContact SD-CD1 4.4Å; M568-I601 HydrophobicContact SD-CG2 4.08Å
569K73.9Confident73.8Confident134 Ų13461 Ų6158%0.58333%0.325SS*.Hα-helixtrans-66.9-40.9174.9-75.5176.5-179.7179.80112M565 K566 E567 A572 Y573M565-K569 WeakPolarHBondContact O-CG 3.28Å; M565-K569 PolarHBondContact O-N 2.85Å; M565-K569 VanDerWaalsContact O-N 3.08Å; K566-K569 PolarHBondContact O-N 3.13Å; E567-K569 PolarHBondContact O-N 3.48Å; K569-A572 PolarHBondContact O-N 3.49Å; K569-Y573 WeakPolarHBondContact O-CB 3.4Å; K569-Y573 PolarHBondContact O-N 2.56Å
570E77.2Confident75.5Confident32 Ų3262.4 Ų62.415%0.1533%0.33CS..Hα-helixtrans-63.1-45.9176.2-72.5172.2-170.600110.8R550 K566 E567 Y573 I574R550-E570 WeakPolarHBondContact CD-OE2 3.13Å; R550-E570 IonicContact CZ-OE2 3.4Å; R550-E570 VanDerWaalsContact CZ-OE2 3.31Å; R550-E570 IonicContact NE-OE2 2.66Å; R550-E570 PolarHBondContact NE-OE2 2.87Å; R550-E570 VanDerWaalsContact NE-OE2 3.11Å; R550-E570 IonicContact NH1-OE2 2.63Å; R550-E570 PolarHBondContact NH1-OE2 2.79Å; K566-E570 WeakPolarHBondContact CE-OE1 3.43Å; K566-E570 WeakPolarHBondContact O-CG 3.25Å; K566-E570 PolarHBondContact O-N 2.8Å; E567-E570 PolarHBondContact O-N 2.84Å; E570-Y573 WeakPolarHBondContact O-CB 3.25Å; E570-Y573 PolarHBondContact O-N 2.96Å; E570-I574 WeakPolarHBondContact O-CG1 3.4Å; E570-I574 PolarHBondContact O-N 2.94Å
571I85.8Confident77.4Confident7 Ų759.1 Ų59.14%0.03631%0.307CS..Hα-helixtrans-64.1-45.9175.4-67.3-60.9000111.9R550 E567 Y573 I574 L575 I586 L589 V605R550-I571 HydrophobicContact CB-CD1 4.41Å; R550-I571 HydrophobicContact CG-CD1 4.17Å; E567-I571 WeakPolarHBondContact O-CG1 2.96Å; E567-I571 PolarHBondContact O-N 2.56Å; I571-Y573 PolarHBondContact O-N 3.35Å; I571-I574 HydrophobicContact CD1-CD1 4.38Å; I571-I574 PolarHBondContact O-N 3.18Å; I571-L575 HydrophobicContact CG2-CD1 3.72Å; I571-L575 HydrophobicContact CG2-CG 4.11Å; I571-L575 VanDerWaalsContact O-CG 3.31Å; I571-L575 WeakPolarHBondContact O-CG 3.31Å; I571-L575 PolarHBondContact O-N 3.37Å; I571-I586 HydrophobicContact CD1-CD1 4.17Å; I571-I586 HydrophobicContact CD1-CG1 4.4Å; I571-L589 HydrophobicContact CD1-CD1 3.99Å; I571-L589 HydrophobicContact CD1-CD2 4.08Å; I571-L589 HydrophobicContact CG1-CD1 3.56Å; I571-L589 HydrophobicContact CG1-CD2 4.18Å; I571-V605 HydrophobicContact CG2-CG1 3.96Å; I571-V605 HydrophobicContact CG2-CG2 3.87Å
572A78.2Confident79.1Confident40 Ų4056.8 Ų56.833%0.33129%0.291SS..Hα-helixtrans-57.1-39.4176.500000111.3M568 K569 L575 H576M568-A572 VanDerWaalsContact O-CB 3.26Å; M568-A572 WeakPolarHBondContact O-CB 3.25Å; M568-A572 PolarHBondContact O-N 3.09Å; K569-A572 PolarHBondContact O-N 3.49Å; A572-L575 PolarHBondContact O-N 2.94Å; A572-H576 WeakPolarHBondContact O-CB 3.47Å; A572-H576 PolarHBondContact O-CD2 3.36Å; A572-H576 PolarHBondContact O-N 2.98Å
573Y74.6Confident80.5Confident37 Ų3753.4 Ų53.415%0.14527%0.266CS..Hα-helixtrans-62.5-44.8174.5172.7-98.4000112.6A23 M139 D141 F548 K569 E570 I571 N577A23-Y573 HydrophobicContact CB-CE2 3.48Å; A23-Y573 VanDerWaalsContact CB-CE2 3.48Å; A23-Y573 VanDerWaalsContact CB-OH 3.25Å; A23-Y573 WeakPolarHBondContact CB-OH 3.42Å; M139-Y573 WeakPolarHBondContact CE-OH 3.31Å; D141-Y573 HydrophobicContact CB-CE1 3.92Å; F548-Y573 HydrophobicContact CD1-CE1 4.13Å; F548-Y573 AromaticContact CE1-CE1 3.77Å; F548-Y573 HydrophobicContact CE1-CE1 3.77Å; K569-Y573 WeakPolarHBondContact O-CB 3.4Å; K569-Y573 PolarHBondContact O-N 2.56Å; E570-Y573 WeakPolarHBondContact O-CB 3.25Å; E570-Y573 PolarHBondContact O-N 2.96Å; I571-Y573 PolarHBondContact O-N 3.35Å; Y573-N577 WeakPolarHBondContact CD2-ND2 3.23Å; Y573-N577 WeakPolarHBondContact CE2-ND2 3.25Å; Y573-N577 PolarHBondContact O-N 3.36Å; Y573-N577 PolarHBondContact O-ND2 2.86Å
574I82.8Confident81.6Confident8 Ų849.6 Ų49.64%0.04124%0.243CC..Hα-helixtrans-60.6-49.5175.7-65.2173000110.1F548 R550 E570 I571 H576 N577 A578 I584F548-I574 HydrophobicContact CB-CD1 4.11Å; F548-I574 HydrophobicContact CB-CG1 3.92Å; F548-I574 HydrophobicContact CB-CG2 4.07Å; F548-I574 HydrophobicContact CD1-CG1 4.09Å; F548-I574 HydrophobicContact CD2-CG2 4.28Å; F548-I574 HydrophobicContact CG-CG1 4.11Å; F548-I574 HydrophobicContact CG-CG2 4.13Å; R550-I574 HydrophobicContact CB-CD1 4.13Å; E570-I574 WeakPolarHBondContact O-CG1 3.4Å; E570-I574 PolarHBondContact O-N 2.94Å; I571-I574 HydrophobicContact CD1-CD1 4.38Å; I571-I574 PolarHBondContact O-N 3.18Å; I574-H576 VanDerWaalsContact C-N 3.34Å; I574-H576 PolarHBondContact O-N 3.35Å; I574-N577 PolarHBondContact O-N 3.12Å; I574-A578 WeakPolarHBondContact O-CB 3.46Å; I574-A578 PolarHBondContact O-N 2.7Å; I574-I584 HydrophobicContact CG2-CD1 4.22Å; I574-I584 HydrophobicContact CG2-CG1 4.43Å; I574-I584 HydrophobicContact CG2-CG2 3.96Å
575L83.8Confident82.4Confident41 Ų4147.7 Ų47.722%0.21524%0.235CC..Hα-helixtrans-63.2-37.6-177.2-63.1171.5000112.8I571 A572 N577 V605 H608 L609I571-L575 HydrophobicContact CG2-CD1 3.72Å; I571-L575 HydrophobicContact CG2-CG 4.11Å; I571-L575 VanDerWaalsContact O-CG 3.31Å; I571-L575 WeakPolarHBondContact O-CG 3.31Å; I571-L575 PolarHBondContact O-N 3.37Å; A572-L575 PolarHBondContact O-N 2.94Å; L575-N577 VanDerWaalsContact C-N 3.35Å; L575-V605 HydrophobicContact CD1-CG2 4.36Å; L575-V605 HydrophobicContact CD2-CG1 4.27Å; L575-H608 HydrophobicContact CD2-CB 4.4Å; L575-L609 HydrophobicContact CD2-CD2 3.62Å; L575-L609 HydrophobicContact CD2-CG 3.94Å
576H75.7Confident83.3Confident163 Ų16343 Ų4376%0.75521%0.212SC*.Hα-helixtrans-72.7-24.9179.2-82.6-57.4000114.3A572 I574A572-H576 WeakPolarHBondContact O-CB 3.47Å; A572-H576 PolarHBondContact O-CD2 3.36Å; A572-H576 PolarHBondContact O-N 2.98Å; I574-H576 VanDerWaalsContact C-N 3.34Å; I574-H576 PolarHBondContact O-N 3.35Å
577N73.9Confident84.2Confident36 Ų3639.6 Ų39.619%0.19320%0.197CC..Hα-helixtrans-110.8-15.6-173.7-64.6-74000113.8N19 Q546 F548 Y573 I574 L575N19-N577 PolarHBondContact ND2-OD1 3.25Å; Q546-N577 PolarHBondContact NE2-O 3.44Å; Q546-N577 PolarHBondContact OE1-O 3.39Å; F548-N577 HydrophobicContact CE1-CB 4.35Å; F548-N577 HydrophobicContact CZ-CB 3.82Å; Y573-N577 WeakPolarHBondContact CD2-ND2 3.23Å; Y573-N577 WeakPolarHBondContact CE2-ND2 3.25Å; Y573-N577 PolarHBondContact O-N 3.36Å; Y573-N577 PolarHBondContact O-ND2 2.86Å; I574-N577 PolarHBondContact O-N 3.12Å; L575-N577 VanDerWaalsContact C-N 3.35Å
578A81.6Confident84.5Confident16 Ų1640.3 Ų40.313%0.13220%0.2CC..  trans-67.6145.9-179.900000113F548 I574 S582 I584 I612F548-A578 HydrophobicContact CE2-CB 4.2Å; I574-A578 WeakPolarHBondContact O-CB 3.46Å; I574-A578 PolarHBondContact O-N 2.7Å; A578-S582 WeakPolarHBondContact CA-OG 3.41Å; A578-I584 HydrophobicContact CB-CD1 3.82Å; A578-I612 HydrophobicContact CB-CD1 4.3Å
579N85.1Confident84.6Confident57 Ų5738.3 Ų38.331%0.30519%0.191SC..  trans-138.4-178.3174.161.938.2000111Q546 K581 S582 I612 A614Q546-N579 PolarHBondContact OE1-ND2 3.09Å; Q546-N579 VanDerWaalsContact OE1-ND2 3.11Å; N579-K581 PolarHBondContact O-N 3.42Å; N579-K581 VanDerWaalsContact O-N 3.16Å; N579-K581 WeakPolarHBondContact OD1-CA 3.43Å; N579-K581 PolarHBondContact OD1-N 3.43Å; N579-S582 PolarHBondContact N-OG 3.32Å; N579-S582 WeakPolarHBondContact O-CB 3.46Å; N579-S582 PolarHBondContact O-N 3.15Å; N579-S582 PolarHBondContact O-OG 2.92Å; N579-S582 VanDerWaalsContact O-OG 3.12Å; N579-S582 PolarHBondContact OD1-N 3.31Å; N579-S582 PolarHBondContact OD1-OG 3.19Å; N579-I612 WeakPolarHBondContact O-CG2 3.32Å; N579-A614 WeakPolarHBondContact O-CB 3.39Å
580D87.8Confident84.9Confident87 Ų8732 Ų3247%0.46516%0.163SC..THydrogen-bonded Turntrans-60-23-179.662.9-31.9000113.6R542 I612R542-D580 VanDerWaalsContact CZ-O 3.29Å; R542-D580 PolarHBondContact NH1-O 2.91Å; R542-D580 PolarHBondContact NH2-O 2.89Å; D580-I612 WeakPolarHBondContact CA-O 3.41Å
581K87.4Confident85Confident117 Ų11735 Ų3551%0.50917%0.173SC..THydrogen-bonded Turntrans-97.614.9176.8-59.8-174-178.7-175.40113.7A544 A545 N579A544-K581 WeakPolarHBondContact CA-O 2.95Å; A545-K581 HydrophobicContact CB-CB 3.96Å; A545-K581 PolarHBondContact N-O 3.14Å; N579-K581 PolarHBondContact O-N 3.42Å; N579-K581 VanDerWaalsContact O-N 3.16Å; N579-K581 WeakPolarHBondContact OD1-CA 3.43Å; N579-K581 PolarHBondContact OD1-N 3.43Å
582S90.8Very high84.5Confident1 Ų137 Ų371%0.00720%0.195CC..EExtended strand (participates in β ladder)trans-86145174.6-52.30000112.4Q546 A578 N579 F615Q546-S582 CarbonylContact O-C 3.57Å; Q546-S582 WeakPolarHBondContact O-CA 3.36Å; Q546-S582 PolarHBondContact OE1-OG 3.37Å; A578-S582 WeakPolarHBondContact CA-OG 3.41Å; N579-S582 PolarHBondContact N-OG 3.32Å; N579-S582 WeakPolarHBondContact O-CB 3.46Å; N579-S582 PolarHBondContact O-N 3.15Å; N579-S582 PolarHBondContact O-OG 2.92Å; N579-S582 VanDerWaalsContact O-OG 3.12Å; N579-S582 PolarHBondContact OD1-N 3.31Å; N579-S582 PolarHBondContact OD1-OG 3.19Å; S582-F615 PolarHBondContact O-N 3.28Å
583L94.5Very high84.6Confident3 Ų336.9 Ų36.92%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-104.4121.5161.7175.863.6000108.2L472 Q525 A544 Q546 I547 F548 F615 L617L472-L583 HydrophobicContact CD1-CD1 4.19Å; Q525-L583 HydrophobicContact CB-CD2 4.01Å; Q525-L583 HydrophobicContact CG-CD2 3.87Å; A544-L583 HydrophobicContact CB-CB 4.07Å; Q546-L583 PolarHBondContact O-N 2.84Å; I547-L583 WeakPolarHBondContact CA-O 3.4Å; I547-L583 HydrophobicContact CG1-CB 4.48Å; I547-L583 HydrophobicContact CG2-CD2 4.42Å; F548-L583 PolarHBondContact N-O 3.28Å; L583-F615 CarbonylContact C-O 3.48Å; L583-F615 WeakPolarHBondContact CA-O 3.13Å; L583-F615 HydrophobicContact CD1-CB 4.08Å; L583-L617 HydrophobicContact CD1-CD1 3.98Å
584I94.3Very high85Confident0 Ų039.1 Ų39.10%021%0.205CC..EExtended strand (participates in β ladder)trans-121.6125.2-172.7-56.2174.3000108.9F548 I574 A578 I586 L609 A614 F615 T616 L617F548-I584 HydrophobicContact CB-CG1 4.48Å; F548-I584 HydrophobicContact CD2-CG1 4.2Å; F548-I584 WeakPolarHBondContact O-CA 3.47Å; I574-I584 HydrophobicContact CG2-CD1 4.22Å; I574-I584 HydrophobicContact CG2-CG1 4.43Å; I574-I584 HydrophobicContact CG2-CG2 3.96Å; A578-I584 HydrophobicContact CB-CD1 3.82Å; I584-I586 HydrophobicContact CG2-CD1 4.01Å; I584-I586 HydrophobicContact CG2-CG1 3.93Å; I584-L609 HydrophobicContact CD1-CD2 3.54Å; I584-L609 HydrophobicContact CG2-CD1 4.28Å; I584-A614 HydrophobicContact CD1-CB 3.71Å; I584-A614 HydrophobicContact CG1-CB 4.36Å; I584-F615 PolarHBondContact N-O 3.3Å; I584-T616 HydrophobicContact CB-CG2 4.27Å; I584-T616 HydrophobicContact CG2-CG2 4.25Å; I584-T616 CarbonylContact O-C 3.58Å; I584-T616 VanDerWaalsContact O-CA 3.31Å; I584-T616 WeakPolarHBondContact O-CA 3.44Å; I584-L617 PolarHBondContact O-N 3.07Å
585L94.6Very high84.9Confident0 Ų043 Ų430%023%0.229CC..EExtended strand (participates in β ladder)trans-120.8112.2179.7-59.3172.1000108.2L518 A522 F548 T549 R550 L617L518-L585 HydrophobicContact CB-CD2 4.36Å; L518-L585 HydrophobicContact CD2-CD2 3.96Å; L518-L585 WeakPolarHBondContact O-CD1 3.3Å; A522-L585 HydrophobicContact CB-CD1 3.26Å; F548-L585 PolarHBondContact O-N 2.98Å; T549-L585 CarbonylContact C-O 3.58Å; T549-L585 WeakPolarHBondContact CA-O 3.42Å; T549-L585 HydrophobicContact CG2-CB 4.12Å; T549-L585 HydrophobicContact CG2-CD1 3.71Å; T549-L585 HydrophobicContact CG2-CG 4.32Å; R550-L585 PolarHBondContact N-O 3.06Å; L585-L617 HydrophobicContact CD2-CB 3.91Å; L585-L617 HydrophobicContact CD2-CD1 3.69Å; L585-L617 HydrophobicContact CD2-CD2 4.32Å; L585-L617 HydrophobicContact CD2-CG 4.18Å
586I92.8Very high84.7Confident0 Ų048.2 Ų48.20%025%0.252CS..EExtended strand (participates in β ladder)trans-116.7121.5179.9-63.5173.3000108.4I571 I584 L589 V605 L609 L617 F618 T619I571-I586 HydrophobicContact CD1-CD1 4.17Å; I571-I586 HydrophobicContact CD1-CG1 4.4Å; I584-I586 HydrophobicContact CG2-CD1 4.01Å; I584-I586 HydrophobicContact CG2-CG1 3.93Å; I586-L589 HydrophobicContact CG2-CB 3.76Å; I586-L589 HydrophobicContact CG2-CD2 4.45Å; I586-V605 HydrophobicContact CD1-CG1 4.42Å; I586-L609 HydrophobicContact CD1-CD1 3.58Å; I586-L617 PolarHBondContact N-O 3.44Å; I586-F618 HydrophobicContact CB-CD2 4.13Å; I586-F618 HydrophobicContact CB-CE2 4.36Å; I586-F618 HydrophobicContact CB-CG 4.35Å; I586-F618 HydrophobicContact CD1-CD2 4.02Å; I586-F618 HydrophobicContact CD1-CE2 4.03Å; I586-F618 HydrophobicContact CG2-CD1 4.47Å; I586-F618 HydrophobicContact CG2-CD2 4.17Å; I586-F618 HydrophobicContact CG2-CE1 4.23Å; I586-F618 HydrophobicContact CG2-CE2 3.94Å; I586-F618 HydrophobicContact CG2-CG 4.44Å; I586-F618 HydrophobicContact CG2-CZ 3.98Å; I586-F618 WeakPolarHBondContact O-CA 3.41Å; I586-T619 PolarHBondContact O-N 2.93Å; I586-T619 PolarHBondContact O-OG1 3.02Å
587D90.5Very high85.1Confident1 Ų145.6 Ų45.61%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-105.8111.5175.9-153.827.8000110.3S515 L518 R550 I551 L589 T619S515-D587 WeakPolarHBondContact CB-OD2 3.37Å; S515-D587 PolarHBondContact OG-OD2 2.84Å; L518-D587 HydrophobicContact CD1-CB 3.98Å; R550-D587 WeakPolarHBondContact O-CB 3.46Å; R550-D587 PolarHBondContact O-N 3.37Å; I551-D587 HydrophobicContact CB-CB 4.36Å; I551-D587 HydrophobicContact CG1-CB 4.31Å; I551-D587 HydrophobicContact CG2-CB 4.28Å; D587-L589 PolarHBondContact O-N 2.88Å; D587-T619 VanDerWaalsContact CA-OG1 3.22Å; D587-T619 WeakPolarHBondContact CA-OG1 3.3Å; D587-T619 PolarHBondContact OD1-OG1 2.87Å
588E85.8Confident85.7Confident25 Ų2543.9 Ų43.912%0.11723%0.231CC..SBendtrans62.641.5160.2-58.2-166.7142.700115.3K514 R591 T619 H621K514-E588 WeakPolarHBondContact CE-OE1 3.23Å; K514-E588 IonicContact NZ-OE1 3.91Å; E588-R591 VanDerWaalsContact CB-CZ 3.45Å; E588-R591 WeakPolarHBondContact O-CG 3.48Å; E588-R591 IonicContact OE1-CZ 3.21Å; E588-R591 IonicContact OE1-NH1 2.8Å; E588-R591 PolarHBondContact OE1-NH1 3.29Å; E588-R591 IonicContact OE1-NH2 2.76Å; E588-R591 PolarHBondContact OE1-NH2 2.91Å; E588-R591 IonicContact OE2-CZ 2.7Å; E588-R591 IonicContact OE2-NE 3.23Å; E588-R591 IonicContact OE2-NH1 3.96Å; E588-R591 PolarHBondContact OE2-NH1 3.26Å; E588-R591 IonicContact OE2-NH2 2.65Å; E588-R591 PolarHBondContact OE2-NH2 3.3Å; E588-R591 VanDerWaalsContact OE2-NH2 3.08Å; E588-T619 PolarHBondContact N-O 2.93Å; E588-T619 PolarHBondContact N-OG1 2.76Å; E588-H621 IonicContact OE1-CE1 3.83Å; E588-H621 PolarHBondContact OE1-CE1 3.07Å; E588-H621 IonicContact OE1-ND1 2.68Å; E588-H621 IonicContact OE1-NE2 3.44Å; E588-H621 PolarHBondContact OE1-NE2 2.79Å
589L86.3Confident85.8Confident0 Ų044.9 Ų44.90%023%0.234CC..THydrogen-bonded Turntrans-59.8140-178.8178.660.2000113.6E567 M568 I571 I586 D587 S602 V605 F618 F622E567-L589 HydrophobicContact CG-CD1 3.75Å; E567-L589 VanDerWaalsContact OE1-CA 3.31Å; E567-L589 WeakPolarHBondContact OE1-CA 3.48Å; E567-L589 WeakPolarHBondContact OE1-CD1 3.44Å; M568-L589 HydrophobicContact CE-CD1 3.76Å; I571-L589 HydrophobicContact CD1-CD1 3.99Å; I571-L589 HydrophobicContact CD1-CD2 4.08Å; I571-L589 HydrophobicContact CG1-CD1 3.56Å; I571-L589 HydrophobicContact CG1-CD2 4.18Å; I586-L589 HydrophobicContact CG2-CB 3.76Å; I586-L589 HydrophobicContact CG2-CD2 4.45Å; D587-L589 PolarHBondContact O-N 2.88Å; L589-S602 PolarHBondContact O-OG 3.37Å; L589-V605 HydrophobicContact CD2-CB 4.1Å; L589-V605 HydrophobicContact CD2-CG1 3.95Å; L589-V605 HydrophobicContact CD2-CG2 4.17Å; L589-F618 HydrophobicContact CB-CE1 4.23Å; L589-F618 HydrophobicContact CB-CZ 3.76Å; L589-F618 HydrophobicContact CD2-CE2 4.19Å; L589-F618 HydrophobicContact CD2-CZ 3.9Å; L589-F618 HydrophobicContact CG-CZ 4.39Å; L589-F622 WeakPolarHBondContact O-CE2 3.4Å
590G80.6Confident85.8Confident1 Ų144.1 Ų44.11%0.0124%0.239CC..THydrogen-bonded Turntrans87.421.6165.100000114.6E567 G598E567-G590 PolarHBondContact OE1-N 3.39Å; G590-G598 WeakPolarHBondContact O-CA 3.16Å
591R78.8Confident85.8Confident95 Ų9542.4 Ų42.436%0.35823%0.23SC..THydrogen-bonded Turntrans-78.8-25.4-179.8-74.7-172.5176.2-178.418.9115.4E588 T593 H621E588-R591 VanDerWaalsContact CB-CZ 3.45Å; E588-R591 WeakPolarHBondContact O-CG 3.48Å; E588-R591 IonicContact OE1-CZ 3.21Å; E588-R591 IonicContact OE1-NH1 2.8Å; E588-R591 PolarHBondContact OE1-NH1 3.29Å; E588-R591 IonicContact OE1-NH2 2.76Å; E588-R591 PolarHBondContact OE1-NH2 2.91Å; E588-R591 IonicContact OE2-CZ 2.7Å; E588-R591 IonicContact OE2-NE 3.23Å; E588-R591 IonicContact OE2-NH1 3.96Å; E588-R591 PolarHBondContact OE2-NH1 3.26Å; E588-R591 IonicContact OE2-NH2 2.65Å; E588-R591 PolarHBondContact OE2-NH2 3.3Å; E588-R591 VanDerWaalsContact OE2-NH2 3.08Å; R591-T593 PolarHBondContact O-N 3.43Å; R591-H621 PolarHBondContact NH1-CD2 2.81Å; R591-H621 VanDerWaalsContact NH1-CD2 3.34Å; R591-H621 PolarHBondContact NH1-NE2 3.3Å; R591-H621 VanDerWaalsContact NH1-NE2 3.11Å; R591-H621 PolarHBondContact NH2-CD2 2.73Å; R591-H621 PolarHBondContact NH2-CE1 3.01Å; R591-H621 PolarHBondContact NH2-ND1 3.45Å; R591-H621 PolarHBondContact NH2-NE2 3.28Å
592G74.8Confident85.9Confident48 Ų4836.9 Ų36.950%0.49521%0.206SC..THydrogen-bonded Turntrans-794.9-174.400000115.1
593T80.6Confident85.8Confident39 Ų3939.9 Ų39.924%0.23922%0.218CC..SBendtrans-133-179.3-175.7-1640000112.3F564 R591 T595 E597F564-T593 HydrophobicContact CD2-CG2 4.27Å; F564-T593 HydrophobicContact CE2-CG2 3.53Å; F564-T593 HydrophobicContact CZ-CG2 3.77Å; R591-T593 PolarHBondContact O-N 3.43Å; T593-T595 PolarHBondContact O-N 3.11Å; T593-E597 HydrophobicContact CG2-CB 4.1Å; T593-E597 PolarHBondContact OG1-OE2 3.39Å
594N83.3Confident85.5Confident84 Ų8442.2 Ų42.245%0.44924%0.237SC..  trans-52.3133.8172.7-176.521.1000110.6E596 E597 G598N594-E596 VanDerWaalsContact C-N 3.29Å; N594-E596 PolarHBondContact O-N 3.44Å; N594-E597 HydrophobicContact CB-CB 4.33Å; N594-E597 HydrophobicContact CB-CG 4.12Å; N594-E597 WeakPolarHBondContact O-CB 3.37Å; N594-E597 PolarHBondContact O-N 3.29Å; N594-G598 PolarHBondContact O-N 2.65Å
595T79.8Confident85.4Confident88 Ų8842.9 Ų42.954%0.5424%0.241SC..Hα-helixtrans-54-41.6-174.5520000113.5T593 G598 I599T593-T595 PolarHBondContact O-N 3.11Å; T595-G598 PolarHBondContact O-N 3.4Å; T595-I599 WeakPolarHBondContact O-CD1 3.15Å; T595-I599 VanDerWaalsContact O-CG1 3.23Å; T595-I599 WeakPolarHBondContact O-CG1 3.48Å; T595-I599 PolarHBondContact O-N 2.97Å
596E80.2Confident85.2Confident151 Ų15142.9 Ų42.971%0.70624%0.241SC*.Hα-helixtrans-64.6-42177.7-63-177.5167.500112.1N594 G600N594-E596 VanDerWaalsContact C-N 3.29Å; N594-E596 PolarHBondContact O-N 3.44Å; E596-G600 PolarHBondContact O-N 3.24Å
597E84.1Confident85Confident108 Ų10846.6 Ų46.651%0.50526%0.258SS..Hα-helixtrans-68.5-40.9176.5-63.8179.1174.300111.3T593 N594 G600 I601T593-E597 HydrophobicContact CG2-CB 4.1Å; T593-E597 PolarHBondContact OG1-OE2 3.39Å; N594-E597 HydrophobicContact CB-CB 4.33Å; N594-E597 HydrophobicContact CB-CG 4.12Å; N594-E597 WeakPolarHBondContact O-CB 3.37Å; N594-E597 PolarHBondContact O-N 3.29Å; E597-G600 PolarHBondContact O-N 2.99Å; E597-I601 WeakPolarHBondContact O-CB 3.48Å; E597-I601 VanDerWaalsContact O-CG1 3.3Å; E597-I601 WeakPolarHBondContact O-CG1 3.28Å; E597-I601 PolarHBondContact O-N 3.37Å
598G85.3Confident84.9Confident0 Ų050.8 Ų50.80%028%0.278CS..Hα-helixtrans-62.4-41.9177.600000112.6G590 N594 T595 S602G590-G598 WeakPolarHBondContact O-CA 3.16Å; N594-G598 PolarHBondContact O-N 2.65Å; T595-G598 PolarHBondContact O-N 3.4Å; G598-S602 VanDerWaalsContact O-CB 3.29Å; G598-S602 WeakPolarHBondContact O-CB 3.36Å; G598-S602 PolarHBondContact O-N 2.88Å; G598-S602 PolarHBondContact O-OG 3.28Å
599I85.3Confident85Confident38 Ų3849.6 Ų49.620%0.19527%0.272CS..Hα-helixtrans-63.1-48.9172.7-68164.3000110.1T595 I601 S602 Y603 F622 E624T595-I599 WeakPolarHBondContact O-CD1 3.15Å; T595-I599 VanDerWaalsContact O-CG1 3.23Å; T595-I599 WeakPolarHBondContact O-CG1 3.48Å; T595-I599 PolarHBondContact O-N 2.97Å; I599-I601 PolarHBondContact O-N 2.81Å; I599-S602 PolarHBondContact O-N 3.29Å; I599-Y603 VanDerWaalsContact O-CB 3.31Å; I599-Y603 WeakPolarHBondContact O-CB 3.47Å; I599-Y603 PolarHBondContact O-N 3.07Å; I599-F622 HydrophobicContact CD1-CD1 4.11Å; I599-F622 HydrophobicContact CD1-CG 4.44Å; I599-F622 HydrophobicContact CG1-CB 3.98Å; I599-F622 HydrophobicContact CG1-CD1 3.61Å; I599-F622 HydrophobicContact CG1-CD2 3.98Å; I599-F622 HydrophobicContact CG1-CE1 4.03Å; I599-F622 HydrophobicContact CG1-CE2 4.35Å; I599-F622 HydrophobicContact CG1-CG 3.59Å; I599-F622 HydrophobicContact CG1-CZ 4.38Å; I599-E624 HydrophobicContact CD1-CB 4.42Å; I599-E624 HydrophobicContact CD1-CG 4.09Å; I599-E624 HydrophobicContact CG2-CB 4.09Å
600G83.5Confident85.1Confident40 Ų4050.4 Ų50.441%0.41228%0.276SS..Hα-helixtrans-58.9-45-179.400000113.2E596 E597 A604E596-G600 PolarHBondContact O-N 3.24Å; E597-G600 PolarHBondContact O-N 2.99Å; G600-A604 WeakPolarHBondContact O-CB 3.45Å; G600-A604 PolarHBondContact O-N 3.11Å
601I88.3Confident85.3Confident52 Ų5254.3 Ų54.327%0.26730%0.304SS..Hα-helixtrans-65-48176.3-67.8167.5000110.5F564 M568 E597 I599 Y603 A604 V605F564-I601 HydrophobicContact CZ-CD1 3.85Å; M568-I601 HydrophobicContact CE-CG2 4.29Å; M568-I601 HydrophobicContact SD-CD1 4.4Å; M568-I601 HydrophobicContact SD-CG2 4.08Å; E597-I601 WeakPolarHBondContact O-CB 3.48Å; E597-I601 VanDerWaalsContact O-CG1 3.3Å; E597-I601 WeakPolarHBondContact O-CG1 3.28Å; E597-I601 PolarHBondContact O-N 3.37Å; I599-I601 PolarHBondContact O-N 2.81Å; I601-Y603 VanDerWaalsContact C-N 3.26Å; I601-Y603 PolarHBondContact O-N 3.37Å; I601-A604 PolarHBondContact O-N 3.11Å; I601-V605 HydrophobicContact CG2-CG2 4.13Å; I601-V605 WeakPolarHBondContact O-CB 3.42Å; I601-V605 VanDerWaalsContact O-CG2 3.22Å; I601-V605 WeakPolarHBondContact O-CG2 3.44Å; I601-V605 PolarHBondContact O-N 3.28Å
602S90Very high85.6Confident0 Ų051.2 Ų51.20%029%0.294CS..Hα-helixtrans-60-39.6-179.6-62.40000112.2L589 G598 I599 C606L589-S602 PolarHBondContact O-OG 3.37Å; G598-S602 VanDerWaalsContact O-CB 3.29Å; G598-S602 WeakPolarHBondContact O-CB 3.36Å; G598-S602 PolarHBondContact O-N 2.88Å; G598-S602 PolarHBondContact O-OG 3.28Å; I599-S602 PolarHBondContact O-N 3.29Å; S602-C606 VanDerWaalsContact O-CB 3.27Å; S602-C606 WeakPolarHBondContact O-CB 3.14Å; S602-C606 PolarHBondContact O-N 3.4Å
603Y89.6Confident86.1Confident65 Ų6555.7 Ų55.726%0.25530%0.3SS..Hα-helixtrans-63-52175.3-170.7-76.9000111.4I599 I601 V605 C606 E607 L625 L628 L631I599-Y603 VanDerWaalsContact O-CB 3.31Å; I599-Y603 WeakPolarHBondContact O-CB 3.47Å; I599-Y603 PolarHBondContact O-N 3.07Å; I601-Y603 VanDerWaalsContact C-N 3.26Å; I601-Y603 PolarHBondContact O-N 3.37Å; Y603-V605 VanDerWaalsContact C-N 3.33Å; Y603-V605 PolarHBondContact O-N 3.01Å; Y603-C606 PolarHBondContact O-N 3.45Å; Y603-E607 WeakPolarHBondContact O-CB 3.25Å; Y603-E607 PolarHBondContact O-N 3.4Å; Y603-L625 HydrophobicContact CD2-CD1 4.23Å; Y603-L628 HydrophobicContact CD2-CD1 4.32Å; Y603-L628 HydrophobicContact CD2-CD2 3.79Å; Y603-L628 HydrophobicContact CD2-CG 3.92Å; Y603-L628 HydrophobicContact CE1-CD2 3.99Å; Y603-L628 HydrophobicContact CE2-CD1 4.45Å; Y603-L628 HydrophobicContact CE2-CD2 3.19Å; Y603-L628 HydrophobicContact CE2-CG 3.61Å; Y603-L628 HydrophobicContact CG-CD2 4.41Å; Y603-L628 WeakPolarHBondContact OH-CD2 3.22Å; Y603-L631 HydrophobicContact CE2-CD1 4.47Å; Y603-L631 WeakPolarHBondContact OH-CD1 3.39Å
604A88.3Confident86.5Confident52 Ų5253.9 Ų53.943%0.4329%0.288SS..Hα-helixtrans-62.3-38.7-179.800000112.7G600 I601 H608G600-A604 WeakPolarHBondContact O-CB 3.45Å; G600-A604 PolarHBondContact O-N 3.11Å; I601-A604 PolarHBondContact O-N 3.11Å; A604-H608 WeakPolarHBondContact O-CB 3.45Å; A604-H608 PolarHBondContact O-N 3.16Å
605V90.9Very high87Confident13 Ų1350.1 Ų50.18%0.07927%0.268CS..Hα-helixtrans-64.6-46.7175170.60000110.5I571 L575 I586 L589 I601 Y603 E607 H608 L609I571-V605 HydrophobicContact CG2-CG1 3.96Å; I571-V605 HydrophobicContact CG2-CG2 3.87Å; L575-V605 HydrophobicContact CD1-CG2 4.36Å; L575-V605 HydrophobicContact CD2-CG1 4.27Å; I586-V605 HydrophobicContact CD1-CG1 4.42Å; L589-V605 HydrophobicContact CD2-CB 4.1Å; L589-V605 HydrophobicContact CD2-CG1 3.95Å; L589-V605 HydrophobicContact CD2-CG2 4.17Å; I601-V605 HydrophobicContact CG2-CG2 4.13Å; I601-V605 WeakPolarHBondContact O-CB 3.42Å; I601-V605 VanDerWaalsContact O-CG2 3.22Å; I601-V605 WeakPolarHBondContact O-CG2 3.44Å; I601-V605 PolarHBondContact O-N 3.28Å; Y603-V605 VanDerWaalsContact C-N 3.33Å; Y603-V605 PolarHBondContact O-N 3.01Å; V605-E607 VanDerWaalsContact C-N 3.34Å; V605-E607 PolarHBondContact O-N 3.02Å; V605-H608 PolarHBondContact O-N 3.16Å; V605-L609 HydrophobicContact CG1-CD1 4.15Å; V605-L609 VanDerWaalsContact O-CG 3.32Å; V605-L609 WeakPolarHBondContact O-CG 3.32Å; V605-L609 PolarHBondContact O-N 3.39Å
606C89.9Confident87.8Confident0 Ų045.9 Ų45.90%024%0.242CC..Hα-helixtrans-61.1-42.9178.1-167.70000111.8S602 Y603 H608 L609 L610 F618 L628S602-C606 VanDerWaalsContact O-CB 3.27Å; S602-C606 WeakPolarHBondContact O-CB 3.14Å; S602-C606 PolarHBondContact O-N 3.4Å; Y603-C606 PolarHBondContact O-N 3.45Å; C606-H608 PolarHBondContact O-N 2.88Å; C606-L609 PolarHBondContact O-N 3.32Å; C606-L610 WeakPolarHBondContact O-CG 3.47Å; C606-L610 PolarHBondContact O-N 3.43Å; C606-F618 HydrophobicContact CB-CD2 4.43Å; C606-F618 HydrophobicContact CB-CE2 4.37Å; C606-L628 HydrophobicContact CB-CD1 3.84Å; C606-L628 VanDerWaalsContact SG-CD1 3.56Å
607E88.7Confident88.5Confident78 Ų7838.7 Ų38.736%0.36421%0.209SC..Hα-helixtrans-61.9-41.4175.7-173.7173.1-120.300112.6Y603 V605 L610 S611 Y632Y603-E607 WeakPolarHBondContact O-CB 3.25Å; Y603-E607 PolarHBondContact O-N 3.4Å; V605-E607 VanDerWaalsContact C-N 3.34Å; V605-E607 PolarHBondContact O-N 3.02Å; E607-L610 WeakPolarHBondContact O-CB 3.42Å; E607-L610 PolarHBondContact O-N 3.03Å; E607-S611 PolarHBondContact O-N 3.15Å; E607-Y632 HydrophobicContact CG-CE2 4.44Å; E607-Y632 PolarHBondContact OE1-OH 3.34Å
608H88.5Confident88.9Confident90 Ų9033.6 Ų33.642%0.41719%0.185SC..Hα-helixtrans-63-45174.1-167.878.4000111.8L575 A604 V605 C606 L610 S611 I612L575-H608 HydrophobicContact CD2-CB 4.4Å; A604-H608 WeakPolarHBondContact O-CB 3.45Å; A604-H608 PolarHBondContact O-N 3.16Å; V605-H608 PolarHBondContact O-N 3.16Å; C606-H608 PolarHBondContact O-N 2.88Å; H608-L610 VanDerWaalsContact C-N 3.3Å; H608-L610 PolarHBondContact O-N 3.44Å; H608-S611 WeakPolarHBondContact O-CB 3.43Å; H608-S611 PolarHBondContact O-N 3.2Å; H608-S611 VanDerWaalsContact O-N 3.11Å; H608-S611 PolarHBondContact O-OG 2.99Å; H608-I612 PolarHBondContact O-N 3.26Å
609L88.7Confident89.3Confident0 Ų033.6 Ų33.60%019%0.185CC..Hα-helixtrans-64.4-34178.3-68.1177.3000112.7L575 I584 I586 V605 C606 S611 I612 T616L575-L609 HydrophobicContact CD2-CD2 3.62Å; L575-L609 HydrophobicContact CD2-CG 3.94Å; I584-L609 HydrophobicContact CD1-CD2 3.54Å; I584-L609 HydrophobicContact CG2-CD1 4.28Å; I586-L609 HydrophobicContact CD1-CD1 3.58Å; V605-L609 HydrophobicContact CG1-CD1 4.15Å; V605-L609 VanDerWaalsContact O-CG 3.32Å; V605-L609 WeakPolarHBondContact O-CG 3.32Å; V605-L609 PolarHBondContact O-N 3.39Å; C606-L609 PolarHBondContact O-N 3.32Å; L609-S611 VanDerWaalsContact C-N 3.29Å; L609-S611 PolarHBondContact O-N 2.91Å; L609-I612 HydrophobicContact CD2-CD1 4.28Å; L609-I612 PolarHBondContact O-N 2.89Å; L609-T616 HydrophobicContact CD1-CG2 3.84Å
610L87.4Confident89.4Confident16 Ų1631.8 Ų31.88%0.08418%0.176CC..Hα-helixtrans-58.6-41172.4-81.6163.7000111.6V503 C606 E607 H608 I612 K613 Y632 N634 V635V503-L610 HydrophobicContact CB-CD2 3.89Å; V503-L610 HydrophobicContact CB-CG 4.49Å; V503-L610 HydrophobicContact CG2-CD2 3.34Å; V503-L610 HydrophobicContact CG2-CG 3.79Å; C606-L610 WeakPolarHBondContact O-CG 3.47Å; C606-L610 PolarHBondContact O-N 3.43Å; E607-L610 WeakPolarHBondContact O-CB 3.42Å; E607-L610 PolarHBondContact O-N 3.03Å; H608-L610 VanDerWaalsContact C-N 3.3Å; H608-L610 PolarHBondContact O-N 3.44Å; L610-I612 VanDerWaalsContact C-N 3.3Å; L610-I612 PolarHBondContact O-N 2.93Å; L610-K613 PolarHBondContact O-N 3.45Å; L610-Y632 HydrophobicContact CD1-CD1 4.45Å; L610-Y632 HydrophobicContact CD1-CD2 3.77Å; L610-Y632 HydrophobicContact CD1-CE2 4.26Å; L610-Y632 HydrophobicContact CD1-CG 3.88Å; L610-N634 HydrophobicContact CD2-CB 4.46Å; L610-V635 HydrophobicContact CD1-CG2 3.74Å; L610-V635 HydrophobicContact CD2-CG2 3.67Å; L610-V635 HydrophobicContact CG-CG2 4.27Å
611S85.6Confident89.4Confident83 Ų8332.9 Ų32.958%0.5817%0.17SC*.Hα-helixtrans-65.7-30.6-18079.60000113.6E607 H608 L609 K613E607-S611 PolarHBondContact O-N 3.15Å; H608-S611 WeakPolarHBondContact O-CB 3.43Å; H608-S611 PolarHBondContact O-N 3.2Å; H608-S611 VanDerWaalsContact O-N 3.11Å; H608-S611 PolarHBondContact O-OG 2.99Å; L609-S611 VanDerWaalsContact C-N 3.29Å; L609-S611 PolarHBondContact O-N 2.91Å; S611-K613 VanDerWaalsContact C-N 3.29Å; S611-K613 PolarHBondContact O-N 3Å
612I84.8Confident89.2Confident31 Ų3131.8 Ų31.816%0.15916%0.163CC..Hα-helixtrans-74.5-20.4-179.8-61.9172.2000111.6A578 N579 D580 H608 L609 L610 A614A578-I612 HydrophobicContact CB-CD1 4.3Å; N579-I612 WeakPolarHBondContact O-CG2 3.32Å; D580-I612 WeakPolarHBondContact CA-O 3.41Å; H608-I612 PolarHBondContact O-N 3.26Å; L609-I612 HydrophobicContact CD2-CD1 4.28Å; L609-I612 PolarHBondContact O-N 2.89Å; L610-I612 VanDerWaalsContact C-N 3.3Å; L610-I612 PolarHBondContact O-N 2.93Å; I612-A614 HydrophobicContact CG2-CB 4.17Å; I612-A614 PolarHBondContact O-N 3.07Å
613K85.1Confident88.7Confident142 Ų14235.9 Ų35.962%0.61719%0.185SC*.THydrogen-bonded Turntrans61.821.6-173.6-53.3-178-179.2178.90114.5N502 L610 S611N502-K613 WeakPolarHBondContact ND2-CA 3.34Å; L610-K613 PolarHBondContact O-N 3.45Å; S611-K613 VanDerWaalsContact C-N 3.29Å; S611-K613 PolarHBondContact O-N 3Å
614A89.4Confident88.3Confident0 Ų036 Ų360%019%0.188CC..  trans-65.3158.8170.500000111N502 N579 I584 I612 T616N502-A614 PolarHBondContact ND2-O 2.99Å; N579-A614 WeakPolarHBondContact O-CB 3.39Å; I584-A614 HydrophobicContact CD1-CB 3.71Å; I584-A614 HydrophobicContact CG1-CB 4.36Å; I612-A614 HydrophobicContact CG2-CB 4.17Å; I612-A614 PolarHBondContact O-N 3.07Å; A614-T616 PolarHBondContact O-N 3.45Å
615F94.8Very high88Confident5 Ų533.6 Ų33.62%0.02217%0.167CC..EExtended strand (participates in β ladder)trans-83114.3169.1-77.94.4000108.4L472 I497 N502 R542 S582 L583 I584L472-F615 HydrophobicContact CB-CD2 3.98Å; L472-F615 HydrophobicContact CB-CE2 3.85Å; I497-F615 HydrophobicContact CB-CD2 4.25Å; I497-F615 HydrophobicContact CB-CE2 4.36Å; I497-F615 HydrophobicContact CB-CG 4.49Å; I497-F615 HydrophobicContact CG2-CB 4.05Å; I497-F615 HydrophobicContact CG2-CD1 3.65Å; I497-F615 HydrophobicContact CG2-CD2 3.77Å; I497-F615 HydrophobicContact CG2-CE1 3.96Å; I497-F615 HydrophobicContact CG2-CE2 4.07Å; I497-F615 HydrophobicContact CG2-CG 3.55Å; I497-F615 HydrophobicContact CG2-CZ 4.16Å; N502-F615 HydrophobicContact CB-CD1 4.09Å; N502-F615 HydrophobicContact CB-CE1 4.4Å; N502-F615 CarbonylContact O-C 3.43Å; N502-F615 WeakPolarHBondContact O-CA 3.38Å; R542-F615 HydrophobicContact CB-CD2 4.5Å; R542-F615 HydrophobicContact CB-CE2 3.79Å; R542-F615 HydrophobicContact CB-CZ 4.38Å; R542-F615 HydrophobicContact CG-CE2 4.45Å; R542-F615 VanDerWaalsContact NH2-CG 3.32Å; S582-F615 PolarHBondContact O-N 3.28Å; L583-F615 CarbonylContact C-O 3.48Å; L583-F615 WeakPolarHBondContact CA-O 3.13Å; L583-F615 HydrophobicContact CD1-CB 4.08Å; I584-F615 PolarHBondContact N-O 3.3Å
616T94.8Very high87.7Confident0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-122.8129-173.9-54.20000110.2N502 V503 L504 I584 L609 A614N502-T616 PolarHBondContact O-N 3.21Å; V503-T616 CarbonylContact C-O 3.45Å; V503-T616 VanDerWaalsContact CA-O 3.31Å; V503-T616 WeakPolarHBondContact CA-O 3.23Å; L504-T616 PolarHBondContact N-O 3.37Å; I584-T616 HydrophobicContact CB-CG2 4.27Å; I584-T616 HydrophobicContact CG2-CG2 4.25Å; I584-T616 CarbonylContact O-C 3.58Å; I584-T616 VanDerWaalsContact O-CA 3.31Å; I584-T616 WeakPolarHBondContact O-CA 3.44Å; L609-T616 HydrophobicContact CD1-CG2 3.84Å; A614-T616 PolarHBondContact O-N 3.45Å
617L94.9Very high87.2Confident0 Ų036.5 Ų36.50%018%0.18CC..EExtended strand (participates in β ladder)trans-113.5123.3165.5-60.980.6000108.4I497 L504 I506 Y517 L518 I521 L583 I584 L585 I586I497-L617 HydrophobicContact CD1-CD1 3.32Å; I497-L617 HydrophobicContact CD1-CD2 4.16Å; I497-L617 HydrophobicContact CD1-CG 3.78Å; L504-L617 HydrophobicContact CB-CG 4.39Å; L504-L617 HydrophobicContact CD1-CD2 4.35Å; L504-L617 HydrophobicContact CD1-CG 4.4Å; I506-L617 HydrophobicContact CD1-CB 4.31Å; I506-L617 HydrophobicContact CD1-CD2 4.18Å; Y517-L617 HydrophobicContact CE1-CD2 4.08Å; L518-L617 HydrophobicContact CD2-CB 3.47Å; L518-L617 VanDerWaalsContact CD2-CB 3.47Å; L518-L617 HydrophobicContact CD2-CD2 4Å; L518-L617 HydrophobicContact CD2-CG 4.39Å; I521-L617 HydrophobicContact CD1-CD2 3.24Å; L583-L617 HydrophobicContact CD1-CD1 3.98Å; I584-L617 PolarHBondContact O-N 3.07Å; L585-L617 HydrophobicContact CD2-CB 3.91Å; L585-L617 HydrophobicContact CD2-CD1 3.69Å; L585-L617 HydrophobicContact CD2-CD2 4.32Å; L585-L617 HydrophobicContact CD2-CG 4.18Å; I586-L617 PolarHBondContact N-O 3.44Å
618F94.1Very high86.9Confident0 Ų032.8 Ų32.80%016%0.163CC..EExtended strand (participates in β ladder)trans-122.6106.7-173.3-160.1-58000108.3L504 I505 I506 I586 L589 C606 L625L504-F618 PolarHBondContact O-N 3.48Å; I505-F618 CarbonylContact C-O 3.25Å; I505-F618 WeakPolarHBondContact CA-O 3.5Å; I506-F618 PolarHBondContact N-O 2.94Å; I586-F618 HydrophobicContact CB-CD2 4.13Å; I586-F618 HydrophobicContact CB-CE2 4.36Å; I586-F618 HydrophobicContact CB-CG 4.35Å; I586-F618 HydrophobicContact CD1-CD2 4.02Å; I586-F618 HydrophobicContact CD1-CE2 4.03Å; I586-F618 HydrophobicContact CG2-CD1 4.47Å; I586-F618 HydrophobicContact CG2-CD2 4.17Å; I586-F618 HydrophobicContact CG2-CE1 4.23Å; I586-F618 HydrophobicContact CG2-CE2 3.94Å; I586-F618 HydrophobicContact CG2-CG 4.44Å; I586-F618 HydrophobicContact CG2-CZ 3.98Å; I586-F618 WeakPolarHBondContact O-CA 3.41Å; L589-F618 HydrophobicContact CB-CE1 4.23Å; L589-F618 HydrophobicContact CB-CZ 3.76Å; L589-F618 HydrophobicContact CD2-CE2 4.19Å; L589-F618 HydrophobicContact CD2-CZ 3.9Å; L589-F618 HydrophobicContact CG-CZ 4.39Å; C606-F618 HydrophobicContact CB-CD2 4.43Å; C606-F618 HydrophobicContact CB-CE2 4.37Å; F618-L625 HydrophobicContact CD1-CD2 3.78Å; F618-L625 HydrophobicContact CE1-CD2 3.63Å; F618-L625 HydrophobicContact CG-CD2 4.39Å; F618-L625 HydrophobicContact CZ-CD2 4.1Å
619T91.9Very high86.5Confident0 Ų030 Ų300%015%0.151CC..EExtended strand (participates in β ladder)trans-87.9142.217168.90000109.8I506 K514 L518 I586 D587 E588I506-T619 HydrophobicContact CB-CG2 3.83Å; I506-T619 HydrophobicContact CD1-CG2 4.22Å; I506-T619 HydrophobicContact CG2-CG2 4.08Å; I506-T619 CarbonylContact O-C 3.48Å; I506-T619 WeakPolarHBondContact O-CA 3.34Å; K514-T619 HydrophobicContact CB-CG2 3.89Å; K514-T619 HydrophobicContact CD-CG2 4.49Å; L518-T619 HydrophobicContact CD1-CG2 3.55Å; L518-T619 HydrophobicContact CD2-CG2 3.96Å; L518-T619 HydrophobicContact CG-CG2 3.72Å; I586-T619 PolarHBondContact O-N 2.93Å; I586-T619 PolarHBondContact O-OG1 3.02Å; D587-T619 VanDerWaalsContact CA-OG1 3.22Å; D587-T619 WeakPolarHBondContact CA-OG1 3.3Å; D587-T619 PolarHBondContact OD1-OG1 2.87Å; E588-T619 PolarHBondContact N-O 2.93Å; E588-T619 PolarHBondContact N-OG1 2.76Å
620T88.4Confident85.9Confident0 Ų031.6 Ų31.60%016%0.164CC..  trans-150.6155.3-178.5-171.80000111.9I505 I506 T507 F622 L625I505-T620 HydrophobicContact CG2-CG2 3.95Å; I506-T620 PolarHBondContact O-N 2.96Å; T507-T620 HydrophobicContact CG2-CG2 3.97Å; T620-F622 WeakPolarHBondContact CG2-O 3.42Å; T620-F622 WeakPolarHBondContact OG1-CB 3.25Å; T620-F622 PolarHBondContact OG1-N 3.19Å; T620-L625 HydrophobicContact CG2-CB 4.19Å; T620-L625 HydrophobicContact CG2-CD2 3.93Å
621H83.4Confident85.5Confident64 Ų6435.8 Ų35.830%0.29619%0.186SC..SBendtrans-95.8-12.8163.8-74.7-9.8000112.7N510 K514 E588 R591 L623N510-H621 PolarHBondContact OD1-CE1 3.31Å; N510-H621 PolarHBondContact OD1-NE2 2.99Å; K514-H621 PolarHBondContact NZ-CE1 3.34Å; E588-H621 IonicContact OE1-CE1 3.83Å; E588-H621 PolarHBondContact OE1-CE1 3.07Å; E588-H621 IonicContact OE1-ND1 2.68Å; E588-H621 IonicContact OE1-NE2 3.44Å; E588-H621 PolarHBondContact OE1-NE2 2.79Å; R591-H621 PolarHBondContact NH1-CD2 2.81Å; R591-H621 VanDerWaalsContact NH1-CD2 3.34Å; R591-H621 PolarHBondContact NH1-NE2 3.3Å; R591-H621 VanDerWaalsContact NH1-NE2 3.11Å; R591-H621 PolarHBondContact NH2-CD2 2.73Å; R591-H621 PolarHBondContact NH2-CE1 3.01Å; R591-H621 PolarHBondContact NH2-ND1 3.45Å; R591-H621 PolarHBondContact NH2-NE2 3.28Å; H621-L623 PolarHBondContact O-N 3.08Å
622F83.6Confident85.4Confident28 Ų2835.5 Ų35.512%0.12317%0.173CC..  trans-77.8103.6178.8-56.2-47.7000109.2L589 I599 T620 E624 L625L589-F622 WeakPolarHBondContact O-CE2 3.4Å; I599-F622 HydrophobicContact CD1-CD1 4.11Å; I599-F622 HydrophobicContact CD1-CG 4.44Å; I599-F622 HydrophobicContact CG1-CB 3.98Å; I599-F622 HydrophobicContact CG1-CD1 3.61Å; I599-F622 HydrophobicContact CG1-CD2 3.98Å; I599-F622 HydrophobicContact CG1-CE1 4.03Å; I599-F622 HydrophobicContact CG1-CE2 4.35Å; I599-F622 HydrophobicContact CG1-CG 3.59Å; I599-F622 HydrophobicContact CG1-CZ 4.38Å; T620-F622 WeakPolarHBondContact CG2-O 3.42Å; T620-F622 WeakPolarHBondContact OG1-CB 3.25Å; T620-F622 PolarHBondContact OG1-N 3.19Å; F622-E624 WeakPolarHBondContact CA-OE2 3.42Å; F622-E624 PolarHBondContact O-N 3.4Å; F622-L625 HydrophobicContact CB-CB 4.46Å; F622-L625 WeakPolarHBondContact O-CB 3.36Å; F622-L625 PolarHBondContact O-N 2.93Å
623L80.9Confident85.2Confident86 Ų8636 Ų3645%0.4518%0.176SC..G310 helixtrans-66.2-22.1176.5-62.9178.8000111.4T507 H621 L625 C626T507-L623 HydrophobicContact CG2-CD2 4.36Å; H621-L623 PolarHBondContact O-N 3.08Å; L623-L625 PolarHBondContact O-N 2.86Å; L623-C626 WeakPolarHBondContact O-CB 3.29Å; L623-C626 PolarHBondContact O-N 2.88Å
624E80Confident85.1Confident68 Ų6831 Ų3132%0.31816%0.156SC..G310 helixtrans-60.5-33.3175-61.977.8-170.800111.7I599 F622 C626 H627I599-E624 HydrophobicContact CD1-CB 4.42Å; I599-E624 HydrophobicContact CD1-CG 4.09Å; I599-E624 HydrophobicContact CG2-CB 4.09Å; F622-E624 WeakPolarHBondContact CA-OE2 3.42Å; F622-E624 PolarHBondContact O-N 3.4Å; E624-C626 VanDerWaalsContact C-N 3.25Å; E624-C626 PolarHBondContact O-N 2.83Å; E624-H627 WeakPolarHBondContact CA-ND1 3.44Å; E624-H627 PolarHBondContact O-N 2.92Å; E624-H627 PolarHBondContact O-ND1 2.82Å
625L83.2Confident85.1Confident1 Ų131.1 Ų31.11%0.00516%0.156CC..G310 helixtrans-68.7-27.1-179.7-164.167.6000111.9I505 Y603 F618 T620 F622 L623 H627 L628I505-L625 HydrophobicContact CD1-CG 4.25Å; I505-L625 WeakPolarHBondContact CD1-O 3.47Å; Y603-L625 HydrophobicContact CD2-CD1 4.23Å; F618-L625 HydrophobicContact CD1-CD2 3.78Å; F618-L625 HydrophobicContact CE1-CD2 3.63Å; F618-L625 HydrophobicContact CG-CD2 4.39Å; F618-L625 HydrophobicContact CZ-CD2 4.1Å; T620-L625 HydrophobicContact CG2-CB 4.19Å; T620-L625 HydrophobicContact CG2-CD2 3.93Å; F622-L625 HydrophobicContact CB-CB 4.46Å; F622-L625 WeakPolarHBondContact O-CB 3.36Å; F622-L625 PolarHBondContact O-N 2.93Å; L623-L625 PolarHBondContact O-N 2.86Å; L625-H627 PolarHBondContact O-N 3.32Å; L625-H627 VanDerWaalsContact O-N 3.12Å; L625-L628 HydrophobicContact CD1-CD1 3.49Å; L625-L628 VanDerWaalsContact CD1-CD1 3.49Å; L625-L628 HydrophobicContact CD1-CG 4.34Å; L625-L628 HydrophobicContact CG-CD1 3.89Å; L625-L628 WeakPolarHBondContact O-CB 3.37Å; L625-L628 WeakPolarHBondContact O-CG 3.5Å; L625-L628 PolarHBondContact O-N 2.88Å; L625-L628 VanDerWaalsContact O-N 3.09Å
626C82.9Confident84.8Confident1 Ų131.9 Ų31.91%0.00716%0.16CC..G310 helixtrans-62-21.5178.7-57.80000112.8T507 L623 E624 L628 D629 N637 L665T507-C626 WeakPolarHBondContact CG2-SG 3.46Å; L623-C626 WeakPolarHBondContact O-CB 3.29Å; L623-C626 PolarHBondContact O-N 2.88Å; E624-C626 VanDerWaalsContact C-N 3.25Å; E624-C626 PolarHBondContact O-N 2.83Å; C626-L628 PolarHBondContact O-N 3.42Å; C626-D629 WeakPolarHBondContact O-CB 3.39Å; C626-D629 PolarHBondContact O-N 2.76Å; C626-N637 PolarHBondContact O-ND2 2.6Å; C626-L665 HydrophobicContact CB-CD2 3.34Å
627H80Confident84.6Confident74 Ų7432.2 Ų32.234%0.34316%0.162SC..G310 helixtrans-69.5-11.5176.9-56.9107.9000113.9E624 L625 D629 A630 Q704E624-H627 WeakPolarHBondContact CA-ND1 3.44Å; E624-H627 PolarHBondContact O-N 2.92Å; E624-H627 PolarHBondContact O-ND1 2.82Å; L625-H627 PolarHBondContact O-N 3.32Å; L625-H627 VanDerWaalsContact O-N 3.12Å; H627-D629 PolarHBondContact O-N 2.81Å; H627-D629 VanDerWaalsContact O-N 3.12Å; H627-A630 WeakPolarHBondContact O-CB 3.19Å; H627-A630 PolarHBondContact O-N 3.47Å; H627-Q704 PolarHBondContact CE1-OE1 2.84Å; H627-Q704 PolarHBondContact NE2-OE1 2.88Å
628L82.4Confident84.4Confident0 Ų033 Ų330%017%0.166CC..Hα-helixtrans-55.9-27.1172-81.8171.8000112.3I505 Y603 C606 L625 C626 A630 L631 Y632 V635I505-L628 HydrophobicContact CD1-CB 3.94Å; I505-L628 HydrophobicContact CD1-CD1 3.94Å; Y603-L628 HydrophobicContact CD2-CD1 4.32Å; Y603-L628 HydrophobicContact CD2-CD2 3.79Å; Y603-L628 HydrophobicContact CD2-CG 3.92Å; Y603-L628 HydrophobicContact CE1-CD2 3.99Å; Y603-L628 HydrophobicContact CE2-CD1 4.45Å; Y603-L628 HydrophobicContact CE2-CD2 3.19Å; Y603-L628 HydrophobicContact CE2-CG 3.61Å; Y603-L628 HydrophobicContact CG-CD2 4.41Å; Y603-L628 WeakPolarHBondContact OH-CD2 3.22Å; C606-L628 HydrophobicContact CB-CD1 3.84Å; C606-L628 VanDerWaalsContact SG-CD1 3.56Å; L625-L628 HydrophobicContact CD1-CD1 3.49Å; L625-L628 VanDerWaalsContact CD1-CD1 3.49Å; L625-L628 HydrophobicContact CD1-CG 4.34Å; L625-L628 HydrophobicContact CG-CD1 3.89Å; L625-L628 WeakPolarHBondContact O-CB 3.37Å; L625-L628 WeakPolarHBondContact O-CG 3.5Å; L625-L628 PolarHBondContact O-N 2.88Å; L625-L628 VanDerWaalsContact O-N 3.09Å; C626-L628 PolarHBondContact O-N 3.42Å; L628-A630 PolarHBondContact O-N 3.38Å; L628-L631 PolarHBondContact O-N 3.38Å; L628-L631 VanDerWaalsContact O-N 3.09Å; L628-Y632 HydrophobicContact CD2-CD2 3.75Å; L628-Y632 HydrophobicContact CD2-CE2 3.79Å; L628-Y632 PolarHBondContact O-N 2.91Å; L628-V635 HydrophobicContact CB-CG1 4.25Å; L628-V635 HydrophobicContact CB-CG2 4.45Å
629D80.7Confident84.3Confident31 Ų3134.1 Ų34.117%0.16617%0.171CC..Hα-helixtrans-67.1-22.617997.8-47000113.6C626 H627 V635 N637 R714C626-D629 WeakPolarHBondContact O-CB 3.39Å; C626-D629 PolarHBondContact O-N 2.76Å; H627-D629 PolarHBondContact O-N 2.81Å; H627-D629 VanDerWaalsContact O-N 3.12Å; D629-V635 HydrophobicContact CB-CB 4.44Å; D629-V635 HydrophobicContact CB-CG1 4.04Å; D629-N637 VanDerWaalsContact CB-ND2 3.26Å; D629-N637 WeakPolarHBondContact CB-ND2 3.34Å; D629-N637 PolarHBondContact OD2-ND2 3.47Å; D629-R714 VanDerWaalsContact CB-NH2 3.33Å; D629-R714 PolarHBondContact O-NH1 3.3Å; D629-R714 IonicContact OD2-CZ 3.77Å; D629-R714 IonicContact OD2-NH1 2.86Å; D629-R714 PolarHBondContact OD2-NH1 2.79Å; D629-R714 IonicContact OD2-NH2 2.76Å; D629-R714 PolarHBondContact OD2-NH2 3.14Å
630A76.3Confident84.1Confident34 Ų3434.2 Ų34.228%0.28117%0.171SC..Hα-helixtrans-82.7-21.5173.500000112.3H627 L628 M710H627-A630 WeakPolarHBondContact O-CB 3.19Å; H627-A630 PolarHBondContact O-N 3.47Å; L628-A630 PolarHBondContact O-N 3.38Å; A630-M710 WeakPolarHBondContact O-CE 3.49Å
631L79.1Confident83.9Confident103 Ų10337.1 Ų37.154%0.53919%0.185SC..Hα-helixtrans-97.8-33.5-177.6-63.2171.9000111.9Y603 L628Y603-L631 HydrophobicContact CE2-CD1 4.47Å; Y603-L631 WeakPolarHBondContact OH-CD1 3.39Å; L628-L631 PolarHBondContact O-N 3.38Å; L628-L631 VanDerWaalsContact O-N 3.09Å
632Y82.9Confident83.8Confident77 Ų7735.3 Ų35.330%0.30218%0.178SC..  trans-125.6118.6-174.4-64.1-71.1000111.5E607 L610 L628 N634 V635E607-Y632 HydrophobicContact CG-CE2 4.44Å; E607-Y632 PolarHBondContact OE1-OH 3.34Å; L610-Y632 HydrophobicContact CD1-CD1 4.45Å; L610-Y632 HydrophobicContact CD1-CD2 3.77Å; L610-Y632 HydrophobicContact CD1-CE2 4.26Å; L610-Y632 HydrophobicContact CD1-CG 3.88Å; L628-Y632 HydrophobicContact CD2-CD2 3.75Å; L628-Y632 HydrophobicContact CD2-CE2 3.79Å; L628-Y632 PolarHBondContact O-N 2.91Å; Y632-N634 PolarHBondContact O-N 2.9Å; Y632-N634 VanDerWaalsContact O-N 3.15Å; Y632-V635 PolarHBondContact O-N 3.47Å
633L79.5Confident83.5Confident42 Ų4239 Ų3922%0.2220%0.196CC..THydrogen-bonded Turntrans-63.7-22.1-178.5-58.3177.5000113.7V635 M710 R714 Y717L633-V635 VanDerWaalsContact C-N 3.35Å; L633-M710 HydrophobicContact CD2-CE 4.49Å; L633-R714 HydrophobicContact CD2-CB 3.79Å; L633-R714 HydrophobicContact CD2-CG 4.12Å; L633-Y717 HydrophobicContact CB-CD1 3.88Å; L633-Y717 HydrophobicContact CB-CE1 4.29Å; L633-Y717 HydrophobicContact CB-CG 4.27Å; L633-Y717 HydrophobicContact CD1-CG 4.18Å
634N84.3Confident83Confident38 Ų3838.1 Ų38.120%0.20319%0.189CC..THydrogen-bonded Turntrans-88.80.2-177.5-58.90.6000113.9G500 S501 N502 V503 L610 Y632 Y717G500-N634 WeakPolarHBondContact O-CA 3.49Å; S501-N634 CarbonylContact C-O 3.54Å; S501-N634 VanDerWaalsContact CA-O 3.28Å; S501-N634 WeakPolarHBondContact CA-O 3.21Å; N502-N634 PolarHBondContact N-O 3.02Å; N502-N634 VanDerWaalsContact OD1-CB 3.25Å; N502-N634 WeakPolarHBondContact OD1-CB 3.21Å; V503-N634 PolarHBondContact N-O 3.1Å; L610-N634 HydrophobicContact CD2-CB 4.46Å; Y632-N634 PolarHBondContact O-N 2.9Å; Y632-N634 VanDerWaalsContact O-N 3.15Å; N634-Y717 WeakPolarHBondContact OD1-CE1 3.2Å; N634-Y717 PolarHBondContact OD1-OH 3.21Å
635V88.4Confident82.3Confident1 Ų138.2 Ų38.21%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-95.4133.1177.3176.20000109.1V503 I505 L610 L628 D629 Y632 L633 R714V503-V635 HydrophobicContact CB-CG2 4.31Å; V503-V635 WeakPolarHBondContact O-CA 3.35Å; I505-V635 HydrophobicContact CD1-CG1 3.5Å; I505-V635 VanDerWaalsContact CD1-CG1 3.5Å; I505-V635 HydrophobicContact CG1-CG1 3.91Å; L610-V635 HydrophobicContact CD1-CG2 3.74Å; L610-V635 HydrophobicContact CD2-CG2 3.67Å; L610-V635 HydrophobicContact CG-CG2 4.27Å; L628-V635 HydrophobicContact CB-CG1 4.25Å; L628-V635 HydrophobicContact CB-CG2 4.45Å; D629-V635 HydrophobicContact CB-CB 4.44Å; D629-V635 HydrophobicContact CB-CG1 4.04Å; Y632-V635 PolarHBondContact O-N 3.47Å; L633-V635 VanDerWaalsContact C-N 3.35Å; V635-R714 PolarHBondContact O-NH2 3.31Å
636E90Very high81.1Confident22 Ų2246 Ų4610%0.10323%0.228CC..EExtended strand (participates in β ladder)trans-124.5133173.8-167.8172.9-171.200110.4V503 L504 I505 R663V503-E636 PolarHBondContact O-N 2.98Å; L504-E636 WeakPolarHBondContact CA-O 3.36Å; L504-E636 HydrophobicContact CD2-CB 3.76Å; L504-E636 HydrophobicContact CD2-CG 4.47Å; I505-E636 PolarHBondContact N-O 2.52Å; E636-R663 IonicContact OE1-CZ 2.67Å; E636-R663 IonicContact OE1-NE 2.95Å; E636-R663 IonicContact OE1-NH1 3.23Å; E636-R663 PolarHBondContact OE1-NH1 3.09Å; E636-R663 IonicContact OE1-NH2 2.83Å
637N90.3Very high79.7Confident7 Ų749.8 Ų49.84%0.03725%0.248CC..EExtended strand (participates in β ladder)trans-92.8132.9179.1-74.8-37.1000110.9I505 C626 D629 G664I505-N637 WeakPolarHBondContact CB-OD1 3.5Å; C626-N637 PolarHBondContact O-ND2 2.6Å; D629-N637 VanDerWaalsContact CB-ND2 3.26Å; D629-N637 WeakPolarHBondContact CB-ND2 3.34Å; D629-N637 PolarHBondContact OD2-ND2 3.47Å; N637-G664 PolarHBondContact O-N 3.32Å
638M90.9Very high78.3Confident17 Ų1753.1 Ų53.18%0.08427%0.274CS..EExtended strand (participates in β ladder)trans-130.7151.7176.5-56.6-68.5-6900109.7I505 I506 T507 L661 S662 R663I505-M638 PolarHBondContact O-N 3.1Å; I506-M638 WeakPolarHBondContact CA-O 3.12Å; I506-M638 HydrophobicContact CG1-CB 4.36Å; T507-M638 PolarHBondContact N-O 3.03Å; T507-M638 PolarHBondContact OG1-O 3.19Å; M638-L661 HydrophobicContact CB-CD1 4.04Å; M638-L661 HydrophobicContact CB-CD2 4.25Å; M638-L661 HydrophobicContact CB-CG 4.21Å; M638-L661 HydrophobicContact CE-CD2 3.55Å; M638-L661 HydrophobicContact CE-CG 3.79Å; M638-L661 HydrophobicContact CG-CD2 4.49Å; M638-S662 WeakPolarHBondContact CA-O 3.4Å; M638-R663 HydrophobicContact CE-CG 3.87Å; M638-R663 HydrophobicContact SD-CB 4.17Å; M638-R663 HydrophobicContact SD-CG 3.53Å; M638-R663 VanDerWaalsContact SD-CG 3.53Å
639H90.8Very high76.9Confident22 Ų2257.8 Ų57.810%0.10231%0.306CS..EExtended strand (participates in β ladder)trans-142.6158.1173.771.6-85000113.3T507 S662 G664 L665 T666T507-H639 WeakPolarHBondContact O-CA 3.42Å; H639-S662 PolarHBondContact CE1-OG 2.97Å; H639-S662 PolarHBondContact N-O 3.36Å; H639-S662 PolarHBondContact ND1-OG 3.49Å; H639-S662 PolarHBondContact NE2-OG 2.85Å; H639-S662 PolarHBondContact O-N 3.06Å; H639-S662 PolarHBondContact O-OG 3.04Å; H639-G664 PolarHBondContact ND1-O 2.91Å; H639-L665 PolarHBondContact CE1-O 3.49Å; H639-L665 PolarHBondContact ND1-O 3.45Å; H639-T666 HydrophobicContact CB-CG2 4.32Å; H639-T666 WeakPolarHBondContact CB-OG1 3.5Å
640F88.6Confident75.4Confident3 Ų365.9 Ų65.91%0.01334%0.335CS..EExtended strand (participates in β ladder)trans-86.5128.9172.1-81-87.5000111.5I506 T507 S512 K514 Y517 K660 L661I506-F640 HydrophobicContact CG2-CD2 4.13Å; I506-F640 HydrophobicContact CG2-CE2 3.83Å; T507-F640 PolarHBondContact O-N 3.36Å; T507-F640 VanDerWaalsContact O-N 3.1Å; S512-F640 WeakPolarHBondContact O-CD1 3.49Å; K514-F640 HydrophobicContact CB-CE2 4.28Å; K514-F640 HydrophobicContact CG-CD2 3.72Å; K514-F640 HydrophobicContact CG-CE2 3.78Å; Y517-F640 HydrophobicContact CG-CZ 4.05Å; F640-K660 WeakPolarHBondContact CA-O 3.26Å; F640-L661 HydrophobicContact CD2-CD1 3.79Å; F640-L661 HydrophobicContact CE1-CB 4.4Å; F640-L661 HydrophobicContact CE1-CD1 4.36Å; F640-L661 HydrophobicContact CE2-CD1 3.6Å; F640-L661 HydrophobicContact CG-CD1 4.26Å; F640-L661 HydrophobicContact CZ-CD1 3.91Å
641E84.6Confident74.2Confident61 Ų6172.3 Ų72.329%0.28536%0.364SS..EExtended strand (participates in β ladder)trans-71.9141.2178.7-69.3178.5-170.200111.9T658 K660 S662E641-T658 WeakPolarHBondContact CB-OG1 3.46Å; E641-T658 PolarHBondContact O-OG1 3.37Å; E641-K660 PolarHBondContact N-O 3.03Å; E641-S662 VanDerWaalsContact OE1-CB 3.28Å; E641-S662 WeakPolarHBondContact OE1-CB 3.26Å
642V81.3Confident73Confident25 Ų2572.9 Ų72.915%0.15236%0.362CS..EExtended strand (participates in β ladder)trans-128.4133179.2-176.80000108.6P509 I655P509-V642 HydrophobicContact CG-CG2 3.57Å; V642-I655 HydrophobicContact CG1-CG2 3.39Å
643Q76.2Confident71.9Confident107 Ų10773.4 Ų73.450%0.537%0.371SS..EExtended strand (participates in β ladder)trans-110.8140.6175.9-74.3179.911.400111L656 T658Q643-L656 PolarHBondContact N-O 3.36Å; Q643-L656 PolarHBondContact O-N 3.04Å; Q643-T658 HydrophobicContact CB-CG2 4.1Å; Q643-T658 HydrophobicContact CG-CG2 3.55Å
644H70Confident71.1Confident67 Ų6773.6 Ų73.631%0.3138%0.378SS..EExtended strand (participates in β ladder)trans-101.6117.7175-63.1-80.4000109.8E668H644-E668 IonicContact CD2-OE1 3.86Å; H644-E668 PolarHBondContact CD2-OE1 2.97Å; H644-E668 IonicContact CE1-OE1 3.98Å; H644-E668 IonicContact CE1-OE2 2.77Å; H644-E668 VanDerWaalsContact NE2-CD 3.27Å; H644-E668 IonicContact NE2-OE1 3.88Å; H644-E668 PolarHBondContact NE2-OE1 3.21Å; H644-E668 IonicContact NE2-OE2 3.38Å
645V66.6Low70.4Confident70 Ų7073.3 Ų73.342%0.42438%0.376SS..EExtended strand (participates in β ladder)trans-102.1118.1175.9-176.60000108.8N647 A654 L656V645-N647 PolarHBondContact O-N 3.41Å; V645-A654 PolarHBondContact N-O 2.84Å; V645-A654 PolarHBondContact O-N 2.82Å; V645-L656 HydrophobicContact CG2-CB 4.18Å; V645-L656 HydrophobicContact CG2-CD1 4.45Å
646K58.3Low69.8Low163 Ų16377.5 Ų77.571%0.70940%0.398SS*.EExtended strand (participates in β ladder)trans-76.7109.7173.1-75.7-175176.2-174.90109.7T648 D653K646-T648 PolarHBondContact O-N 3.25Å; K646-D653 VanDerWaalsContact CG-OD1 3.27Å; K646-D653 WeakPolarHBondContact CG-OD1 3.21Å
647N53.2Low69.3Low82 Ų8279 Ų7944%0.43940%0.403SS..EExtended strand (participates in β ladder)trans-82.1107.9177.4-150.2-17.8000109.9V645 S649 R650 N651 K652V645-N647 PolarHBondContact O-N 3.41Å; N647-S649 PolarHBondContact O-N 2.91Å; N647-S649 PolarHBondContact OD1-OG 3.32Å; N647-R650 PolarHBondContact O-N 2.65Å; N647-N651 PolarHBondContact O-N 2.87Å; N647-K652 PolarHBondContact N-O 2.84Å
648T50.3Low68.9Low144 Ų14479.8 Ų79.888%0.88341%0.408SS*.THydrogen-bonded Turntrans-61.2-13.6-173.426.20000114.8K646K646-T648 PolarHBondContact O-N 3.25Å
649S52.4Low68.7Low97 Ų9783.9 Ų83.968%0.67842%0.423SS*.THydrogen-bonded Turntrans-97.2-11.7-18050.30000114.7N647N647-S649 PolarHBondContact O-N 2.91Å; N647-S649 PolarHBondContact OD1-OG 3.32Å
650R48.7Very low68.5Low202 Ų20287.9 Ų87.976%0.76244%0.44SS*.THydrogen-bonded Turntrans-135.82.5-174.9-79.1-169175.8-178.7-0.5117N647 K652N647-R650 PolarHBondContact O-N 2.65Å; R650-K652 PolarHBondContact O-N 3.38Å; R650-K652 VanDerWaalsContact O-N 3.07Å
651N52.1Low68.6Low168 Ų16888.6 Ų88.690%0.89844%0.444SS*.THydrogen-bonded Turntrans48.436.2-176.8-96.20.7000112.5N647N647-N651 PolarHBondContact O-N 2.87Å
652K53.2Low68.8Low115 Ų11586.7 Ų86.750%0.544%0.438SS..EExtended strand (participates in β ladder)trans-120.5128.1175.3-73.1-168.5174.9-1600108.9N647 R650 A654N647-K652 PolarHBondContact N-O 2.84Å; R650-K652 PolarHBondContact O-N 3.38Å; R650-K652 VanDerWaalsContact O-N 3.07Å; K652-A654 PolarHBondContact O-N 3.31Å
653D59.7Low69Low89 Ų8991.6 Ų91.648%0.47645%0.454SS..EExtended strand (participates in β ladder)trans-72.4112.3169.9-71.3-15.8000107.5K646K646-D653 VanDerWaalsContact CG-OD1 3.27Å; K646-D653 WeakPolarHBondContact CG-OD1 3.21Å
654A63.6Low69.3Low45 Ų4588 Ų8837%0.37245%0.445SS..EExtended strand (participates in β ladder)trans-91.9128.2174.300000109V645 K652V645-A654 PolarHBondContact N-O 2.84Å; V645-A654 PolarHBondContact O-N 2.82Å; K652-A654 PolarHBondContact O-N 3.31Å
655I69.2Low69.7Low33 Ų3389.6 Ų89.617%0.16946%0.455CS..EExtended strand (participates in β ladder)trans-81.7119.6176.5-57.8-179.9000108.1V642 Y657 Y671 K674V642-I655 HydrophobicContact CG1-CG2 3.39Å; I655-Y657 HydrophobicContact CG2-CE1 4.4Å; I655-Y671 HydrophobicContact CD1-CD2 4.4Å; I655-Y671 HydrophobicContact CD1-CE2 3.73Å; I655-Y671 HydrophobicContact CG2-CE2 3.95Å; I655-K674 HydrophobicContact CD1-CB 4.01Å
656L76.2Confident69.9Low88 Ų8887.5 Ų87.546%0.46144%0.443SS..EExtended strand (participates in β ladder)trans-108.8119.8173.3-169140.2000109.3Q643 V645 T658Q643-L656 PolarHBondContact N-O 3.36Å; Q643-L656 PolarHBondContact O-N 3.04Å; V645-L656 HydrophobicContact CG2-CB 4.18Å; V645-L656 HydrophobicContact CG2-CD1 4.45Å; L656-T658 PolarHBondContact O-N 3.36Å
657Y79.4Confident70.1Confident55 Ų5588.4 Ų88.422%0.21645%0.45CS..EExtended strand (participates in β ladder)trans-77.8119.4176.2-53.7-79.9000109.1P509 I655 Y659 Y671P509-Y657 HydrophobicContact CB-CE1 4.42Å; P509-Y657 HydrophobicContact CG-CD1 4.39Å; P509-Y657 HydrophobicContact CG-CE1 4.16Å; I655-Y657 HydrophobicContact CG2-CE1 4.4Å; Y657-Y659 VanDerWaalsContact C-N 3.32Å; Y657-Y659 WeakPolarHBondContact O-CD2 3.44Å; Y657-Y659 WeakPolarHBondContact O-CE2 3.41Å; Y657-Y671 HydrophobicContact CE1-CE2 4.46Å; Y657-Y671 WeakPolarHBondContact CE1-OH 3.36Å; Y657-Y671 PolarHBondContact OH-OH 3.17Å
658T81.3Confident70.6Confident22 Ų2287 Ų8714%0.13544%0.44CS..EExtended strand (participates in β ladder)trans-80.7-18178.667.40000112.6E641 Q643 L656 K660E641-T658 WeakPolarHBondContact CB-OG1 3.46Å; E641-T658 PolarHBondContact O-OG1 3.37Å; Q643-T658 HydrophobicContact CB-CG2 4.1Å; Q643-T658 HydrophobicContact CG-CG2 3.55Å; L656-T658 PolarHBondContact O-N 3.36Å; T658-K660 PolarHBondContact O-N 2.55Å; T658-K660 VanDerWaalsContact O-N 3.11Å; T658-K660 PolarHBondContact OG1-N 3.48Å
659Y86.4Confident71.1Confident104 Ų10486 Ų8641%0.40842%0.424SS..EExtended strand (participates in β ladder)trans57.515.9-173-51-70.3000114.6V491 N493 M511 Y657V491-Y659 HydrophobicContact CG2-CD2 4.21Å; N493-Y659 PolarHBondContact ND2-O 3.1Å; N493-Y659 PolarHBondContact OD1-O 3.08Å; M511-Y659 WeakPolarHBondContact O-CE1 3.22Å; Y657-Y659 VanDerWaalsContact C-N 3.32Å; Y657-Y659 WeakPolarHBondContact O-CD2 3.44Å; Y657-Y659 WeakPolarHBondContact O-CE2 3.41Å
660K87.8Confident71.6Confident105 Ų10584.2 Ų84.246%0.45741%0.407SS..EExtended strand (participates in β ladder)trans-96.6130.5-179.2-169.9-179.9174.8-162.90110.9N493 F640 E641 T658N493-K660 WeakPolarHBondContact OD1-CA 3.31Å; F640-K660 WeakPolarHBondContact CA-O 3.26Å; E641-K660 PolarHBondContact N-O 3.03Å; T658-K660 PolarHBondContact O-N 2.55Å; T658-K660 VanDerWaalsContact O-N 3.11Å; T658-K660 PolarHBondContact OG1-N 3.48Å
661L90.4Very high72.4Confident18 Ų1876.3 Ų76.39%0.09438%0.377CS..EExtended strand (participates in β ladder)trans-89.4130176.9-167.778.2000110.9N493 I506 Y517 M638 F640N493-L661 WeakPolarHBondContact OD1-CB 3.42Å; N493-L661 PolarHBondContact OD1-N 3.08Å; I506-L661 HydrophobicContact CG2-CD1 4.09Å; Y517-L661 HydrophobicContact CE1-CD2 3.85Å; Y517-L661 HydrophobicContact CE2-CD2 3.89Å; Y517-L661 VanDerWaalsContact CZ-CD2 3.43Å; Y517-L661 WeakPolarHBondContact OH-CD2 3.32Å; M638-L661 HydrophobicContact CB-CD1 4.04Å; M638-L661 HydrophobicContact CB-CD2 4.25Å; M638-L661 HydrophobicContact CB-CG 4.21Å; M638-L661 HydrophobicContact CE-CD2 3.55Å; M638-L661 HydrophobicContact CE-CG 3.79Å; M638-L661 HydrophobicContact CG-CD2 4.49Å; F640-L661 HydrophobicContact CD2-CD1 3.79Å; F640-L661 HydrophobicContact CE1-CB 4.4Å; F640-L661 HydrophobicContact CE1-CD1 4.36Å; F640-L661 HydrophobicContact CE2-CD1 3.6Å; F640-L661 HydrophobicContact CG-CD1 4.26Å; F640-L661 HydrophobicContact CZ-CD1 3.91Å
662S88.1Confident73.3Confident21 Ų2170.9 Ų70.915%0.14736%0.36CS..EExtended strand (participates in β ladder)trans-126.1162177.467.80000111.4M638 H639 E641M638-S662 WeakPolarHBondContact CA-O 3.4Å; H639-S662 PolarHBondContact CE1-OG 2.97Å; H639-S662 PolarHBondContact N-O 3.36Å; H639-S662 PolarHBondContact ND1-OG 3.49Å; H639-S662 PolarHBondContact NE2-OG 2.85Å; H639-S662 PolarHBondContact O-N 3.06Å; H639-S662 PolarHBondContact O-OG 3.04Å; E641-S662 VanDerWaalsContact OE1-CB 3.28Å; E641-S662 WeakPolarHBondContact OE1-CB 3.26Å
663R85.8Confident74.2Confident129 Ų12966.9 Ų66.949%0.48734%0.344SS..EExtended strand (participates in β ladder)trans-84.5144.6-179.5-72.2175.2176.2-121.6-13.6110.4E636 M638E636-R663 IonicContact OE1-CZ 2.67Å; E636-R663 IonicContact OE1-NE 2.95Å; E636-R663 IonicContact OE1-NH1 3.23Å; E636-R663 PolarHBondContact OE1-NH1 3.09Å; E636-R663 IonicContact OE1-NH2 2.83Å; M638-R663 HydrophobicContact CE-CG 3.87Å; M638-R663 HydrophobicContact SD-CB 4.17Å; M638-R663 HydrophobicContact SD-CG 3.53Å; M638-R663 VanDerWaalsContact SD-CG 3.53Å
664G82.9Confident74.7Confident31 Ų3165.7 Ų65.732%0.3234%0.335SS..SBendtrans102.6-172.1175.200000113.5N637 H639N637-G664 PolarHBondContact O-N 3.32Å; H639-G664 PolarHBondContact ND1-O 2.91Å
665L77.8Confident75Confident101 Ų10165.3 Ų65.353%0.52933%0.331SS..  trans-80.8146.6179.3-65161.8000110.5C626 H639 E667C626-L665 HydrophobicContact CB-CD2 3.34Å; H639-L665 PolarHBondContact CE1-O 3.49Å; H639-L665 PolarHBondContact ND1-O 3.45Å; L665-E667 PolarHBondContact O-N 3.27Å
666T71.3Confident75.1Confident26 Ų2664.8 Ų64.816%0.1633%0.332CS..  trans-62.9128.2174.2-31.50000110.7T507 H639 E668T507-T666 PolarHBondContact OG1-OG1 3.3Å; H639-T666 HydrophobicContact CB-CG2 4.32Å; H639-T666 WeakPolarHBondContact CB-OG1 3.5Å; T666-E668 VanDerWaalsContact C-N 3.27Å; T666-E668 HydrophobicContact CG2-CB 4.06Å
667E62.9Low74.9Confident182 Ų18264.6 Ų64.685%0.8533%0.329SS*.SBendtrans-72.8-24.4173.6-61.5-173.3166.300112.2L665 K669L665-E667 PolarHBondContact O-N 3.27Å; E667-K669 PolarHBondContact O-N 2.98Å; E667-K669 VanDerWaalsContact O-N 3.13Å
668E62.4Low74.3Confident52 Ų5264.8 Ų64.824%0.24334%0.342CS..  trans-79.692.6-177.1-77.2-68.6155.100112.2H644 T666 K674H644-E668 IonicContact CD2-OE1 3.86Å; H644-E668 PolarHBondContact CD2-OE1 2.97Å; H644-E668 IonicContact CE1-OE1 3.98Å; H644-E668 IonicContact CE1-OE2 2.77Å; H644-E668 VanDerWaalsContact NE2-CD 3.27Å; H644-E668 IonicContact NE2-OE1 3.88Å; H644-E668 PolarHBondContact NE2-OE1 3.21Å; H644-E668 IonicContact NE2-OE2 3.38Å; T666-E668 VanDerWaalsContact C-N 3.27Å; T666-E668 HydrophobicContact CG2-CB 4.06Å; E668-K674 IonicContact OE1-NZ 3.49Å; E668-K674 PolarHBondContact OE1-NZ 3.26Å; E668-K674 IonicContact OE2-NZ 3.99Å; E668-K674 PolarHBondContact OE2-NZ 2.94Å
669K60.9Low73.6Confident124 Ų12466 Ų6654%0.53935%0.351SS..  trans-81.3146167.3-63.1-177.7-179.7-177.80110.5E667E667-K669 PolarHBondContact O-N 2.98Å; E667-K669 VanDerWaalsContact O-N 3.13Å
670N63.2Low73Confident59 Ų5967.1 Ų67.132%0.31637%0.374SS..  trans65.235.9174.9-53.1-18.2000115.3G672 L673 K674 T693N670-G672 VanDerWaalsContact C-N 3.28Å; N670-G672 PolarHBondContact O-N 3.27Å; N670-L673 HydrophobicContact CB-CB 4.46Å; N670-L673 HydrophobicContact CB-CD1 4.09Å; N670-L673 HydrophobicContact CB-CG 4.41Å; N670-L673 WeakPolarHBondContact O-CB 3.44Å; N670-L673 PolarHBondContact O-N 3.47Å; N670-L673 VanDerWaalsContact O-N 3.11Å; N670-K674 PolarHBondContact O-N 2.88Å; N670-T693 VanDerWaalsContact OD1-CG2 3.3Å; N670-T693 WeakPolarHBondContact OD1-CG2 2.95Å
671Y66.5Low72.5Confident36 Ų3666.2 Ų66.214%0.14137%0.374CS..Hα-helixtrans-51.1-44.1176.6178-94.2000113.8P509 I655 Y657 L673 K674 A675P509-Y671 HydrophobicContact CB-CD1 3.37Å; P509-Y671 HydrophobicContact CB-CD2 3.59Å; P509-Y671 HydrophobicContact CB-CE1 3.24Å; P509-Y671 HydrophobicContact CB-CE2 3.44Å; P509-Y671 VanDerWaalsContact CB-CE2 3.44Å; P509-Y671 HydrophobicContact CB-CG 3.55Å; P509-Y671 HydrophobicContact CG-CD2 4.01Å; P509-Y671 HydrophobicContact CG-CE1 4.41Å; P509-Y671 HydrophobicContact CG-CE2 3.78Å; P509-Y671 HydrophobicContact CG-CG 4.41Å; I655-Y671 HydrophobicContact CD1-CD2 4.4Å; I655-Y671 HydrophobicContact CD1-CE2 3.73Å; I655-Y671 HydrophobicContact CG2-CE2 3.95Å; Y657-Y671 HydrophobicContact CE1-CE2 4.46Å; Y657-Y671 WeakPolarHBondContact CE1-OH 3.36Å; Y657-Y671 PolarHBondContact OH-OH 3.17Å; Y671-L673 PolarHBondContact O-N 3.49Å; Y671-K674 PolarHBondContact O-N 2.88Å; Y671-A675 HydrophobicContact CE1-CB 4.01Å; Y671-A675 PolarHBondContact O-N 3.17Å
672G69.5Low72.1Confident53 Ų5368.6 Ų68.655%0.54639%0.39SS..Hα-helixtrans-57.8-35.9-179.300000113N670 A676N670-G672 VanDerWaalsContact C-N 3.28Å; N670-G672 PolarHBondContact O-N 3.27Å; G672-A676 WeakPolarHBondContact O-CB 3.34Å; G672-A676 PolarHBondContact O-N 3.34Å
673L73.2Confident71.7Confident31 Ų3172 Ų7216%0.16242%0.415CS..Hα-helixtrans-69.7-39.9175.4-62.4-177.7000111.6N670 Y671 A676 E677 A689 R690 T693N670-L673 HydrophobicContact CB-CB 4.46Å; N670-L673 HydrophobicContact CB-CD1 4.09Å; N670-L673 HydrophobicContact CB-CG 4.41Å; N670-L673 WeakPolarHBondContact O-CB 3.44Å; N670-L673 PolarHBondContact O-N 3.47Å; N670-L673 VanDerWaalsContact O-N 3.11Å; Y671-L673 PolarHBondContact O-N 3.49Å; L673-A676 CarbonylContact O-C 3.55Å; L673-A676 WeakPolarHBondContact O-CA 3.44Å; L673-A676 WeakPolarHBondContact O-CB 3.34Å; L673-A676 PolarHBondContact O-N 3.09Å; L673-E677 WeakPolarHBondContact O-CG 3.27Å; L673-E677 PolarHBondContact O-N 3.01Å; L673-A689 HydrophobicContact CD2-CB 3.6Å; L673-R690 HydrophobicContact CD1-CB 4.01Å; L673-R690 HydrophobicContact CD1-CG 4.34Å; L673-T693 HydrophobicContact CD1-CG2 4.48Å
674K69.4Low71.6Confident65 Ų6569.2 Ų69.228%0.28341%0.414SS..Hα-helixtrans-66.9-37.4175.8-64.1-174.3177.1-177.70112.3I655 E668 N670 Y671 A676 E677 A678I655-K674 HydrophobicContact CD1-CB 4.01Å; E668-K674 IonicContact OE1-NZ 3.49Å; E668-K674 PolarHBondContact OE1-NZ 3.26Å; E668-K674 IonicContact OE2-NZ 3.99Å; E668-K674 PolarHBondContact OE2-NZ 2.94Å; N670-K674 PolarHBondContact O-N 2.88Å; Y671-K674 PolarHBondContact O-N 2.88Å; K674-A676 VanDerWaalsContact C-N 3.31Å; K674-E677 WeakPolarHBondContact O-CB 3.44Å; K674-E677 PolarHBondContact O-N 3.02Å; K674-A678 PolarHBondContact O-N 3.04Å
675A69.7Low71.6Confident36 Ų3672.1 Ų72.130%0.29842%0.422SS..Hα-helixtrans-64.6-37.5171.600000111.5Y671 A678 S679Y671-A675 HydrophobicContact CE1-CB 4.01Å; Y671-A675 PolarHBondContact O-N 3.17Å; A675-A678 PolarHBondContact O-N 3.34Å; A675-S679 PolarHBondContact O-N 3.12Å
676A72.3Confident71.8Confident22 Ų2267.7 Ų67.718%0.18240%0.399CS..Hα-helixtrans-64.6-39.4172.300000112.3G672 L673 K674 A678 S679 L681G672-A676 WeakPolarHBondContact O-CB 3.34Å; G672-A676 PolarHBondContact O-N 3.34Å; L673-A676 CarbonylContact O-C 3.55Å; L673-A676 WeakPolarHBondContact O-CA 3.44Å; L673-A676 WeakPolarHBondContact O-CB 3.34Å; L673-A676 PolarHBondContact O-N 3.09Å; K674-A676 VanDerWaalsContact C-N 3.31Å; A676-A678 VanDerWaalsContact C-N 3.32Å; A676-A678 PolarHBondContact O-N 3.12Å; A676-S679 WeakPolarHBondContact O-CB 3.42Å; A676-S679 PolarHBondContact O-N 2.99Å; A676-S679 VanDerWaalsContact O-N 3.15Å; A676-S679 PolarHBondContact O-OG 3.25Å; A676-L681 HydrophobicContact CB-CD1 3.66Å
677E72.4Confident72.3Confident85 Ų8571.1 Ų71.140%0.39742%0.416SS..Hα-helixtrans-63-36.9172.5-70.2176.6177.400112.7L673 K674 S679 V686 R690L673-E677 WeakPolarHBondContact O-CG 3.27Å; L673-E677 PolarHBondContact O-N 3.01Å; K674-E677 WeakPolarHBondContact O-CB 3.44Å; K674-E677 PolarHBondContact O-N 3.02Å; E677-S679 VanDerWaalsContact C-N 3.28Å; E677-V686 HydrophobicContact CG-CB 4.14Å; E677-V686 HydrophobicContact CG-CG1 3.25Å; E677-V686 HydrophobicContact CG-CG2 4.22Å; E677-R690 IonicContact OE1-NH1 2.68Å
678A66.4Low73.3Confident58 Ų5867.2 Ų67.248%0.47940%0.401SS..Hα-helixtrans-70.4-26.8175.100000112.3K674 A675 A676K674-A678 PolarHBondContact O-N 3.04Å; A675-A678 PolarHBondContact O-N 3.34Å; A676-A678 VanDerWaalsContact C-N 3.32Å; A676-A678 PolarHBondContact O-N 3.12Å
679S67.1Low74.2Confident48 Ų4866.2 Ų66.234%0.33640%0.401SS..THydrogen-bonded Turntrans-76.1169.7172.186.60000112.1A675 A676 E677 L681A675-S679 PolarHBondContact O-N 3.12Å; A676-S679 WeakPolarHBondContact O-CB 3.42Å; A676-S679 PolarHBondContact O-N 2.99Å; A676-S679 VanDerWaalsContact O-N 3.15Å; A676-S679 PolarHBondContact O-OG 3.25Å; E677-S679 VanDerWaalsContact C-N 3.28Å; S679-L681 PolarHBondContact O-N 3.31Å; S679-L681 WeakPolarHBondContact OG-CD1 3.44Å; S679-L681 WeakPolarHBondContact OG-CG 3.33Å
680S73.6Confident75.1Confident128 Ų12866.3 Ų66.390%0.89540%0.398SS*.THydrogen-bonded Turntrans-76.324.7179.5-56.90000114.1
681L75.9Confident76Confident85 Ų8568.1 Ų68.145%0.44541%0.408SS..  trans-72.6141.9179.4-84.1162.3000111.3A676 S679 S683 V686A676-L681 HydrophobicContact CB-CD1 3.66Å; S679-L681 PolarHBondContact O-N 3.31Å; S679-L681 WeakPolarHBondContact OG-CD1 3.44Å; S679-L681 WeakPolarHBondContact OG-CG 3.33Å; L681-S683 PolarHBondContact O-N 2.99Å; L681-V686 HydrophobicContact CB-CG2 4.4Å
682P83.7Confident76.6Confident68 Ų6871 Ų7144%0.44243%0.425SS..  trans-57.8134.4175.2-24.633.3000112.3S684 I685 V686P682-S684 PolarHBondContact O-N 3.42Å; P682-I685 HydrophobicContact CB-CD1 4.26Å; P682-I685 HydrophobicContact CB-CG1 4.31Å; P682-I685 HydrophobicContact CG-CD1 4.02Å; P682-I685 PolarHBondContact O-N 3.33Å; P682-I685 VanDerWaalsContact O-N 3.1Å; P682-V686 PolarHBondContact O-N 3.39Å
683S78.4Confident76.9Confident94 Ų9470.2 Ų70.266%0.65741%0.409SS*.Hα-helixtrans-60.7-28.9-178.549.90000113.8L681 I685 V686 L687L681-S683 PolarHBondContact O-N 2.99Å; S683-I685 VanDerWaalsContact C-N 3.34Å; S683-I685 PolarHBondContact O-N 3.45Å; S683-V686 PolarHBondContact O-N 3.19Å; S683-L687 VanDerWaalsContact O-CG 3.3Å; S683-L687 WeakPolarHBondContact O-CG 3.44Å; S683-L687 PolarHBondContact O-N 3.2Å
684S83Confident77.1Confident69 Ų6971.6 Ų71.648%0.48342%0.419SS..Hα-helixtrans-60.9-42.7175.256.30000112P682 V686 L687 D688P682-S684 PolarHBondContact O-N 3.42Å; S684-V686 PolarHBondContact O-N 2.83Å; S684-L687 PolarHBondContact O-N 2.96Å; S684-D688 VanDerWaalsContact O-CG 3.24Å; S684-D688 PolarHBondContact O-N 3.03Å
685I83.9Confident77.4Confident93 Ų9374.6 Ų74.648%0.47743%0.434SS..Hα-helixtrans-68-39.1-179-61.8178.4000110.7P682 S683 A689P682-I685 HydrophobicContact CB-CD1 4.26Å; P682-I685 HydrophobicContact CB-CG1 4.31Å; P682-I685 HydrophobicContact CG-CD1 4.02Å; P682-I685 PolarHBondContact O-N 3.33Å; P682-I685 VanDerWaalsContact O-N 3.1Å; S683-I685 VanDerWaalsContact C-N 3.34Å; S683-I685 PolarHBondContact O-N 3.45Å; I685-A689 VanDerWaalsContact O-CB 3.31Å; I685-A689 WeakPolarHBondContact O-CB 3.44Å; I685-A689 PolarHBondContact O-N 3.35Å
686V82.3Confident77.4Confident7 Ų777 Ų774%0.04244%0.441CS..Hα-helixtrans-67.8-41.4178.7-173.30000111E677 L681 P682 S683 S684 A689 R690E677-V686 HydrophobicContact CG-CB 4.14Å; E677-V686 HydrophobicContact CG-CG1 3.25Å; E677-V686 HydrophobicContact CG-CG2 4.22Å; L681-V686 HydrophobicContact CB-CG2 4.4Å; P682-V686 PolarHBondContact O-N 3.39Å; S683-V686 PolarHBondContact O-N 3.19Å; S684-V686 PolarHBondContact O-N 2.83Å; V686-A689 PolarHBondContact O-N 2.88Å; V686-R690 WeakPolarHBondContact O-CB 3.37Å; V686-R690 PolarHBondContact O-N 3.11Å
687L81.9Confident77.1Confident99 Ų9978 Ų7852%0.51845%0.445SS..Hα-helixtrans-61-47.3176.2-72170.8000111.3S683 S684 A689 R690 D691S683-L687 VanDerWaalsContact O-CG 3.3Å; S683-L687 WeakPolarHBondContact O-CG 3.44Å; S683-L687 PolarHBondContact O-N 3.2Å; S684-L687 PolarHBondContact O-N 2.96Å; L687-A689 VanDerWaalsContact C-N 3.35Å; L687-A689 PolarHBondContact O-N 3Å; L687-R690 WeakPolarHBondContact O-CB 3.31Å; L687-R690 PolarHBondContact O-N 2.99Å; L687-R690 VanDerWaalsContact O-N 3.15Å; L687-D691 PolarHBondContact O-N 2.73Å
688D82.8Confident76.6Confident100 Ų10083 Ų8354%0.53546%0.461SS..Hα-helixtrans-60-44.8176.9-66.5-18.2000111.6S684 R690 D691 I692S684-D688 VanDerWaalsContact O-CG 3.24Å; S684-D688 PolarHBondContact O-N 3.03Å; D688-R690 VanDerWaalsContact C-N 3.29Å; D688-R690 PolarHBondContact O-N 2.83Å; D688-D691 PolarHBondContact O-N 2.74Å; D688-I692 WeakPolarHBondContact O-CG1 3.44Å; D688-I692 PolarHBondContact O-N 3.08Å
689A81.2Confident76.3Confident31 Ų3187.6 Ų87.626%0.25647%0.472SS..Hα-helixtrans-63.8-34.7177.800000112.4L673 I685 V686 L687 T693L673-A689 HydrophobicContact CD2-CB 3.6Å; I685-A689 VanDerWaalsContact O-CB 3.31Å; I685-A689 WeakPolarHBondContact O-CB 3.44Å; I685-A689 PolarHBondContact O-N 3.35Å; V686-A689 PolarHBondContact O-N 2.88Å; L687-A689 VanDerWaalsContact C-N 3.35Å; L687-A689 PolarHBondContact O-N 3Å; A689-T693 WeakPolarHBondContact O-CB 3.27Å; A689-T693 PolarHBondContact O-N 3.4Å; A689-T693 PolarHBondContact O-OG1 3.13Å
690R80.8Confident75.9Confident125 Ų12589 Ų8947%0.47248%0.475SS..Hα-helixtrans-66.6-44.5175.6-169.5176.4-178.5158.9-1.9111.4L673 E677 V686 L687 D688 T693 T694L673-R690 HydrophobicContact CD1-CB 4.01Å; L673-R690 HydrophobicContact CD1-CG 4.34Å; E677-R690 IonicContact OE1-NH1 2.68Å; V686-R690 WeakPolarHBondContact O-CB 3.37Å; V686-R690 PolarHBondContact O-N 3.11Å; L687-R690 WeakPolarHBondContact O-CB 3.31Å; L687-R690 PolarHBondContact O-N 2.99Å; L687-R690 VanDerWaalsContact O-N 3.15Å; D688-R690 VanDerWaalsContact C-N 3.29Å; D688-R690 PolarHBondContact O-N 2.83Å; R690-T693 PolarHBondContact O-N 3.2Å; R690-T694 WeakPolarHBondContact O-CG2 3.47Å; R690-T694 PolarHBondContact O-N 3.11Å
691D81.1Confident74.8Confident97 Ų9787.9 Ų87.952%0.51946%0.458SS..Hα-helixtrans-62.2-46.9178.1-74.7-11.8000111.1L687 D688 T693 T694 Q695L687-D691 PolarHBondContact O-N 2.73Å; D688-D691 PolarHBondContact O-N 2.74Å; D691-T693 VanDerWaalsContact C-N 3.34Å; D691-T693 PolarHBondContact O-N 3.33Å; D691-T694 PolarHBondContact O-N 3.35Å; D691-T694 PolarHBondContact O-OG1 2.65Å; D691-Q695 WeakPolarHBondContact O-CG 2.87Å; D691-Q695 PolarHBondContact O-N 3.08Å; D691-Q695 VanDerWaalsContact O-N 3.14Å
692I80.3Confident73.5Confident96 Ų9691.8 Ų91.849%0.49247%0.474SS..Hα-helixtrans-58.6-45.6175.1-66.1166.9000111D688 T694 Q695 I696D688-I692 WeakPolarHBondContact O-CG1 3.44Å; D688-I692 PolarHBondContact O-N 3.08Å; I692-T694 VanDerWaalsContact C-N 3.32Å; I692-T694 PolarHBondContact O-N 3.44Å; I692-Q695 WeakPolarHBondContact O-CB 3.35Å; I692-Q695 PolarHBondContact O-N 3Å; I692-Q695 VanDerWaalsContact O-N 3.16Å; I692-I696 HydrophobicContact CG2-CD1 3.81Å; I692-I696 HydrophobicContact CG2-CG1 4.49Å; I692-I696 WeakPolarHBondContact O-CG1 3.29Å; I692-I696 PolarHBondContact O-N 3.4Å
693T75.9Confident71.9Confident37 Ų3795.8 Ų95.823%0.22749%0.492CS..Hα-helixtrans-62.8-38.8-179.6-57.30000111.9N670 L673 A689 R690 D691 Q695 I696 T697N670-T693 VanDerWaalsContact OD1-CG2 3.3Å; N670-T693 WeakPolarHBondContact OD1-CG2 2.95Å; L673-T693 HydrophobicContact CD1-CG2 4.48Å; A689-T693 WeakPolarHBondContact O-CB 3.27Å; A689-T693 PolarHBondContact O-N 3.4Å; A689-T693 PolarHBondContact O-OG1 3.13Å; R690-T693 PolarHBondContact O-N 3.2Å; D691-T693 VanDerWaalsContact C-N 3.34Å; D691-T693 PolarHBondContact O-N 3.33Å; T693-Q695 VanDerWaalsContact C-N 3.33Å; T693-Q695 PolarHBondContact O-N 3.34Å; T693-I696 PolarHBondContact O-N 2.63Å; T693-T697 WeakPolarHBondContact O-CB 3.5Å; T693-T697 PolarHBondContact O-N 2.66Å; T693-T697 PolarHBondContact O-OG1 3.38Å
694T77.1Confident70.6Confident61 Ų6196 Ų9637%0.37448%0.482SS..Hα-helixtrans-67.1-33.4176.662.70000113R690 D691 I692 R698R690-T694 WeakPolarHBondContact O-CG2 3.47Å; R690-T694 PolarHBondContact O-N 3.11Å; D691-T694 PolarHBondContact O-N 3.35Å; D691-T694 PolarHBondContact O-OG1 2.65Å; I692-T694 VanDerWaalsContact C-N 3.32Å; I692-T694 PolarHBondContact O-N 3.44Å; T694-R698 PolarHBondContact O-N 2.77Å; T694-R698 VanDerWaalsContact O-N 3.11Å
695Q74.6Confident69Low127 Ų127104.5 Ų104.559%0.59350%0.504SS*.Hα-helixtrans-66.9-46.5174.5-69.8179.3-2.400111.4D691 I692 T693 R698 Q699D691-Q695 WeakPolarHBondContact O-CG 2.87Å; D691-Q695 PolarHBondContact O-N 3.08Å; D691-Q695 VanDerWaalsContact O-N 3.14Å; I692-Q695 WeakPolarHBondContact O-CB 3.35Å; I692-Q695 PolarHBondContact O-N 3Å; I692-Q695 VanDerWaalsContact O-N 3.16Å; T693-Q695 VanDerWaalsContact C-N 3.33Å; T693-Q695 PolarHBondContact O-N 3.34Å; Q695-R698 PolarHBondContact O-N 3.49Å; Q695-Q699 PolarHBondContact O-N 3.35Å
696I70.1Confident67.5Low86 Ų86103.6 Ų103.644%0.44151%0.506SS..Hα-helixtrans-62.4-45.1177.5-64.8169.2000110.7I692 T693 R698 Q699 I700I692-I696 HydrophobicContact CG2-CD1 3.81Å; I692-I696 HydrophobicContact CG2-CG1 4.49Å; I692-I696 WeakPolarHBondContact O-CG1 3.29Å; I692-I696 PolarHBondContact O-N 3.4Å; T693-I696 PolarHBondContact O-N 2.63Å; I696-R698 VanDerWaalsContact C-N 3.31Å; I696-R698 PolarHBondContact O-N 2.99Å; I696-Q699 PolarHBondContact O-N 3.07Å; I696-Q699 VanDerWaalsContact O-N 3.13Å; I696-I700 HydrophobicContact CG2-CD1 3.92Å; I696-I700 WeakPolarHBondContact O-CG1 3.31Å; I696-I700 PolarHBondContact O-N 3.03Å
697T66.1Low66.3Low44 Ų44106 Ų10627%0.2752%0.523SS..Hα-helixtrans-63.2-36.2-180-51.30000112.1T693 Q699 I700 L701T693-T697 WeakPolarHBondContact O-CB 3.5Å; T693-T697 PolarHBondContact O-N 2.66Å; T693-T697 PolarHBondContact O-OG1 3.38Å; T697-Q699 VanDerWaalsContact C-N 3.3Å; T697-Q699 PolarHBondContact O-N 3.24Å; T697-I700 PolarHBondContact O-N 3.4Å; T697-L701 HydrophobicContact CG2-CD1 3.76Å; T697-L701 HydrophobicContact CG2-CG 4.22Å; T697-L701 WeakPolarHBondContact O-CB 3.32Å; T697-L701 WeakPolarHBondContact O-CG 3.35Å; T697-L701 PolarHBondContact O-N 2.88Å
698R62.7Low65.4Low190 Ų190106.2 Ų106.272%0.71753%0.531SS*.Hα-helixtrans-63.6-34175.8-98.9-176.1-177.1149.42.1112.9T694 Q695 I696T694-R698 PolarHBondContact O-N 2.77Å; T694-R698 VanDerWaalsContact O-N 3.11Å; Q695-R698 PolarHBondContact O-N 3.49Å; I696-R698 VanDerWaalsContact C-N 3.31Å; I696-R698 PolarHBondContact O-N 2.99Å
699Q59.7Low64.5Low155 Ų155108.1 Ų108.172%0.72454%0.536SS*.Hα-helixtrans-72.3-34.5177.2-71.1179.8-21.900111.8Q695 I696 T697Q695-Q699 PolarHBondContact O-N 3.35Å; I696-Q699 PolarHBondContact O-N 3.07Å; I696-Q699 VanDerWaalsContact O-N 3.13Å; T697-Q699 VanDerWaalsContact C-N 3.3Å; T697-Q699 PolarHBondContact O-N 3.24Å
700I57.8Low63.7Low77 Ų77109.1 Ų109.140%0.39554%0.536SS..Hα-helixtrans-76.1-36.7-179.3-63168.9000112I696 T697 Q702I696-I700 HydrophobicContact CG2-CD1 3.92Å; I696-I700 WeakPolarHBondContact O-CG1 3.31Å; I696-I700 PolarHBondContact O-N 3.03Å; T697-I700 PolarHBondContact O-N 3.4Å; I700-Q702 VanDerWaalsContact C-N 3.25Å; I700-Q702 PolarHBondContact O-N 3.33Å
701L52.3Low63Low104 Ų104106.1 Ų106.155%0.54553%0.53SS..G310 helixtrans-70.8-7.8-175.7-77.6168.5000115.6T697 N703T697-L701 HydrophobicContact CG2-CD1 3.76Å; T697-L701 HydrophobicContact CG2-CG 4.22Å; T697-L701 WeakPolarHBondContact O-CB 3.32Å; T697-L701 WeakPolarHBondContact O-CG 3.35Å; T697-L701 PolarHBondContact O-N 2.88Å; L701-N703 VanDerWaalsContact C-N 3.29Å; L701-N703 PolarHBondContact O-N 2.89Å
702Q48.1Very low62.4Low168 Ų168108.9 Ų108.979%0.78553%0.533SS*.G310 helixtrans-76.5-9-177.7-79.3-175.3-1200114.7I700I700-Q702 VanDerWaalsContact C-N 3.25Å; I700-Q702 PolarHBondContact O-N 3.33Å
703N49.3Very low62Low152 Ų152108.9 Ų108.981%0.81353%0.531SS*.G310 helixtrans-111.63.5-172.9-87-13.1000116.7L701L701-N703 VanDerWaalsContact C-N 3.29Å; L701-N703 PolarHBondContact O-N 2.89Å
704Q51.1Low61.7Low97 Ų97109 Ų10945%0.45353%0.527SS..  trans-139.8107.7-162.4-69.5172.1-12.700113.8H627H627-Q704 PolarHBondContact CE1-OE1 2.84Å; H627-Q704 PolarHBondContact NE2-OE1 2.88Å
705R50.9Low61.5Low249 Ų249106.6 Ų106.694%0.9451%0.513SS*.  trans-135.8131.4158.2-77.2-173.3176.4-179.2-1.1108.7
706S50.6Low61.7Low74 Ų74103.8 Ų103.852%0.51750%0.504SS..  trans-63.6143166.944.40000110.1
707S58.5Low62.1Low58 Ų58103.1 Ų103.141%0.40650%0.497SS..  trans-81.6135.5174.764.10000110E709 M710S707-E709 PolarHBondContact O-N 3.43Å; S707-M710 PolarHBondContact O-N 3.28Å; S707-M710 WeakPolarHBondContact OG-CG 3.43Å
708P62.4Low62.6Low103 Ų103102.7 Ų102.767%0.66949%0.492SS*.Hα-helixtrans-53.3-18.9174.5-31.335.2000115.8
709E64.5Low63.4Low139 Ų13995.6 Ų95.665%0.6547%0.468SS*.Hα-helixtrans-75.6-33.5177.9-165169.6-169.300112.8S707 R712 Q713S707-E709 PolarHBondContact O-N 3.43Å; E709-R712 WeakPolarHBondContact O-CB 3.48Å; E709-R712 PolarHBondContact O-N 3.08Å; E709-Q713 PolarHBondContact O-N 3.18Å; E709-Q713 VanDerWaalsContact O-N 3.16Å
710M64.3Low64.2Low53 Ų5390.4 Ų90.426%0.26145%0.452SS..Hα-helixtrans-70.7-39.3177.3-72.9-63.3-7000111.9A630 L633 S707 R712 Q713 R714A630-M710 WeakPolarHBondContact O-CE 3.49Å; L633-M710 HydrophobicContact CD2-CE 4.49Å; S707-M710 PolarHBondContact O-N 3.28Å; S707-M710 WeakPolarHBondContact OG-CG 3.43Å; M710-R712 PolarHBondContact O-N 2.88Å; M710-Q713 PolarHBondContact O-N 2.85Å; M710-Q713 VanDerWaalsContact O-N 3.16Å; M710-R714 WeakPolarHBondContact O-CB 3.41Å; M710-R714 PolarHBondContact O-N 3.35Å
711D65.7Low65.1Low62 Ų6287.9 Ų87.933%0.33244%0.44SS..Hα-helixtrans-59.6-37.6174.8-67-28.3000111.3R714 A715D711-R714 PolarHBondContact O-N 3Å; D711-A715 PolarHBondContact O-N 2.99Å
712R69.3Low66.3Low155 Ų15585 Ų8559%0.58542%0.422SS*.Hα-helixtrans-65.4-46174.8-176.1-178.9176.1-179.4-0112E709 M710 R714 A715 V716 F752E709-R712 WeakPolarHBondContact O-CB 3.48Å; E709-R712 PolarHBondContact O-N 3.08Å; M710-R712 PolarHBondContact O-N 2.88Å; R712-R714 VanDerWaalsContact C-N 3.28Å; R712-R714 PolarHBondContact O-N 3.23Å; R712-A715 PolarHBondContact O-N 2.93Å; R712-V716 WeakPolarHBondContact O-CG2 3.46Å; R712-V716 PolarHBondContact O-N 3.49Å; R712-V716 VanDerWaalsContact O-N 3.15Å; R712-F752 HydrophobicContact CG-CZ 3.97Å
713Q71.3Confident67.9Low96 Ų9680.5 Ų80.545%0.44940%0.402SS..Hα-helixtrans-63.2-36.7178-70-178500111.6E709 M710 V716 Y717E709-Q713 PolarHBondContact O-N 3.18Å; E709-Q713 VanDerWaalsContact O-N 3.16Å; M710-Q713 PolarHBondContact O-N 2.85Å; M710-Q713 VanDerWaalsContact O-N 3.16Å; Q713-V716 PolarHBondContact O-N 3.49Å; Q713-Y717 WeakPolarHBondContact O-CB 3.45Å; Q713-Y717 PolarHBondContact O-N 3.05Å
714R70Confident69.4Low40 Ų4076.4 Ų76.415%0.15138%0.383CS..Hα-helixtrans-65.9-46.4176.7-162.7176-165.6-179.82.3113.1D629 L633 V635 M710 D711 R712 V716 Y717 H718D629-R714 VanDerWaalsContact CB-NH2 3.33Å; D629-R714 PolarHBondContact O-NH1 3.3Å; D629-R714 IonicContact OD2-CZ 3.77Å; D629-R714 IonicContact OD2-NH1 2.86Å; D629-R714 PolarHBondContact OD2-NH1 2.79Å; D629-R714 IonicContact OD2-NH2 2.76Å; D629-R714 PolarHBondContact OD2-NH2 3.14Å; L633-R714 HydrophobicContact CD2-CB 3.79Å; L633-R714 HydrophobicContact CD2-CG 4.12Å; V635-R714 PolarHBondContact O-NH2 3.31Å; M710-R714 WeakPolarHBondContact O-CB 3.41Å; M710-R714 PolarHBondContact O-N 3.35Å; D711-R714 PolarHBondContact O-N 3Å; R712-R714 VanDerWaalsContact C-N 3.28Å; R712-R714 PolarHBondContact O-N 3.23Å; R714-V716 VanDerWaalsContact C-N 3.27Å; R714-V716 PolarHBondContact O-N 3.23Å; R714-Y717 PolarHBondContact O-N 3.41Å; R714-H718 PolarHBondContact O-CD2 3.2Å; R714-H718 VanDerWaalsContact O-CD2 3.27Å; R714-H718 PolarHBondContact O-N 3.29Å
715A72.1Confident70.5Confident9 Ų973.3 Ų73.37%0.07437%0.369CS..Hα-helixtrans-58.9-41174.900000111.6D711 R712 L719 Y748 D751D711-A715 PolarHBondContact O-N 2.99Å; R712-A715 PolarHBondContact O-N 2.93Å; A715-L719 WeakPolarHBondContact O-CB 3.5Å; A715-L719 PolarHBondContact O-N 3.11Å; A715-Y748 HydrophobicContact CB-CD2 4.04Å; A715-Y748 HydrophobicContact CB-CE2 3.9Å; A715-Y748 WeakPolarHBondContact O-CD2 3.31Å; A715-D751 HydrophobicContact CB-CB 4.34Å
716V79.7Confident71.8Confident69 Ų6962.3 Ų62.342%0.41833%0.33SS..Hα-helixtrans-65.9-44.7176.9172.90000111.4R712 Q713 R714 L719 A720 Y748R712-V716 WeakPolarHBondContact O-CG2 3.46Å; R712-V716 PolarHBondContact O-N 3.49Å; R712-V716 VanDerWaalsContact O-N 3.15Å; Q713-V716 PolarHBondContact O-N 3.49Å; R714-V716 VanDerWaalsContact C-N 3.27Å; R714-V716 PolarHBondContact O-N 3.23Å; V716-L719 PolarHBondContact O-N 3.37Å; V716-A720 WeakPolarHBondContact O-CB 3.5Å; V716-A720 PolarHBondContact O-N 2.86Å; V716-Y748 HydrophobicContact CG2-CE2 3.97Å; V716-Y748 VanDerWaalsContact CG2-OH 3.31Å; V716-Y748 WeakPolarHBondContact CG2-OH 3.43Å
717Y77.4Confident72.9Confident71 Ų7162.9 Ų62.928%0.27834%0.34SS..Hα-helixtrans-65.6-43.4-179.5-176.5-104.3000112.6G500 L633 N634 Q713 R714 L719 A720 T721G500-Y717 WeakPolarHBondContact O-CE1 3.25Å; L633-Y717 HydrophobicContact CB-CD1 3.88Å; L633-Y717 HydrophobicContact CB-CE1 4.29Å; L633-Y717 HydrophobicContact CB-CG 4.27Å; L633-Y717 HydrophobicContact CD1-CG 4.18Å; N634-Y717 WeakPolarHBondContact OD1-CE1 3.2Å; N634-Y717 PolarHBondContact OD1-OH 3.21Å; Q713-Y717 WeakPolarHBondContact O-CB 3.45Å; Q713-Y717 PolarHBondContact O-N 3.05Å; R714-Y717 PolarHBondContact O-N 3.41Å; Y717-L719 VanDerWaalsContact C-N 3.33Å; Y717-L719 PolarHBondContact O-N 3.26Å; Y717-A720 PolarHBondContact O-N 3.02Å; Y717-T721 HydrophobicContact CD1-CG2 4.32Å; Y717-T721 HydrophobicContact CD2-CG2 4.43Å; Y717-T721 HydrophobicContact CE1-CG2 3.95Å; Y717-T721 HydrophobicContact CE2-CG2 4.05Å; Y717-T721 WeakPolarHBondContact O-CB 3.45Å; Y717-T721 WeakPolarHBondContact O-CG2 3.35Å; Y717-T721 PolarHBondContact O-N 2.98Å; Y717-T721 PolarHBondContact O-OG1 2.75Å
718H76.5Confident73.9Confident36 Ų3667.5 Ų67.517%0.16735%0.348CS..Hα-helixtrans-64.3-37.3174.3-73-45.9000112.6R714 T721 R722R714-H718 PolarHBondContact O-CD2 3.2Å; R714-H718 VanDerWaalsContact O-CD2 3.27Å; R714-H718 PolarHBondContact O-N 3.29Å; H718-T721 WeakPolarHBondContact CA-OG1 3.5Å; H718-T721 PolarHBondContact O-OG1 3.06Å; H718-T721 VanDerWaalsContact O-OG1 3.08Å; H718-R722 WeakPolarHBondContact O-CB 3.46Å; H718-R722 VanDerWaalsContact O-CG 3.29Å; H718-R722 WeakPolarHBondContact O-CG 3.44Å; H718-R722 PolarHBondContact O-N 3.32Å; H718-R722 VanDerWaalsContact O-N 3.08Å
719L79.4Confident74.6Confident40 Ų4065.6 Ų65.621%0.20933%0.333CS..Hα-helixtrans-64.6-48.9174.3-177.967.8000110.7A715 V716 Y717 T721 R722 L723 L744 Y748A715-L719 WeakPolarHBondContact O-CB 3.5Å; A715-L719 PolarHBondContact O-N 3.11Å; V716-L719 PolarHBondContact O-N 3.37Å; Y717-L719 VanDerWaalsContact C-N 3.33Å; Y717-L719 PolarHBondContact O-N 3.26Å; L719-T721 PolarHBondContact O-N 3Å; L719-R722 PolarHBondContact O-N 3.23Å; L719-L723 HydrophobicContact CD1-CD1 4.22Å; L719-L723 HydrophobicContact CD1-CG 4.35Å; L719-L723 HydrophobicContact CG-CD1 3.91Å; L719-L723 HydrophobicContact CG-CG 4.43Å; L719-L723 WeakPolarHBondContact O-CB 3.41Å; L719-L723 VanDerWaalsContact O-CG 3.23Å; L719-L723 WeakPolarHBondContact O-CG 3.35Å; L719-L723 PolarHBondContact O-N 3.31Å; L719-L744 HydrophobicContact CD1-CB 4.34Å; L719-Y748 HydrophobicContact CB-CD2 3.97Å; L719-Y748 HydrophobicContact CB-CE2 4.45Å; L719-Y748 HydrophobicContact CD2-CD1 4.19Å; L719-Y748 HydrophobicContact CD2-CD2 3.79Å; L719-Y748 HydrophobicContact CD2-CE1 4.48Å; L719-Y748 HydrophobicContact CD2-CE2 4.1Å; L719-Y748 HydrophobicContact CD2-CG 3.83Å; L719-Y748 HydrophobicContact CG-CD2 4.38Å
720A77.9Confident75.1Confident47 Ų4761.1 Ų61.139%0.38832%0.317SS..Hα-helixtrans-60.1-46.7-179.500000111.9V716 Y717 L723 V724V716-A720 WeakPolarHBondContact O-CB 3.5Å; V716-A720 PolarHBondContact O-N 2.86Å; Y717-A720 PolarHBondContact O-N 3.02Å; A720-L723 PolarHBondContact O-N 3.18Å; A720-V724 VanDerWaalsContact O-CG2 3.31Å; A720-V724 WeakPolarHBondContact O-CG2 3.46Å; A720-V724 PolarHBondContact O-N 2.99Å
721T76.6Confident75.2Confident23 Ų2367 Ų6714%0.14134%0.344CS..Hα-helixtrans-63.8-45.4179.248.90000111.9Y717 H718 L719 L723 V724 Q725Y717-T721 HydrophobicContact CD1-CG2 4.32Å; Y717-T721 HydrophobicContact CD2-CG2 4.43Å; Y717-T721 HydrophobicContact CE1-CG2 3.95Å; Y717-T721 HydrophobicContact CE2-CG2 4.05Å; Y717-T721 WeakPolarHBondContact O-CB 3.45Å; Y717-T721 WeakPolarHBondContact O-CG2 3.35Å; Y717-T721 PolarHBondContact O-N 2.98Å; Y717-T721 PolarHBondContact O-OG1 2.75Å; H718-T721 WeakPolarHBondContact CA-OG1 3.5Å; H718-T721 PolarHBondContact O-OG1 3.06Å; H718-T721 VanDerWaalsContact O-OG1 3.08Å; L719-T721 PolarHBondContact O-N 3Å; T721-L723 VanDerWaalsContact C-N 3.33Å; T721-L723 PolarHBondContact O-N 3Å; T721-V724 PolarHBondContact O-N 3.15Å; T721-Q725 WeakPolarHBondContact O-CB 3.3Å; T721-Q725 VanDerWaalsContact O-CG 3.24Å; T721-Q725 WeakPolarHBondContact O-CG 3.48Å; T721-Q725 PolarHBondContact O-N 3.48Å
722R77.9Confident75.5Confident44 Ų4468 Ų6817%0.16635%0.348CS..Hα-helixtrans-64.3-35175.4-72-176.1-176.7161.72.3113.1H718 L719 Q725 A726 L744H718-R722 WeakPolarHBondContact O-CB 3.46Å; H718-R722 VanDerWaalsContact O-CG 3.29Å; H718-R722 WeakPolarHBondContact O-CG 3.44Å; H718-R722 PolarHBondContact O-N 3.32Å; H718-R722 VanDerWaalsContact O-N 3.08Å; L719-R722 PolarHBondContact O-N 3.23Å; R722-Q725 PolarHBondContact O-N 2.62Å; R722-A726 WeakPolarHBondContact O-CB 3.23Å; R722-A726 PolarHBondContact O-N 3.27Å; R722-L744 HydrophobicContact CB-CD1 4.46Å; R722-L744 HydrophobicContact CB-CD2 3.98Å; R722-L744 VanDerWaalsContact CD-CD2 3.5Å; R722-L744 HydrophobicContact CG-CD2 4.41Å
723L81.2Confident75.8Confident73 Ų7367.1 Ų67.138%0.38235%0.351SS..Hα-helixtrans-67.9-43.1174.8-73.3172.6000111.8L719 A720 T721 Q725 A726 A727 L741 L744L719-L723 HydrophobicContact CD1-CD1 4.22Å; L719-L723 HydrophobicContact CD1-CG 4.35Å; L719-L723 HydrophobicContact CG-CD1 3.91Å; L719-L723 HydrophobicContact CG-CG 4.43Å; L719-L723 WeakPolarHBondContact O-CB 3.41Å; L719-L723 VanDerWaalsContact O-CG 3.23Å; L719-L723 WeakPolarHBondContact O-CG 3.35Å; L719-L723 PolarHBondContact O-N 3.31Å; A720-L723 PolarHBondContact O-N 3.18Å; T721-L723 VanDerWaalsContact C-N 3.33Å; T721-L723 PolarHBondContact O-N 3Å; L723-Q725 VanDerWaalsContact C-N 3.3Å; L723-Q725 PolarHBondContact O-N 3.29Å; L723-A726 PolarHBondContact O-N 2.88Å; L723-A727 WeakPolarHBondContact O-CB 3.49Å; L723-A727 PolarHBondContact O-N 3.39Å; L723-L741 HydrophobicContact CD2-CD2 3.47Å; L723-L741 VanDerWaalsContact CD2-CD2 3.47Å; L723-L744 HydrophobicContact CD2-CD1 4.46Å
724V79.9Confident76.1Confident67 Ų6767 Ų6741%0.40636%0.358SS..Hα-helixtrans-62.6-39.7174.9171.50000110.9A720 T721 A727 R728A720-V724 VanDerWaalsContact O-CG2 3.31Å; A720-V724 WeakPolarHBondContact O-CG2 3.46Å; A720-V724 PolarHBondContact O-N 2.99Å; T721-V724 PolarHBondContact O-N 3.15Å; V724-A727 PolarHBondContact O-N 2.95Å; V724-R728 HydrophobicContact CG1-CG 4.46Å; V724-R728 WeakPolarHBondContact O-CG 3.38Å; V724-R728 PolarHBondContact O-N 2.84Å
725Q75.1Confident76.3Confident32 Ų3270.6 Ų70.615%0.1538%0.381CS..Hα-helixtrans-65-45.7175.4-74.1179.5-30.300112.9Y496 T721 R722 L723 A727 R728 N729Y496-Q725 PolarHBondContact OH-OE1 2.88Å; T721-Q725 WeakPolarHBondContact O-CB 3.3Å; T721-Q725 VanDerWaalsContact O-CG 3.24Å; T721-Q725 WeakPolarHBondContact O-CG 3.48Å; T721-Q725 PolarHBondContact O-N 3.48Å; R722-Q725 PolarHBondContact O-N 2.62Å; L723-Q725 VanDerWaalsContact C-N 3.3Å; L723-Q725 PolarHBondContact O-N 3.29Å; Q725-A727 PolarHBondContact O-N 3.37Å; Q725-R728 PolarHBondContact O-N 3.03Å; Q725-N729 PolarHBondContact O-N 3.21Å
726A77.1Confident76.6Confident17 Ų1778.6 Ų78.614%0.1441%0.409CS..Hα-helixtrans-60.6-35.6174.500000111.2R722 L723 S730 Y740R722-A726 WeakPolarHBondContact O-CB 3.23Å; R722-A726 PolarHBondContact O-N 3.27Å; L723-A726 PolarHBondContact O-N 2.88Å; A726-S730 WeakPolarHBondContact O-CB 3.35Å; A726-S730 PolarHBondContact O-N 3.02Å; A726-Y740 HydrophobicContact CB-CE1 4.15Å
727A75.1Confident76.7Confident87 Ų8777.6 Ų77.672%0.71940%0.401SS*.Hα-helixtrans-70.3-37.9176.200000113.3L723 V724 Q725L723-A727 WeakPolarHBondContact O-CB 3.49Å; L723-A727 PolarHBondContact O-N 3.39Å; V724-A727 PolarHBondContact O-N 2.95Å; Q725-A727 PolarHBondContact O-N 3.37Å
728R78.1Confident76.7Confident154 Ų15483 Ų8358%0.58142%0.421SS*.Hα-helixtrans-80.9-41.3-176.8-72-179.2-177.7173.53113.7V724 Q725V724-R728 HydrophobicContact CG1-CG 4.46Å; V724-R728 WeakPolarHBondContact O-CG 3.38Å; V724-R728 PolarHBondContact O-N 2.84Å; Q725-R728 PolarHBondContact O-N 3.03Å
729N77.6Confident77Confident64 Ų6485.2 Ų85.234%0.34244%0.437SS..Hα-helixtrans-122.32.9-162.9-61.3-20.8000114.2Q725 Q731Q725-N729 PolarHBondContact O-N 3.21Å; N729-Q731 PolarHBondContact O-N 3.04Å
730S74.4Confident77.1Confident45 Ų4587.5 Ų87.532%0.31544%0.443SS..  trans-73.8124.5-177.2-170.30000112.4A726 L732A726-S730 WeakPolarHBondContact O-CB 3.35Å; A726-S730 PolarHBondContact O-N 3.02Å; S730-L732 WeakPolarHBondContact OG-CB 3.3Å; S730-L732 PolarHBondContact OG-N 3.28Å
731Q66.5Low77.3Confident176 Ų17688.4 Ų88.482%0.82244%0.442SS*.  trans-103.516.9165.5-59.4-174.42.100112.1N729N729-Q731 PolarHBondContact O-N 3.04Å
732L73.1Confident77.4Confident82 Ų8290 Ų9043%0.42945%0.453SS..  trans-77.5139-176.5-67.3170.8000111.1S730 R736 L737S730-L732 WeakPolarHBondContact OG-CB 3.3Å; S730-L732 PolarHBondContact OG-N 3.28Å; L732-R736 HydrophobicContact CB-CB 4.39Å; L732-R736 HydrophobicContact CD2-CB 4.46Å; L732-L737 HydrophobicContact CB-CB 4.29Å
733E74.9Confident77.5Confident138 Ų13891.6 Ų91.665%0.64547%0.465SS*.  trans-52.5146.3167.5-72.4-65.8161.200111.6D735 R736 L737E733-D735 PolarHBondContact O-N 2.7Å; E733-R736 PolarHBondContact O-N 3.46Å; E733-L737 PolarHBondContact O-N 3.4Å
734P76.8Confident77.5Confident92 Ų9288.6 Ų88.660%0.59745%0.45SS*.Hα-helixtrans-53-37.5-171.8-25.832.7000114.3R738P734-R738 WeakPolarHBondContact O-CB 3.48Å; P734-R738 PolarHBondContact O-N 3.44Å
735D75Confident77.5Confident117 Ų11793 Ų9363%0.62646%0.463SS*.Hα-helixtrans-73.4-36.1179.8-69.6-35000113E733 T739E733-D735 PolarHBondContact O-N 2.7Å; D735-T739 PolarHBondContact O-N 3.13Å; D735-T739 PolarHBondContact O-OG1 3.11Å
736R78.6Confident77.7Confident177 Ų17798.4 Ų98.467%0.66849%0.486SS*.Hα-helixtrans-70.7-38.7174-71.6-172.3176.8-176.41.2110.8L732 E733 T739 Y740L732-R736 HydrophobicContact CB-CB 4.39Å; L732-R736 HydrophobicContact CD2-CB 4.46Å; E733-R736 PolarHBondContact O-N 3.46Å; R736-T739 PolarHBondContact O-N 3.35Å; R736-Y740 WeakPolarHBondContact O-CB 3.5Å; R736-Y740 PolarHBondContact O-N 3.18Å
737L80.8Confident77.6Confident48 Ų48103.6 Ų103.625%0.25151%0.506SS..Hα-helixtrans-62.2-44.8173.8-175.464.5000111.1L732 E733 T739 Y740 L741L732-L737 HydrophobicContact CB-CB 4.29Å; E733-L737 PolarHBondContact O-N 3.4Å; L737-T739 VanDerWaalsContact C-N 3.31Å; L737-T739 PolarHBondContact O-N 3.07Å; L737-Y740 PolarHBondContact O-N 3.32Å; L737-L741 HydrophobicContact CD1-CG 4.46Å; L737-L741 HydrophobicContact CG-CD1 4.15Å; L737-L741 HydrophobicContact CG-CG 4.47Å; L737-L741 WeakPolarHBondContact O-CB 3.49Å; L737-L741 VanDerWaalsContact O-CG 3.27Å; L737-L741 WeakPolarHBondContact O-CG 3.41Å; L737-L741 PolarHBondContact O-N 3.25Å
738R78.3Confident77.6Confident184 Ų184102.4 Ų102.469%0.69448%0.483SS*.Hα-helixtrans-58.1-43.1174.6-179.4-179-83167.1-6.4111.9P734 L741 S742P734-R738 WeakPolarHBondContact O-CB 3.48Å; P734-R738 PolarHBondContact O-N 3.44Å; R738-L741 PolarHBondContact O-N 2.92Å; R738-S742 WeakPolarHBondContact O-CB 3.5Å; R738-S742 PolarHBondContact O-N 3.14Å
739T81.9Confident77.3Confident82 Ų8298.3 Ų98.350%0.50348%0.482SS..Hα-helixtrans-65.8-42.7177.8-530000111.6D735 R736 L737 S742 N743D735-T739 PolarHBondContact O-N 3.13Å; D735-T739 PolarHBondContact O-OG1 3.11Å; R736-T739 PolarHBondContact O-N 3.35Å; L737-T739 VanDerWaalsContact C-N 3.31Å; L737-T739 PolarHBondContact O-N 3.07Å; T739-S742 PolarHBondContact O-N 3.48Å; T739-N743 PolarHBondContact O-N 3.05Å; T739-N743 PolarHBondContact O-ND2 3.33Å
740Y81.3Confident76.7Confident88 Ų8898.1 Ų98.135%0.34550%0.496SS..Hα-helixtrans-61.1-46.4175.2175.9-100.8000112.2A726 R736 L737 S742 N743 L744A726-Y740 HydrophobicContact CB-CE1 4.15Å; R736-Y740 WeakPolarHBondContact O-CB 3.5Å; R736-Y740 PolarHBondContact O-N 3.18Å; L737-Y740 PolarHBondContact O-N 3.32Å; Y740-S742 VanDerWaalsContact C-N 3.33Å; Y740-S742 PolarHBondContact O-N 3.16Å; Y740-N743 WeakPolarHBondContact O-CB 3.35Å; Y740-N743 PolarHBondContact O-N 3.37Å; Y740-N743 VanDerWaalsContact O-N 3.1Å; Y740-L744 HydrophobicContact CD1-CD1 3.75Å; Y740-L744 HydrophobicContact CD1-CG 4.47Å; Y740-L744 HydrophobicContact CE1-CD1 3.18Å; Y740-L744 HydrophobicContact CE1-CG 4.01Å; Y740-L744 PolarHBondContact O-N 3.33Å
741L82.2Confident76.1Confident67 Ų67100.8 Ų100.835%0.35151%0.506SS..Hα-helixtrans-62.8-38.9175.9-68.5173.2000111.9L723 L737 R738 N743 L744 K745L723-L741 HydrophobicContact CD2-CD2 3.47Å; L723-L741 VanDerWaalsContact CD2-CD2 3.47Å; L737-L741 HydrophobicContact CD1-CG 4.46Å; L737-L741 HydrophobicContact CG-CD1 4.15Å; L737-L741 HydrophobicContact CG-CG 4.47Å; L737-L741 WeakPolarHBondContact O-CB 3.49Å; L737-L741 VanDerWaalsContact O-CG 3.27Å; L737-L741 WeakPolarHBondContact O-CG 3.41Å; L737-L741 PolarHBondContact O-N 3.25Å; R738-L741 PolarHBondContact O-N 2.92Å; L741-N743 VanDerWaalsContact C-N 3.31Å; L741-N743 PolarHBondContact O-N 2.74Å; L741-L744 HydrophobicContact CD2-CD1 4.27Å; L741-L744 PolarHBondContact O-N 2.96Å; L741-K745 PolarHBondContact O-N 2.69Å
742S79.7Confident75.7Confident55 Ų5596.4 Ų96.439%0.38549%0.485SS..Hα-helixtrans-63.6-37.3172.8-175.80000112.2R738 T739 Y740 K745 K746R738-S742 WeakPolarHBondContact O-CB 3.5Å; R738-S742 PolarHBondContact O-N 3.14Å; T739-S742 PolarHBondContact O-N 3.48Å; Y740-S742 VanDerWaalsContact C-N 3.33Å; Y740-S742 PolarHBondContact O-N 3.16Å; S742-K745 PolarHBondContact O-N 3.43Å; S742-K746 WeakPolarHBondContact O-CG 3.35Å; S742-K746 PolarHBondContact O-N 2.98Å
743N80.9Confident74.5Confident79 Ų7996 Ų9642%0.42249%0.487SS..Hα-helixtrans-71.8-36.9176.8-73-21.4000112T739 Y740 L741 K746 K747T739-N743 PolarHBondContact O-N 3.05Å; T739-N743 PolarHBondContact O-ND2 3.33Å; Y740-N743 WeakPolarHBondContact O-CB 3.35Å; Y740-N743 PolarHBondContact O-N 3.37Å; Y740-N743 VanDerWaalsContact O-N 3.1Å; L741-N743 VanDerWaalsContact C-N 3.31Å; L741-N743 PolarHBondContact O-N 2.74Å; N743-K746 PolarHBondContact O-N 3.05Å; N743-K747 PolarHBondContact O-N 3.24Å
744L79.9Confident72.9Confident10 Ų10100.9 Ų100.95%0.05250%0.499CS..Hα-helixtrans-60.3-44.7170.9-85.2169.3000111.6L719 R722 L723 Y740 L741 K746 K747 Y748L719-L744 HydrophobicContact CD1-CB 4.34Å; R722-L744 HydrophobicContact CB-CD1 4.46Å; R722-L744 HydrophobicContact CB-CD2 3.98Å; R722-L744 VanDerWaalsContact CD-CD2 3.5Å; R722-L744 HydrophobicContact CG-CD2 4.41Å; L723-L744 HydrophobicContact CD2-CD1 4.46Å; Y740-L744 HydrophobicContact CD1-CD1 3.75Å; Y740-L744 HydrophobicContact CD1-CG 4.47Å; Y740-L744 HydrophobicContact CE1-CD1 3.18Å; Y740-L744 HydrophobicContact CE1-CG 4.01Å; Y740-L744 PolarHBondContact O-N 3.33Å; L741-L744 HydrophobicContact CD2-CD1 4.27Å; L741-L744 PolarHBondContact O-N 2.96Å; L744-K746 VanDerWaalsContact C-N 3.33Å; L744-K746 PolarHBondContact O-N 3.29Å; L744-K747 PolarHBondContact O-N 3.4Å; L744-Y748 WeakPolarHBondContact O-CB 3.4Å; L744-Y748 PolarHBondContact O-N 3.27Å
745K79.8Confident70.9Confident159 Ų159100.3 Ų100.369%0.69150%0.502SS*.Hα-helixtrans-60.2-41.8175.1-174.4177.1179.6178.60111.9L741 S742 A749L741-K745 PolarHBondContact O-N 2.69Å; S742-K745 PolarHBondContact O-N 3.43Å; K745-A749 WeakPolarHBondContact O-CB 3.3Å; K745-A749 PolarHBondContact O-N 3.38Å
746K79.4Confident69Low145 Ų145102 Ų10263%0.6352%0.516SS*.Hα-helixtrans-65.4-41.7175.2-75.1178.9-179.5178.20112.5S742 N743 L744 A749 G750S742-K746 WeakPolarHBondContact O-CG 3.35Å; S742-K746 PolarHBondContact O-N 2.98Å; N743-K746 PolarHBondContact O-N 3.05Å; L744-K746 VanDerWaalsContact C-N 3.33Å; L744-K746 PolarHBondContact O-N 3.29Å; K746-A749 PolarHBondContact O-N 3.15Å; K746-G750 PolarHBondContact O-N 3.43Å
747K75.3Confident67.1Low126 Ų12696.8 Ų96.855%0.54852%0.518SS..Hα-helixtrans-62.1-48.4175.5-80.4-174175.5-176.60111.5N743 L744 A749 G750 D751N743-K747 PolarHBondContact O-N 3.24Å; L744-K747 PolarHBondContact O-N 3.4Å; K747-A749 VanDerWaalsContact C-N 3.27Å; K747-A749 PolarHBondContact O-N 2.9Å; K747-G750 CarbonylContact O-C 3.53Å; K747-G750 WeakPolarHBondContact O-CA 3.37Å; K747-G750 PolarHBondContact O-N 3.36Å; K747-D751 PolarHBondContact O-N 3.01Å
748Y75.8Confident64.5Low62 Ų62101.9 Ų101.924%0.24355%0.545CS..Hα-helixtrans-57.1-39.5175.4177.4-102.5000112.9A715 V716 L719 L744 G750 F752A715-Y748 HydrophobicContact CB-CD2 4.04Å; A715-Y748 HydrophobicContact CB-CE2 3.9Å; A715-Y748 WeakPolarHBondContact O-CD2 3.31Å; V716-Y748 HydrophobicContact CG2-CE2 3.97Å; V716-Y748 VanDerWaalsContact CG2-OH 3.31Å; V716-Y748 WeakPolarHBondContact CG2-OH 3.43Å; L719-Y748 HydrophobicContact CB-CD2 3.97Å; L719-Y748 HydrophobicContact CB-CE2 4.45Å; L719-Y748 HydrophobicContact CD2-CD1 4.19Å; L719-Y748 HydrophobicContact CD2-CD2 3.79Å; L719-Y748 HydrophobicContact CD2-CE1 4.48Å; L719-Y748 HydrophobicContact CD2-CE2 4.1Å; L719-Y748 HydrophobicContact CD2-CG 3.83Å; L719-Y748 HydrophobicContact CG-CD2 4.38Å; L744-Y748 WeakPolarHBondContact O-CB 3.4Å; L744-Y748 PolarHBondContact O-N 3.27Å; Y748-G750 VanDerWaalsContact C-N 3.31Å; Y748-G750 PolarHBondContact O-N 2.97Å; Y748-F752 HydrophobicContact CE1-CD2 4.31Å; Y748-F752 HydrophobicContact CE1-CE2 4.01Å; Y748-F752 HydrophobicContact CE2-CE2 4.39Å; Y748-F752 AromaticContact CZ-CE2 3.74Å; Y748-F752 PolarHBondContact O-N 3.05Å
749A70.7Confident62.3Low68 Ų6898.6 Ų98.656%0.56255%0.547SS*.Hα-helixtrans-69.8-25.9175.300000113.6K745 K746 K747K745-A749 WeakPolarHBondContact O-CB 3.3Å; K745-A749 PolarHBondContact O-N 3.38Å; K746-A749 PolarHBondContact O-N 3.15Å; K747-A749 VanDerWaalsContact C-N 3.27Å; K747-A749 PolarHBondContact O-N 2.9Å
750G65.2Low60.2Low61 Ų61103.7 Ų103.763%0.62957%0.565SS**Hα-helixtrans-83.9-29.9175.900000114K746 K747 Y748 F752K746-G750 PolarHBondContact O-N 3.43Å; K747-G750 CarbonylContact O-C 3.53Å; K747-G750 WeakPolarHBondContact O-CA 3.37Å; K747-G750 PolarHBondContact O-N 3.36Å; Y748-G750 VanDerWaalsContact C-N 3.31Å; Y748-G750 PolarHBondContact O-N 2.97Å; G750-F752 PolarHBondContact O-N 3.39Å
751D61.4Low58.1Low100 Ų100108.6 Ų108.654%0.53559%0.589SS.*SBendtrans-73.9-10.2174.4-64.3-25.5000112.1A715 K747 P753A715-D751 HydrophobicContact CB-CB 4.34Å; K747-D751 PolarHBondContact O-N 3.01Å; D751-P753 WeakPolarHBondContact O-CD 3.34Å
752F58.2Low55.6Low85 Ų85111.7 Ų111.737%0.37361%0.61SS.*SBendtrans-76.1119169.4-113.4-91.2000110R712 Y748 G750 R754R712-F752 HydrophobicContact CG-CZ 3.97Å; Y748-F752 HydrophobicContact CE1-CD2 4.31Å; Y748-F752 HydrophobicContact CE1-CE2 4.01Å; Y748-F752 HydrophobicContact CE2-CE2 4.39Å; Y748-F752 AromaticContact CZ-CE2 3.74Å; Y748-F752 PolarHBondContact O-N 3.05Å; G750-F752 PolarHBondContact O-N 3.39Å; F752-R754 PolarHBondContact O-N 3.05Å
753P48.1Very low53.4Low72 Ų72118.1 Ų118.147%0.46863%0.634SS.*  trans-62127.1164-0.110.9000107.5D751 A755D751-P753 WeakPolarHBondContact O-CD 3.34Å; P753-A755 PolarHBondContact O-N 3.49Å
754R41.1Very low50.9Low242 Ų242127.3 Ų127.391%0.91368%0.675SS**  trans-54.1108162.9-84.9-178.1172.8175.6-2.8106.5F752 V756F752-R754 PolarHBondContact O-N 3.05Å; R754-V756 PolarHBondContact O-N 3.2Å
755A35.7Very low49.5Very low80 Ų80133.2 Ų133.266%0.66171%0.706SS**  trans-51.7117.4173.200000107.7P753 G757P753-A755 PolarHBondContact O-N 3.49Å; A755-G757 PolarHBondContact O-N 3.4Å
756V35.8Very low47.9Very low151 Ų151131.8 Ų131.892%0.91571%0.706SS**SBendtrans-64106.7171174.30000106.6R754R754-V756 PolarHBondContact O-N 3.2Å
757G37.1Very low46.2Very low69 Ų69131.1 Ų131.171%0.71171%0.711SS**  trans62.677.3159.300000116.8A755A755-G757 PolarHBondContact O-N 3.4Å
758L27.1Very low44.4Very low155 Ų155131.4 Ų131.481%0.81272%0.72SS**  trans-104.2127.1143.3-86154.8000106.6E760L758-E760 PolarHBondContact O-N 3.48Å
759P32.3Very low42.5Very low114 Ų114135.7 Ų135.774%0.7475%0.75SS**  trans-62.8132.6-178.525.7-30.9000109.4K761P759-K761 PolarHBondContact O-N 3.43Å
760E38.2Very low40.6Very low190 Ų190140.2 Ų140.289%0.88876%0.763SS**  trans-48.4111.4162-71.6175.9152.900109.1L758L758-E760 PolarHBondContact O-N 3.48Å
761K35.9Very low38.8Very low191 Ų191145.9 Ų145.983%0.8377%0.772SS**  trans166.4114.7162.1-94.7160-167.6-167.80105P759P759-K761 PolarHBondContact O-N 3.43Å
762T29.6Very low37.1Very low132 Ų132149.4 Ų149.481%0.8179%0.79SS**  cis-157.2150.843.230.60000110E764T762-E764 PolarHBondContact O-N 3.1Å
763E34.7Very low35.4Very low190 Ų190154.8 Ų154.889%0.88883%0.825SS**  trans-53.4124.3160.9-64.4168.2144.600110.4
764E28.7Very low34.2Very low271 Ų271162.3 Ų162.3100%1.26686%0.858SS**  trans-176.10135-101.4178.5-174.800110.7T762T762-E764 PolarHBondContact O-N 3.1Å

Retrieved 764 of 764 residues in 4634.6 ms (Link to these results)

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