A0A096MBZ4_POEFO Loading...

Abhydrolase domain containing 18

AlphaFold DB , UniProt , Accession A0A096MBZ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 283 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
1M59Low81.3Confident214 Ų21466.4 Ų66.4100%1.05440%0.401SS*.  0-40.20-72.5-163164.600113.4G3 A4M1-G3 PolarHBondContact O-N 3.3Å; M1-A4 PolarHBondContact O-N 3.33Å
2G70.4Confident82Confident24 Ų2464.1 Ų64.125%0.24739%0.385CS..Hα-helixtrans-57.1-41.7-178.500000115.7A4 L5 I6G2-A4 VanDerWaalsContact C-N 3.33Å; G2-A4 PolarHBondContact O-N 3.36Å; G2-L5 PolarHBondContact O-N 3.21Å; G2-L5 VanDerWaalsContact O-N 3.15Å; G2-I6 WeakPolarHBondContact O-CG1 3.42Å; G2-I6 PolarHBondContact O-N 3.34Å; G2-I6 VanDerWaalsContact O-N 3.09Å
3G78.5Confident82.5Confident45 Ų4559.2 Ų59.246%0.46436%0.355SS..Hα-helixtrans-58.5-37.6-178.200000115.1M1 I6 L7M1-G3 PolarHBondContact O-N 3.3Å; G3-I6 PolarHBondContact O-N 3.05Å; G3-L7 WeakPolarHBondContact O-CG 3.22Å; G3-L7 PolarHBondContact O-N 3.48Å; G3-L7 VanDerWaalsContact O-N 3.11Å
4A81.5Confident82.9Confident70 Ų7064.7 Ų64.758%0.57937%0.367SS*.Hα-helixtrans-65.5-41.6177.800000111.7M1 G2 L7 E8M1-A4 PolarHBondContact O-N 3.33Å; G2-A4 VanDerWaalsContact C-N 3.33Å; G2-A4 PolarHBondContact O-N 3.36Å; A4-L7 PolarHBondContact O-N 3.13Å; A4-E8 WeakPolarHBondContact O-CB 3.38Å; A4-E8 PolarHBondContact O-N 3.15Å
5L81.8Confident83.4Confident35 Ų3568.5 Ų68.518%0.18337%0.373CS..Hα-helixtrans-67.3-36.6178.4-70.6172.2000112.3G2 S9 M35 L250G2-L5 PolarHBondContact O-N 3.21Å; G2-L5 VanDerWaalsContact O-N 3.15Å; L5-S9 VanDerWaalsContact O-CB 3.27Å; L5-S9 WeakPolarHBondContact O-CB 3.36Å; L5-S9 PolarHBondContact O-N 3.08Å; L5-S9 PolarHBondContact O-OG 3.23Å; L5-M35 HydrophobicContact CB-SD 4.3Å; L5-M35 HydrophobicContact CD1-CG 3.93Å; L5-M35 HydrophobicContact CD1-SD 3.72Å; L5-L250 HydrophobicContact CD2-CD1 4.4Å; L5-L250 HydrophobicContact CD2-CD2 4.26Å
6I85.1Confident83.7Confident22 Ų2264.3 Ų64.311%0.11335%0.35CS..Hα-helixtrans-62.8-47174.8-65.6166.5000110.2G2 G3 S9 T10 L38 N42G2-I6 WeakPolarHBondContact O-CG1 3.42Å; G2-I6 PolarHBondContact O-N 3.34Å; G2-I6 VanDerWaalsContact O-N 3.09Å; G3-I6 PolarHBondContact O-N 3.05Å; I6-S9 PolarHBondContact O-N 2.99Å; I6-T10 WeakPolarHBondContact O-CB 3.37Å; I6-T10 PolarHBondContact O-N 3.48Å; I6-T10 PolarHBondContact O-OG1 2.81Å; I6-L38 HydrophobicContact CD1-CB 3.72Å; I6-L38 HydrophobicContact CD1-CD1 4.01Å; I6-L38 HydrophobicContact CD1-CG 4.48Å; I6-L38 HydrophobicContact CG1-CB 3.83Å; I6-N42 HydrophobicContact CG2-CB 4.03Å
7L86.1Confident83.8Confident120 Ų12063.7 Ų63.763%0.62834%0.344SS*.Hα-helixtrans-65.5-44.2178.8-71.8174.9000112.1G3 A4 S9 T10 V11G3-L7 WeakPolarHBondContact O-CG 3.22Å; G3-L7 PolarHBondContact O-N 3.48Å; G3-L7 VanDerWaalsContact O-N 3.11Å; A4-L7 PolarHBondContact O-N 3.13Å; L7-S9 VanDerWaalsContact C-N 3.34Å; L7-S9 PolarHBondContact O-N 3.48Å; L7-T10 PolarHBondContact O-N 2.99Å; L7-V11 WeakPolarHBondContact O-CG2 3.31Å; L7-V11 PolarHBondContact O-N 3.35Å
8E87.1Confident84Confident60 Ų6071.7 Ų71.728%0.2837%0.369SS..Hα-helixtrans-59.6-45.9176.2-175.8174.5-156.100111.3A4 T10 V11 L12 L248A4-E8 WeakPolarHBondContact O-CB 3.38Å; A4-E8 PolarHBondContact O-N 3.15Å; E8-T10 VanDerWaalsContact C-N 3.32Å; E8-T10 PolarHBondContact O-N 3.07Å; E8-V11 PolarHBondContact O-N 3.43Å; E8-L12 WeakPolarHBondContact O-CB 3.36Å; E8-L12 PolarHBondContact O-N 2.87Å; E8-L248 VanDerWaalsContact CD-CD2 3.45Å; E8-L248 HydrophobicContact CG-CD2 4.08Å; E8-L248 WeakPolarHBondContact OE1-CD2 3.08Å
9S86.8Confident84.4Confident17 Ų1773.6 Ų73.612%0.11938%0.376CS..Hα-helixtrans-61.4-41.1176.8-60.30000111.8L5 I6 L7 L12 L13L5-S9 VanDerWaalsContact O-CB 3.27Å; L5-S9 WeakPolarHBondContact O-CB 3.36Å; L5-S9 PolarHBondContact O-N 3.08Å; L5-S9 PolarHBondContact O-OG 3.23Å; I6-S9 PolarHBondContact O-N 2.99Å; L7-S9 VanDerWaalsContact C-N 3.34Å; L7-S9 PolarHBondContact O-N 3.48Å; S9-L12 PolarHBondContact O-N 2.81Å; S9-L13 WeakPolarHBondContact O-CB 3.36Å; S9-L13 VanDerWaalsContact O-CG 3.27Å; S9-L13 WeakPolarHBondContact O-CG 3.17Å; S9-L13 PolarHBondContact O-N 3.29Å
10T88.1Confident84.6Confident24 Ų2473 Ų7315%0.14739%0.389CS..Hα-helixtrans-65.8-42.9177.9-62.10000111.6I6 L7 E8 L12 L13 R14 W43I6-T10 WeakPolarHBondContact O-CB 3.37Å; I6-T10 PolarHBondContact O-N 3.48Å; I6-T10 PolarHBondContact O-OG1 2.81Å; L7-T10 PolarHBondContact O-N 2.99Å; E8-T10 VanDerWaalsContact C-N 3.32Å; E8-T10 PolarHBondContact O-N 3.07Å; T10-L12 VanDerWaalsContact C-N 3.32Å; T10-L12 PolarHBondContact O-N 3.19Å; T10-L13 PolarHBondContact O-N 2.94Å; T10-R14 PolarHBondContact O-N 3.48Å; T10-W43 HydrophobicContact CG2-CE3 3.89Å; T10-W43 HydrophobicContact CG2-CZ3 3.76Å; T10-W43 WeakPolarHBondContact O-CZ3 3.49Å
11V90.4Very high84.3Confident99 Ų9973.4 Ų73.460%0.639%0.385SS*.Hα-helixtrans-62.4-42.3176.1169.90000110.6L7 E8 R14 W15L7-V11 WeakPolarHBondContact O-CG2 3.31Å; L7-V11 PolarHBondContact O-N 3.35Å; E8-V11 PolarHBondContact O-N 3.43Å; V11-R14 PolarHBondContact O-N 3.29Å; V11-W15 PolarHBondContact O-N 3.47Å
12L89.6Confident85.3Confident39 Ų3968.2 Ų68.220%0.20435%0.354CS..Hα-helixtrans-67.2-40.5179.1-168134.5000112.1E8 S9 T10 W15 L16 I220 L248E8-L12 WeakPolarHBondContact O-CB 3.36Å; E8-L12 PolarHBondContact O-N 2.87Å; S9-L12 PolarHBondContact O-N 2.81Å; T10-L12 VanDerWaalsContact C-N 3.32Å; T10-L12 PolarHBondContact O-N 3.19Å; L12-W15 PolarHBondContact O-N 2.89Å; L12-L16 HydrophobicContact CD2-CD1 3.71Å; L12-L16 HydrophobicContact CD2-CG 4.36Å; L12-L16 WeakPolarHBondContact O-CG 3.42Å; L12-L16 PolarHBondContact O-N 2.86Å; L12-I220 HydrophobicContact CD2-CD1 3.16Å; L12-L248 HydrophobicContact CD1-CD1 3.87Å
13L87.8Confident85.9Confident0 Ų069.6 Ų69.60%036%0.359CS..Hα-helixtrans-61.3-41.8172.3-72.6170.6000111.8S9 T10 L16 E17 L24 W43 I47 I220S9-L13 WeakPolarHBondContact O-CB 3.36Å; S9-L13 VanDerWaalsContact O-CG 3.27Å; S9-L13 WeakPolarHBondContact O-CG 3.17Å; S9-L13 PolarHBondContact O-N 3.29Å; T10-L13 PolarHBondContact O-N 2.94Å; L13-L16 PolarHBondContact O-N 2.97Å; L13-E17 WeakPolarHBondContact O-CB 3.12Å; L13-E17 PolarHBondContact O-N 3.4Å; L13-L24 HydrophobicContact CD2-CB 4.41Å; L13-L24 HydrophobicContact CD2-CD1 3.91Å; L13-W43 HydrophobicContact CB-CD2 4.31Å; L13-W43 HydrophobicContact CB-CE3 4.01Å; L13-W43 HydrophobicContact CB-CH2 3.74Å; L13-W43 HydrophobicContact CB-CZ2 4.1Å; L13-W43 HydrophobicContact CB-CZ3 3.71Å; L13-W43 HydrophobicContact CD1-CD2 4.09Å; L13-W43 HydrophobicContact CD1-CE3 4.08Å; L13-W43 HydrophobicContact CD1-CG 4.32Å; L13-I47 HydrophobicContact CD1-CD1 3.77Å; L13-I47 HydrophobicContact CD2-CD1 3.89Å; L13-I47 HydrophobicContact CG-CD1 4.4Å; L13-I220 HydrophobicContact CD2-CD1 4.13Å
14R89Confident86.1Confident137 Ų13767.7 Ų67.752%0.51734%0.338SS..Hα-helixtrans-63.3-41.9174.3-79.6-169.9179177.50.9112.4T10 V11 E17 R18 W43T10-R14 PolarHBondContact O-N 3.48Å; V11-R14 PolarHBondContact O-N 3.29Å; R14-E17 PolarHBondContact O-N 3.45Å; R14-R18 VanDerWaalsContact O-CG 3.31Å; R14-R18 WeakPolarHBondContact O-CG 3.27Å; R14-R18 PolarHBondContact O-N 3.18Å; R14-W43 HydrophobicContact CB-CH2 4.12Å; R14-W43 HydrophobicContact CG-CH2 3.31Å; R14-W43 HydrophobicContact CG-CZ3 3.56Å
15W90.3Very high86.4Confident122 Ų12264.5 Ų64.546%0.46231%0.312SS..Hα-helixtrans-63.8-47.2178.4177.774000110.9V11 L12 E17 R18 E19V11-W15 PolarHBondContact O-N 3.47Å; L12-W15 PolarHBondContact O-N 2.89Å; W15-E17 VanDerWaalsContact C-N 3.32Å; W15-E17 PolarHBondContact O-N 3.15Å; W15-R18 WeakPolarHBondContact O-CB 3.41Å; W15-R18 PolarHBondContact O-N 3.38Å; W15-R18 VanDerWaalsContact O-N 3.15Å; W15-E19 HydrophobicContact CD2-CG 4.28Å; W15-E19 HydrophobicContact CH2-CG 4.43Å; W15-E19 HydrophobicContact CZ2-CG 3.87Å; W15-E19 WeakPolarHBondContact O-CG 3.47Å; W15-E19 PolarHBondContact O-N 3.05Å
16L87.5Confident86.6Confident1 Ų163 Ų631%0.00530%0.304CS..Hα-helixtrans-60.4-40.8176.7-72.9173.6000112.6L12 L13 E19 G20 Y21 L24 I220 F246L12-L16 HydrophobicContact CD2-CD1 3.71Å; L12-L16 HydrophobicContact CD2-CG 4.36Å; L12-L16 WeakPolarHBondContact O-CG 3.42Å; L12-L16 PolarHBondContact O-N 2.86Å; L13-L16 PolarHBondContact O-N 2.97Å; L16-E19 PolarHBondContact O-N 3.3Å; L16-G20 PolarHBondContact O-N 3.46Å; L16-Y21 HydrophobicContact CB-CD2 4.44Å; L16-Y21 HydrophobicContact CD2-CD2 3.77Å; L16-Y21 HydrophobicContact CD2-CE2 4.37Å; L16-Y21 HydrophobicContact CD2-CG 4.35Å; L16-Y21 WeakPolarHBondContact O-CB 3.5Å; L16-Y21 WeakPolarHBondContact O-CD2 3.14Å; L16-Y21 PolarHBondContact O-N 2.96Å; L16-L24 HydrophobicContact CB-CD1 3.71Å; L16-L24 HydrophobicContact CB-CD2 4.27Å; L16-L24 HydrophobicContact CD1-CD1 4.28Å; L16-L24 HydrophobicContact CD1-CD2 4.26Å; L16-I220 HydrophobicContact CD1-CB 4.48Å; L16-I220 HydrophobicContact CD1-CD1 3.66Å; L16-I220 HydrophobicContact CD1-CG2 3.86Å; L16-F246 HydrophobicContact CD2-CE2 4.11Å; L16-F246 HydrophobicContact CD2-CZ 4.1Å
17E86Confident86.7Confident54 Ų5462.2 Ų62.225%0.25230%0.3SS..Hα-helixtrans-62.5-42.3175.4177.4168.5-117.600112.1L13 R14 W15 E19 G20 K45L13-E17 WeakPolarHBondContact O-CB 3.12Å; L13-E17 PolarHBondContact O-N 3.4Å; R14-E17 PolarHBondContact O-N 3.45Å; W15-E17 VanDerWaalsContact C-N 3.32Å; W15-E17 PolarHBondContact O-N 3.15Å; E17-E19 VanDerWaalsContact C-N 3.3Å; E17-E19 PolarHBondContact O-N 3.29Å; E17-G20 PolarHBondContact O-N 2.91Å; E17-K45 WeakPolarHBondContact OE1-CD 3.43Å; E17-K45 WeakPolarHBondContact OE1-CE 3.38Å; E17-K45 IonicContact OE1-NZ 3.46Å; E17-K45 PolarHBondContact OE1-NZ 3.43Å; E17-K45 IonicContact OE2-NZ 2.99Å
18R87.9Confident86.7Confident207 Ų20756.5 Ų56.578%0.78127%0.27SS*.Hα-helixtrans-63.8-34.7177.3-75.6174.4178.8-177.9-1.1112.9R14 W15 G20R14-R18 VanDerWaalsContact O-CG 3.31Å; R14-R18 WeakPolarHBondContact O-CG 3.27Å; R14-R18 PolarHBondContact O-N 3.18Å; W15-R18 WeakPolarHBondContact O-CB 3.41Å; W15-R18 PolarHBondContact O-N 3.38Å; W15-R18 VanDerWaalsContact O-N 3.15Å; R18-G20 PolarHBondContact O-N 3.02Å
19E90.2Very high86.4Confident108 Ų10856.7 Ų56.751%0.50527%0.273SS..THydrogen-bonded Turntrans-76.91.1175.4-64.1-63.9137.300113.1W15 L16 E17 Y21W15-E19 HydrophobicContact CD2-CG 4.28Å; W15-E19 HydrophobicContact CH2-CG 4.43Å; W15-E19 HydrophobicContact CZ2-CG 3.87Å; W15-E19 WeakPolarHBondContact O-CG 3.47Å; W15-E19 PolarHBondContact O-N 3.05Å; L16-E19 PolarHBondContact O-N 3.3Å; E17-E19 VanDerWaalsContact C-N 3.3Å; E17-E19 PolarHBondContact O-N 3.29Å; E19-Y21 HydrophobicContact CB-CD2 3.5Å; E19-Y21 VanDerWaalsContact CB-CD2 3.5Å; E19-Y21 HydrophobicContact CB-CE2 3.33Å; E19-Y21 HydrophobicContact CG-CE2 4.2Å
20G88.6Confident86.3Confident61 Ų6158.2 Ų58.263%0.62928%0.284SS*.THydrogen-bonded Turntrans84.114.3177.400000114.5L16 E17 R18 W22L16-G20 PolarHBondContact O-N 3.46Å; E17-G20 PolarHBondContact O-N 2.91Å; R18-G20 PolarHBondContact O-N 3.02Å; G20-W22 PolarHBondContact O-N 3.3Å
21Y79Confident86Confident82 Ų8261.3 Ų61.332%0.32230%0.298SS..  trans-82.890.2173-55.7-73.1000109.2L16 E19 L24L16-Y21 HydrophobicContact CB-CD2 4.44Å; L16-Y21 HydrophobicContact CD2-CD2 3.77Å; L16-Y21 HydrophobicContact CD2-CE2 4.37Å; L16-Y21 HydrophobicContact CD2-CG 4.35Å; L16-Y21 WeakPolarHBondContact O-CB 3.5Å; L16-Y21 WeakPolarHBondContact O-CD2 3.14Å; L16-Y21 PolarHBondContact O-N 2.96Å; E19-Y21 HydrophobicContact CB-CD2 3.5Å; E19-Y21 VanDerWaalsContact CB-CD2 3.5Å; E19-Y21 HydrophobicContact CB-CE2 3.33Å; E19-Y21 HydrophobicContact CG-CE2 4.2Å; Y21-L24 WeakPolarHBondContact O-CD1 3.33Å; Y21-L24 WeakPolarHBondContact O-CD2 3.49Å; Y21-L24 WeakPolarHBondContact O-CG 3.36Å
22W79.5Confident85.6Confident105 Ų10556.7 Ų56.740%0.39827%0.27SS..  trans-143.3140.8171.8-170.9-101000109.9G20 L24 K45 I47G20-W22 PolarHBondContact O-N 3.3Å; W22-L24 HydrophobicContact CE3-CB 4.36Å; W22-L24 HydrophobicContact CE3-CD1 4.31Å; W22-L24 HydrophobicContact CE3-CG 4.08Å; W22-L24 HydrophobicContact CZ3-CB 4.3Å; W22-L24 HydrophobicContact CZ3-CG 4.43Å; W22-K45 HydrophobicContact CH2-CB 3.79Å; W22-K45 HydrophobicContact CH2-CD 4.14Å; W22-K45 HydrophobicContact CZ2-CB 4.26Å; W22-K45 HydrophobicContact CZ2-CD 4.35Å; W22-I47 HydrophobicContact CH2-CG1 4.18Å; W22-I47 HydrophobicContact CZ3-CG1 4.36Å
23P83.1Confident85.4Confident53 Ų5354.8 Ų54.834%0.34426%0.26SS..SBendcis-78147.30.231.9-35.1000114.1R223P23-R223 HydrophobicContact CG-CB 4.29Å
24L83.9Confident85.2Confident5 Ų555.8 Ų55.83%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-105.1144.4177.7-61.6173.9000110.5L13 L16 Y21 W22 I47 P48 I220 Y221L13-L24 HydrophobicContact CD2-CB 4.41Å; L13-L24 HydrophobicContact CD2-CD1 3.91Å; L16-L24 HydrophobicContact CB-CD1 3.71Å; L16-L24 HydrophobicContact CB-CD2 4.27Å; L16-L24 HydrophobicContact CD1-CD1 4.28Å; L16-L24 HydrophobicContact CD1-CD2 4.26Å; Y21-L24 WeakPolarHBondContact O-CD1 3.33Å; Y21-L24 WeakPolarHBondContact O-CD2 3.49Å; Y21-L24 WeakPolarHBondContact O-CG 3.36Å; W22-L24 HydrophobicContact CE3-CB 4.36Å; W22-L24 HydrophobicContact CE3-CD1 4.31Å; W22-L24 HydrophobicContact CE3-CG 4.08Å; W22-L24 HydrophobicContact CZ3-CB 4.3Å; W22-L24 HydrophobicContact CZ3-CG 4.43Å; L24-I47 WeakPolarHBondContact O-CG2 3.39Å; L24-P48 VanDerWaalsContact O-CD 3.27Å; L24-P48 WeakPolarHBondContact O-CD 3.27Å; L24-I220 HydrophobicContact CB-CG2 4.28Å; L24-I220 HydrophobicContact CD2-CG2 3.85Å; L24-Y221 CarbonylContact C-O 3.53Å; L24-Y221 WeakPolarHBondContact CA-O 3.41Å
25G86.1Confident85Confident4 Ų450 Ų504%0.04124%0.243CC..EExtended strand (participates in β ladder)trans-119.4160.4167.200000111.4P48 I220 Y221G25-P48 CarbonylContact C-O 3.48Å; G25-P48 VanDerWaalsContact CA-O 3.31Å; G25-P48 WeakPolarHBondContact CA-O 3.46Å; G25-I220 CarbonylContact O-C 3.53Å; G25-I220 WeakPolarHBondContact O-CA 3.29Å; G25-I220 WeakPolarHBondContact O-CG2 3.15Å; G25-Y221 PolarHBondContact N-O 2.73Å; G25-Y221 PolarHBondContact O-N 3.46Å
26M86.5Confident84.9Confident2 Ų244.2 Ų44.21%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-127.1142.7176.2-156.3172.9-173.400110A36 A39 V40 I47 P48 L49 I50 V218 H219M26-A36 HydrophobicContact CE-CB 4.24Å; M26-A36 HydrophobicContact CG-CB 4.07Å; M26-A36 HydrophobicContact SD-CB 4.19Å; M26-A39 HydrophobicContact CE-CB 3.61Å; M26-A39 HydrophobicContact SD-CB 3.86Å; M26-V40 HydrophobicContact CB-CG2 3.71Å; M26-V40 HydrophobicContact CG-CG2 4.25Å; M26-V40 HydrophobicContact SD-CG2 3.61Å; M26-I47 HydrophobicContact CB-CG2 4.17Å; M26-P48 PolarHBondContact N-O 3.16Å; M26-L49 HydrophobicContact CB-CD1 4.13Å; M26-L49 CarbonylContact O-C 3.56Å; M26-L49 VanDerWaalsContact O-CA 3.25Å; M26-L49 WeakPolarHBondContact O-CA 3.44Å; M26-I50 PolarHBondContact O-N 3.09Å; M26-V218 HydrophobicContact CE-CB 4.46Å; M26-V218 HydrophobicContact CE-CG1 3.3Å; M26-V218 HydrophobicContact CE-CG2 4.33Å; M26-V218 HydrophobicContact CG-CG1 3.89Å; M26-V218 HydrophobicContact SD-CG1 4.44Å; M26-H219 CarbonylContact C-O 3.57Å; M26-H219 WeakPolarHBondContact CA-O 3.35Å
27T87.7Confident84.8Confident6 Ų644.4 Ų44.44%0.03722%0.222CC..EExtended strand (participates in β ladder)trans-139.9157.6170.8177.50000108.6I50 V218 H219 Y221T27-I50 WeakPolarHBondContact CA-O 2.99Å; T27-I50 WeakPolarHBondContact CB-O 3.49Å; T27-I50 PolarHBondContact OG1-O 2.74Å; T27-V218 CarbonylContact O-C 3.48Å; T27-V218 VanDerWaalsContact O-CA 3.23Å; T27-V218 WeakPolarHBondContact O-CA 3.43Å; T27-H219 HydrophobicContact CG2-CB 3.35Å; T27-H219 WeakPolarHBondContact CG2-O 3.06Å; T27-H219 PolarHBondContact N-O 2.73Å; T27-H219 PolarHBondContact O-N 3.32Å; T27-Y221 HydrophobicContact CG2-CD2 4.2Å; T27-Y221 HydrophobicContact CG2-CE2 3.4Å; T27-Y221 VanDerWaalsContact CG2-CE2 3.4Å
28G84.9Confident84.8Confident0 Ų042.2 Ų42.20%021%0.212CC..EExtended strand (participates in β ladder)trans-158.8163.2162.100000113G33 I50 C52 D217G28-G33 WeakPolarHBondContact O-CA 3.37Å; G28-I50 PolarHBondContact N-O 3.42Å; G28-C52 PolarHBondContact O-N 3.13Å; G28-D217 WeakPolarHBondContact CA-O 3.41Å
29I82.3Confident84.8Confident64 Ų6432.3 Ų32.333%0.32818%0.175SC..EExtended strand (participates in β ladder)trans-107.4136.9-176.1-58.4171.2000110M31 G32 G33 C52 L53 D217I29-M31 PolarHBondContact O-N 2.99Å; I29-G32 WeakPolarHBondContact O-CA 2.98Å; I29-G32 PolarHBondContact O-N 3Å; I29-G33 PolarHBondContact O-N 2.99Å; I29-C52 CarbonylContact C-O 3.59Å; I29-C52 VanDerWaalsContact CA-O 3.28Å; I29-C52 WeakPolarHBondContact CA-O 3.5Å; I29-C52 HydrophobicContact CG1-CB 4.13Å; I29-L53 HydrophobicContact CG2-CD1 4.45Å; I29-D217 PolarHBondContact N-O 2.9Å
30S83.5Confident84.6Confident50 Ų5027.5 Ų27.535%0.3515%0.153SC..THydrogen-bonded Turntrans55.7-123.4175.2-171.20000111.8G32 G33 Y34 C52 L53S30-G32 PolarHBondContact O-N 3.39Å; S30-G33 PolarHBondContact O-N 3.36Å; S30-Y34 PolarHBondContact O-N 3Å; S30-C52 PolarHBondContact N-O 3.11Å; S30-L53 WeakPolarHBondContact CA-O 3.23Å
31M82.3Confident84.4Confident89 Ų8925.8 Ų25.844%0.43813%0.13SC..Hα-helixtrans-57.1-35.1173.5-177.3176.6165.100112.2I29 G33 Y34 M35I29-M31 PolarHBondContact O-N 2.99Å; M31-G33 VanDerWaalsContact C-N 3.33Å; M31-G33 PolarHBondContact O-N 3.04Å; M31-Y34 PolarHBondContact O-N 3.46Å; M31-M35 VanDerWaalsContact O-CG 3.3Å; M31-M35 WeakPolarHBondContact O-CG 3.31Å; M31-M35 PolarHBondContact O-N 2.71Å
32G81.8Confident84.7Confident1 Ų126 Ų261%0.0114%0.137CC..Hα-helixtrans-66-33.617500000113.1I29 S30 M35 A36I29-G32 WeakPolarHBondContact O-CA 2.98Å; I29-G32 PolarHBondContact O-N 3Å; S30-G32 PolarHBondContact O-N 3.39Å; G32-M35 PolarHBondContact O-N 3.41Å; G32-A36 VanDerWaalsContact O-CB 3.28Å; G32-A36 WeakPolarHBondContact O-CB 3.41Å; G32-A36 PolarHBondContact O-N 2.97Å
33G85.3Confident85Confident0 Ų021.7 Ų21.70%012%0.12CC..Hα-helixtrans-66.4-40.2174.400000112G28 I29 S30 M31 A36 S37 S54G28-G33 WeakPolarHBondContact O-CA 3.37Å; I29-G33 PolarHBondContact O-N 2.99Å; S30-G33 PolarHBondContact O-N 3.36Å; M31-G33 VanDerWaalsContact C-N 3.33Å; M31-G33 PolarHBondContact O-N 3.04Å; G33-A36 PolarHBondContact O-N 2.91Å; G33-S37 PolarHBondContact O-N 3.32Å; G33-S37 PolarHBondContact O-OG 2.98Å; G33-S37 VanDerWaalsContact O-OG 3.08Å; G33-S54 VanDerWaalsContact C-OG 3.31Å
34Y83.5Confident85.1Confident20 Ų2024.2 Ų24.28%0.07814%0.137CC..Hα-helixtrans-66.6-44.3176.4171.6-111000110.9S30 M31 A36 S37 L38 S54 W55 T190 M192S30-Y34 PolarHBondContact O-N 3Å; M31-Y34 PolarHBondContact O-N 3.46Å; Y34-A36 VanDerWaalsContact C-N 3.35Å; Y34-A36 PolarHBondContact O-N 3.41Å; Y34-S37 WeakPolarHBondContact O-CB 3.16Å; Y34-S37 PolarHBondContact O-N 3.45Å; Y34-L38 HydrophobicContact CE1-CD1 3.85Å; Y34-L38 HydrophobicContact CE2-CD1 4.41Å; Y34-L38 HydrophobicContact CE2-CD2 4.33Å; Y34-L38 HydrophobicContact CE2-CG 4.31Å; Y34-L38 PolarHBondContact O-N 3.47Å; Y34-L38 VanDerWaalsContact O-N 3.14Å; Y34-S54 WeakPolarHBondContact CA-OG 3.39Å; Y34-S54 WeakPolarHBondContact CB-OG 3.28Å; Y34-S54 PolarHBondContact N-OG 2.94Å; Y34-W55 WeakPolarHBondContact CD2-O 3.13Å; Y34-T190 VanDerWaalsContact CE2-O 3.23Å; Y34-T190 WeakPolarHBondContact CE2-O 3.2Å; Y34-T190 VanDerWaalsContact OH-C 3.26Å; Y34-T190 VanDerWaalsContact OH-CA 3.23Å; Y34-T190 WeakPolarHBondContact OH-CA 3.38Å; Y34-T190 WeakPolarHBondContact OH-CB 3.5Å; Y34-T190 PolarHBondContact OH-O 3.3Å; Y34-M192 HydrophobicContact CD2-CG 3.87Å; Y34-M192 HydrophobicContact CD2-SD 4.2Å; Y34-M192 HydrophobicContact CE2-CG 3.72Å
35M86.1Confident85Confident17 Ų1728.2 Ų28.28%0.08415%0.154CC..Hα-helixtrans-63.4-38174.2-66.8-67.6105.200112.6L5 M31 G32 S37 L38 A39L5-M35 HydrophobicContact CB-SD 4.3Å; L5-M35 HydrophobicContact CD1-CG 3.93Å; L5-M35 HydrophobicContact CD1-SD 3.72Å; M31-M35 VanDerWaalsContact O-CG 3.3Å; M31-M35 WeakPolarHBondContact O-CG 3.31Å; M31-M35 PolarHBondContact O-N 2.71Å; G32-M35 PolarHBondContact O-N 3.41Å; M35-S37 VanDerWaalsContact C-N 3.34Å; M35-L38 HydrophobicContact CE-CD1 3.69Å; M35-L38 PolarHBondContact O-N 3.48Å; M35-A39 WeakPolarHBondContact O-CB 3.49Å; M35-A39 PolarHBondContact O-N 2.91Å
36A87.3Confident84.8Confident0 Ų032.5 Ų32.50%018%0.181CC..Hα-helixtrans-63.5-40.3175.400000111.5M26 G32 G33 Y34 A39 V40 L49M26-A36 HydrophobicContact CE-CB 4.24Å; M26-A36 HydrophobicContact CG-CB 4.07Å; M26-A36 HydrophobicContact SD-CB 4.19Å; G32-A36 VanDerWaalsContact O-CB 3.28Å; G32-A36 WeakPolarHBondContact O-CB 3.41Å; G32-A36 PolarHBondContact O-N 2.97Å; G33-A36 PolarHBondContact O-N 2.91Å; Y34-A36 VanDerWaalsContact C-N 3.35Å; Y34-A36 PolarHBondContact O-N 3.41Å; A36-A39 PolarHBondContact O-N 3.23Å; A36-V40 WeakPolarHBondContact O-CG2 3.38Å; A36-V40 PolarHBondContact O-N 2.97Å; A36-L49 HydrophobicContact CB-CD1 3.77Å
37S86.6Confident84.5Confident5 Ų532.6 Ų32.64%0.03518%0.182CC..Hα-helixtrans-58.3-49.1172.9-56.90000111.8G33 Y34 M35 A39 V40 T41 L49 M192G33-S37 PolarHBondContact O-N 3.32Å; G33-S37 PolarHBondContact O-OG 2.98Å; G33-S37 VanDerWaalsContact O-OG 3.08Å; Y34-S37 WeakPolarHBondContact O-CB 3.16Å; Y34-S37 PolarHBondContact O-N 3.45Å; M35-S37 VanDerWaalsContact C-N 3.34Å; S37-A39 VanDerWaalsContact C-N 3.31Å; S37-A39 PolarHBondContact O-N 2.97Å; S37-V40 PolarHBondContact O-N 2.56Å; S37-T41 WeakPolarHBondContact O-CG2 3.27Å; S37-T41 PolarHBondContact O-N 2.91Å; S37-T41 PolarHBondContact O-OG1 3.37Å; S37-L49 WeakPolarHBondContact OG-CD2 3.41Å; S37-M192 VanDerWaalsContact CB-SD 3.51Å
38L85.1Confident84.4Confident7 Ų736 Ų364%0.03720%0.204CC..Hα-helixtrans-63.2-36.8178.2-63.4-178.4000112.7I6 Y34 M35 T41 N42 F195I6-L38 HydrophobicContact CD1-CB 3.72Å; I6-L38 HydrophobicContact CD1-CD1 4.01Å; I6-L38 HydrophobicContact CD1-CG 4.48Å; I6-L38 HydrophobicContact CG1-CB 3.83Å; Y34-L38 HydrophobicContact CE1-CD1 3.85Å; Y34-L38 HydrophobicContact CE2-CD1 4.41Å; Y34-L38 HydrophobicContact CE2-CD2 4.33Å; Y34-L38 HydrophobicContact CE2-CG 4.31Å; Y34-L38 PolarHBondContact O-N 3.47Å; Y34-L38 VanDerWaalsContact O-N 3.14Å; M35-L38 HydrophobicContact CE-CD1 3.69Å; M35-L38 PolarHBondContact O-N 3.48Å; L38-T41 PolarHBondContact O-OG1 3.35Å; L38-N42 PolarHBondContact O-N 2.9Å; L38-N42 PolarHBondContact O-ND2 2.84Å; L38-F195 HydrophobicContact CD2-CD1 4.18Å; L38-F195 HydrophobicContact CD2-CD2 3.38Å; L38-F195 HydrophobicContact CD2-CE1 4.14Å; L38-F195 HydrophobicContact CD2-CE2 3.34Å; L38-F195 HydrophobicContact CD2-CG 3.82Å; L38-F195 HydrophobicContact CD2-CZ 3.74Å
39A87.4Confident84.4Confident0 Ų036 Ų360%020%0.204CC..Hα-helixtrans-67.1-42.9177.100000111.8M26 M35 A36 S37 N42 W43M26-A39 HydrophobicContact CE-CB 3.61Å; M26-A39 HydrophobicContact SD-CB 3.86Å; M35-A39 WeakPolarHBondContact O-CB 3.49Å; M35-A39 PolarHBondContact O-N 2.91Å; A36-A39 PolarHBondContact O-N 3.23Å; S37-A39 VanDerWaalsContact C-N 3.31Å; S37-A39 PolarHBondContact O-N 2.97Å; A39-N42 PolarHBondContact O-N 3.09Å; A39-W43 PolarHBondContact O-N 2.91Å
40V87Confident84.5Confident7 Ų736.3 Ų36.34%0.04221%0.205CC..Hα-helixtrans-68.8-38.4179.4171.60000112.1M26 A36 S37 N42 W43 I47 L49 V199M26-V40 HydrophobicContact CB-CG2 3.71Å; M26-V40 HydrophobicContact CG-CG2 4.25Å; M26-V40 HydrophobicContact SD-CG2 3.61Å; A36-V40 WeakPolarHBondContact O-CG2 3.38Å; A36-V40 PolarHBondContact O-N 2.97Å; S37-V40 PolarHBondContact O-N 2.56Å; V40-N42 PolarHBondContact O-N 3.36Å; V40-W43 WeakPolarHBondContact O-CB 3.46Å; V40-W43 PolarHBondContact O-N 2.86Å; V40-I47 HydrophobicContact CG1-CB 4.22Å; V40-I47 HydrophobicContact CG2-CB 4.45Å; V40-I47 HydrophobicContact CG2-CG2 4.09Å; V40-L49 HydrophobicContact CB-CD1 4.46Å; V40-L49 HydrophobicContact CG1-CB 4.42Å; V40-L49 HydrophobicContact CG2-CB 4.35Å; V40-L49 HydrophobicContact CG2-CD1 3.82Å; V40-V199 HydrophobicContact CG1-CG2 4.31Å
41T84.3Confident84.6Confident25 Ų2534.6 Ų34.615%0.15319%0.193CC..Hα-helixtrans-63.5-26.9177.752.90000112.9S37 L38 F195 V199S37-T41 WeakPolarHBondContact O-CG2 3.27Å; S37-T41 PolarHBondContact O-N 2.91Å; S37-T41 PolarHBondContact O-OG1 3.37Å; L38-T41 PolarHBondContact O-OG1 3.35Å; T41-F195 HydrophobicContact CG2-CB 4.15Å; T41-V199 HydrophobicContact CG2-CG2 3.65Å
42N84.3Confident84.5Confident85 Ų8532.3 Ų32.346%0.45519%0.185SC..THydrogen-bonded Turntrans-87.6-3.3177.2-75.4-76.7000113.5I6 L38 A39 V40I6-N42 HydrophobicContact CG2-CB 4.03Å; L38-N42 PolarHBondContact O-N 2.9Å; L38-N42 PolarHBondContact O-ND2 2.84Å; A39-N42 PolarHBondContact O-N 3.09Å; V40-N42 PolarHBondContact O-N 3.36Å
43W86.6Confident84.4Confident16 Ų1637.3 Ų37.36%0.06121%0.211CC..  trans-89.7133.2-179.4-171.3-108.5000111.5T10 L13 R14 A39 V40 K45 I47T10-W43 HydrophobicContact CG2-CE3 3.89Å; T10-W43 HydrophobicContact CG2-CZ3 3.76Å; T10-W43 WeakPolarHBondContact O-CZ3 3.49Å; L13-W43 HydrophobicContact CB-CD2 4.31Å; L13-W43 HydrophobicContact CB-CE3 4.01Å; L13-W43 HydrophobicContact CB-CH2 3.74Å; L13-W43 HydrophobicContact CB-CZ2 4.1Å; L13-W43 HydrophobicContact CB-CZ3 3.71Å; L13-W43 HydrophobicContact CD1-CD2 4.09Å; L13-W43 HydrophobicContact CD1-CE3 4.08Å; L13-W43 HydrophobicContact CD1-CG 4.32Å; R14-W43 HydrophobicContact CB-CH2 4.12Å; R14-W43 HydrophobicContact CG-CH2 3.31Å; R14-W43 HydrophobicContact CG-CZ3 3.56Å; A39-W43 PolarHBondContact O-N 2.91Å; V40-W43 WeakPolarHBondContact O-CB 3.46Å; V40-W43 PolarHBondContact O-N 2.86Å; W43-K45 VanDerWaalsContact C-N 3.26Å; W43-K45 PolarHBondContact O-N 3.36Å; W43-I47 HydrophobicContact CB-CD1 4.32Å; W43-I47 HydrophobicContact CD2-CD1 4.25Å; W43-I47 HydrophobicContact CG-CD1 3.68Å; W43-I47 HydrophobicContact CG-CG1 4.49Å
44P84.5Confident84.1Confident105 Ų10538.9 Ų38.968%0.68222%0.222SC*.SBendtrans-71.5-13.4-173.727.4-37000115
45K82.8Confident83.5Confident89 Ų8944.3 Ų44.339%0.38724%0.242SC..SBendtrans-111.5150-177.8-60.5178.3178.5175.20110.5E17 W22 W43 I47E17-K45 WeakPolarHBondContact OE1-CD 3.43Å; E17-K45 WeakPolarHBondContact OE1-CE 3.38Å; E17-K45 IonicContact OE1-NZ 3.46Å; E17-K45 PolarHBondContact OE1-NZ 3.43Å; E17-K45 IonicContact OE2-NZ 2.99Å; W22-K45 HydrophobicContact CH2-CB 3.79Å; W22-K45 HydrophobicContact CH2-CD 4.14Å; W22-K45 HydrophobicContact CZ2-CB 4.26Å; W22-K45 HydrophobicContact CZ2-CD 4.35Å; W43-K45 VanDerWaalsContact C-N 3.26Å; W43-K45 PolarHBondContact O-N 3.36Å; K45-I47 PolarHBondContact O-N 3.15Å; K45-I47 VanDerWaalsContact O-N 3.17Å
46P80.5Confident82.7Confident94 Ų9445.7 Ų45.761%0.6125%0.254SS*.  trans-66.1119.5175.726.8-33.5000110.1
47I81.8Confident82.1Confident5 Ų546.1 Ų46.13%0.02626%0.256CS..  trans-116.6127.1174.8-71.3179.2000108.1L13 W22 L24 M26 V40 W43 K45 L49L13-I47 HydrophobicContact CD1-CD1 3.77Å; L13-I47 HydrophobicContact CD2-CD1 3.89Å; L13-I47 HydrophobicContact CG-CD1 4.4Å; W22-I47 HydrophobicContact CH2-CG1 4.18Å; W22-I47 HydrophobicContact CZ3-CG1 4.36Å; L24-I47 WeakPolarHBondContact O-CG2 3.39Å; M26-I47 HydrophobicContact CB-CG2 4.17Å; V40-I47 HydrophobicContact CG1-CB 4.22Å; V40-I47 HydrophobicContact CG2-CB 4.45Å; V40-I47 HydrophobicContact CG2-CG2 4.09Å; W43-I47 HydrophobicContact CB-CD1 4.32Å; W43-I47 HydrophobicContact CD2-CD1 4.25Å; W43-I47 HydrophobicContact CG-CD1 3.68Å; W43-I47 HydrophobicContact CG-CG1 4.49Å; K45-I47 PolarHBondContact O-N 3.15Å; K45-I47 VanDerWaalsContact O-N 3.17Å; I47-L49 PolarHBondContact O-N 3.28Å
48P84.6Confident81.7Confident77 Ų7746.9 Ų46.950%0.526%0.263SS..  trans-60.4126170.921.5-31.3000110.6L24 G25 M26L24-P48 VanDerWaalsContact O-CD 3.27Å; L24-P48 WeakPolarHBondContact O-CD 3.27Å; G25-P48 CarbonylContact C-O 3.48Å; G25-P48 VanDerWaalsContact CA-O 3.31Å; G25-P48 WeakPolarHBondContact CA-O 3.46Å; M26-P48 PolarHBondContact N-O 3.16Å
49L84.8Confident81.4Confident1 Ų147 Ų471%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-115.1129.8179.6179.474.7000110.7M26 A36 S37 V40 I47 P51 V199 L201M26-L49 HydrophobicContact CB-CD1 4.13Å; M26-L49 CarbonylContact O-C 3.56Å; M26-L49 VanDerWaalsContact O-CA 3.25Å; M26-L49 WeakPolarHBondContact O-CA 3.44Å; A36-L49 HydrophobicContact CB-CD1 3.77Å; S37-L49 WeakPolarHBondContact OG-CD2 3.41Å; V40-L49 HydrophobicContact CB-CD1 4.46Å; V40-L49 HydrophobicContact CG1-CB 4.42Å; V40-L49 HydrophobicContact CG2-CB 4.35Å; V40-L49 HydrophobicContact CG2-CD1 3.82Å; I47-L49 PolarHBondContact O-N 3.28Å; L49-P51 HydrophobicContact CD2-CG 4.17Å; L49-P51 HydrophobicContact CG-CG 4.32Å; L49-V199 HydrophobicContact CB-CG1 3.77Å; L49-V199 HydrophobicContact CD2-CG1 3.48Å; L49-V199 VanDerWaalsContact CD2-CG1 3.48Å; L49-V199 HydrophobicContact CG-CG1 4.27Å; L49-L201 HydrophobicContact CD2-CD1 4.21Å
50I85.6Confident80.9Confident70 Ų7048 Ų4836%0.35927%0.271SS..EExtended strand (participates in β ladder)trans-120.388.7172.1-57.6165.7000108.5M26 T27 G28 F202M26-I50 PolarHBondContact O-N 3.09Å; T27-I50 WeakPolarHBondContact CA-O 2.99Å; T27-I50 WeakPolarHBondContact CB-O 3.49Å; T27-I50 PolarHBondContact OG1-O 2.74Å; G28-I50 PolarHBondContact N-O 3.42Å; I50-F202 HydrophobicContact CG1-CB 4.47Å
51P83.9Confident80.6Confident14 Ų1450.2 Ų50.29%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-83.2117.6175.831.1-24.1000109.2L49 L201L49-P51 HydrophobicContact CD2-CG 4.17Å; L49-P51 HydrophobicContact CG-CG 4.32Å; P51-L201 HydrophobicContact CG-CD1 4.12Å; P51-L201 HydrophobicContact CG-CD2 4.14Å; P51-L201 HydrophobicContact CG-CG 3.9Å
52C80.2Confident80.4Confident40 Ų4051.9 Ų51.927%0.2729%0.29SS..EExtended strand (participates in β ladder)trans-100.4130.6179.6-66.10000110.3G28 I29 S30 S54G28-C52 PolarHBondContact O-N 3.13Å; I29-C52 CarbonylContact C-O 3.59Å; I29-C52 VanDerWaalsContact CA-O 3.28Å; I29-C52 WeakPolarHBondContact CA-O 3.5Å; I29-C52 HydrophobicContact CG1-CB 4.13Å; S30-C52 PolarHBondContact N-O 3.11Å; C52-S54 PolarHBondContact O-N 2.84Å
53L81.2Confident80.2Confident107 Ų10748.3 Ų48.356%0.5627%0.271SS*.SBendtrans5325178.1-55.2175.9000114.2I29 S30 L206I29-L53 HydrophobicContact CG2-CD1 4.45Å; S30-L53 WeakPolarHBondContact CA-O 3.23Å; L53-L206 HydrophobicContact CD2-CB 4.46Å
54S78.3Confident79.8Confident32 Ų3252.9 Ų52.922%0.22430%0.301CS..  trans-80.3144.2-177.8-175.60000111.3G33 Y34 C52G33-S54 VanDerWaalsContact C-OG 3.31Å; Y34-S54 WeakPolarHBondContact CA-OG 3.39Å; Y34-S54 WeakPolarHBondContact CB-OG 3.28Å; Y34-S54 PolarHBondContact N-OG 2.94Å; C52-S54 PolarHBondContact O-N 2.84Å
55W70.1Confident79.5Confident135 Ų13549 Ų4951%0.51128%0.281SS..  trans-88.3158.9166-141-94.6000110.7Y34 S60Y34-W55 WeakPolarHBondContact CD2-O 3.13Å; W55-S60 VanDerWaalsContact CD1-OG 3.31Å; W55-S60 VanDerWaalsContact CE2-OG 3.27Å; W55-S60 PolarHBondContact NE1-OG 3.24Å
56S69.6Low79.2Confident46 Ų4649.3 Ų49.332%0.32229%0.289SS..SBendtrans-84.3-12.2175.154.70000113.9H191 M192S56-H191 WeakPolarHBondContact O-CA 3.42Å; S56-M192 PolarHBondContact O-N 3.46Å
57T74.1Confident79.2Confident9 Ų948.2 Ų48.26%0.05528%0.278CS..  trans-157.9154.4-175174.40000110.4S59 D187 T190T57-S59 VanDerWaalsContact C-N 3.34Å; T57-S59 WeakPolarHBondContact CG2-OG 3.3Å; T57-S59 PolarHBondContact OG1-N 3.3Å; T57-S59 VanDerWaalsContact OG1-N 3.08Å; T57-S59 PolarHBondContact OG1-OG 3.27Å; T57-D187 WeakPolarHBondContact CB-OD1 3.34Å; T57-D187 VanDerWaalsContact CG2-OD1 3.3Å; T57-D187 WeakPolarHBondContact CG2-OD1 3.41Å; T57-D187 PolarHBondContact OG1-OD1 3.21Å; T57-T190 PolarHBondContact OG1-OG1 3.47Å
58A78.6Confident79.2Confident20 Ų2049 Ų4917%0.16528%0.284CS..SBendtrans-81.6-11.217200000113.3S60 V61 F62 M186 T190A58-S60 VanDerWaalsContact C-N 3.3Å; A58-S60 PolarHBondContact O-N 2.99Å; A58-V61 WeakPolarHBondContact O-CB 3.4Å; A58-V61 PolarHBondContact O-N 2.81Å; A58-F62 HydrophobicContact CB-CD2 4.38Å; A58-F62 HydrophobicContact CB-CE2 4.29Å; A58-F62 WeakPolarHBondContact O-CD2 3.4Å; A58-F62 PolarHBondContact O-N 2.6Å; A58-M186 HydrophobicContact CB-CE 3.45Å; A58-M186 VanDerWaalsContact CB-CE 3.45Å; A58-T190 HydrophobicContact CB-CG2 4.17Å; A58-T190 PolarHBondContact N-OG1 3.32Å
59S79.3Confident79Confident10 Ų1056.5 Ų56.57%0.0730%0.303CS..Hα-helixtrans-56.4-39.4-173.460.90000113.9T57 V61 F62 T63 D187T57-S59 VanDerWaalsContact C-N 3.34Å; T57-S59 WeakPolarHBondContact CG2-OG 3.3Å; T57-S59 PolarHBondContact OG1-N 3.3Å; T57-S59 VanDerWaalsContact OG1-N 3.08Å; T57-S59 PolarHBondContact OG1-OG 3.27Å; S59-V61 VanDerWaalsContact C-N 3.29Å; S59-V61 PolarHBondContact O-N 3.41Å; S59-F62 PolarHBondContact O-N 2.92Å; S59-T63 WeakPolarHBondContact O-CB 3.46Å; S59-T63 WeakPolarHBondContact O-CG2 3.25Å; S59-T63 PolarHBondContact O-N 2.99Å; S59-T63 PolarHBondContact O-OG1 2.85Å; S59-D187 WeakPolarHBondContact CB-OD1 3.28Å; S59-D187 PolarHBondContact OG-OD1 2.85Å
60S76.8Confident79Confident21 Ų2160.4 Ų60.415%0.14734%0.335CS..Hα-helixtrans-62.3-35.8178.563.60000112.3W55 A58 F62 T64 G65W55-S60 VanDerWaalsContact CD1-OG 3.31Å; W55-S60 VanDerWaalsContact CE2-OG 3.27Å; W55-S60 PolarHBondContact NE1-OG 3.24Å; A58-S60 VanDerWaalsContact C-N 3.3Å; A58-S60 PolarHBondContact O-N 2.99Å; S60-F62 PolarHBondContact O-N 3.05Å; S60-T64 CarbonylContact O-C 3.58Å; S60-T64 PolarHBondContact O-N 3.32Å; S60-T64 VanDerWaalsContact O-N 3.07Å; S60-T64 PolarHBondContact O-OG1 3.5Å; S60-G65 WeakPolarHBondContact O-CA 3.39Å; S60-G65 PolarHBondContact O-N 3.33Å
61V80.1Confident78.8Confident53 Ų5358.5 Ų58.532%0.32133%0.326SS..Hα-helixtrans-68.4-37.8-179.2-176.10000111.3A58 S59 G65 V66 L67 S68A58-V61 WeakPolarHBondContact O-CB 3.4Å; A58-V61 PolarHBondContact O-N 2.81Å; S59-V61 VanDerWaalsContact C-N 3.29Å; S59-V61 PolarHBondContact O-N 3.41Å; V61-G65 CarbonylContact O-C 3.31Å; V61-G65 VanDerWaalsContact O-C 3.31Å; V61-G65 WeakPolarHBondContact O-CA 3.47Å; V61-G65 PolarHBondContact O-N 3.46Å; V61-V66 HydrophobicContact CG1-CG2 4.43Å; V61-L67 HydrophobicContact CG1-CB 4.08Å; V61-L67 HydrophobicContact CG1-CD1 3.7Å; V61-L67 HydrophobicContact CG1-CG 3.72Å; V61-L67 PolarHBondContact O-N 3.35Å; V61-S68 PolarHBondContact O-N 3.14Å
62F80.4Confident79Confident60 Ų6062.8 Ų62.826%0.26335%0.349SS..Hα-helixtrans-86.4-22.4-178.6-73.5-82.8000114.1A58 S59 S60 L67 S68 V71 W73 M182 M186A58-F62 HydrophobicContact CB-CD2 4.38Å; A58-F62 HydrophobicContact CB-CE2 4.29Å; A58-F62 WeakPolarHBondContact O-CD2 3.4Å; A58-F62 PolarHBondContact O-N 2.6Å; S59-F62 PolarHBondContact O-N 2.92Å; S60-F62 PolarHBondContact O-N 3.05Å; F62-L67 HydrophobicContact CD1-CB 4.11Å; F62-L67 HydrophobicContact CD1-CD1 4.38Å; F62-L67 HydrophobicContact CE1-CB 4.26Å; F62-L67 HydrophobicContact CE1-CD1 3.81Å; F62-L67 HydrophobicContact CE2-CD1 4.24Å; F62-L67 HydrophobicContact CZ-CD1 3.73Å; F62-S68 VanDerWaalsContact O-CA 3.27Å; F62-S68 WeakPolarHBondContact O-CA 3.41Å; F62-V71 HydrophobicContact CD1-CG2 4.17Å; F62-W73 WeakPolarHBondContact O-CZ2 3.38Å; F62-M182 HydrophobicContact CB-CE 3.74Å; F62-M182 HydrophobicContact CB-CG 4.35Å; F62-M182 HydrophobicContact CD1-CE 3.88Å; F62-M182 HydrophobicContact CG-CE 3.82Å; F62-M186 HydrophobicContact CD2-CE 3.47Å; F62-M186 VanDerWaalsContact CD2-CE 3.47Å; F62-M186 HydrophobicContact CD2-CG 4.35Å; F62-M186 HydrophobicContact CD2-SD 4.11Å; F62-M186 HydrophobicContact CE2-CE 3.44Å; F62-M186 VanDerWaalsContact CE2-CE 3.44Å; F62-M186 HydrophobicContact CE2-SD 4.37Å; F62-M186 HydrophobicContact CG-CE 4.42Å; F62-M186 HydrophobicContact CZ-CE 4.37Å
63T80.8Confident79.3Confident11 Ų1162.9 Ų62.97%0.06734%0.343CS..Hα-helixtrans-100.5-46.1-176.356.80000113S59 S68 I179 M182 K183S59-T63 WeakPolarHBondContact O-CB 3.46Å; S59-T63 WeakPolarHBondContact O-CG2 3.25Å; S59-T63 PolarHBondContact O-N 2.99Å; S59-T63 PolarHBondContact O-OG1 2.85Å; T63-S68 WeakPolarHBondContact O-CB 3.34Å; T63-I179 HydrophobicContact CG2-CG2 4.34Å; T63-M182 HydrophobicContact CG2-CB 4.01Å; T63-M182 HydrophobicContact CG2-CG 4.05Å; T63-K183 HydrophobicContact CG2-CB 4.42Å; T63-K183 HydrophobicContact CG2-CG 3.43Å; T63-K183 VanDerWaalsContact CG2-CG 3.43Å
64T76.9Confident79.4Confident111 Ų11160.5 Ų60.568%0.68134%0.339SS*.THydrogen-bonded Turntrans-121.4-10.6-178.458.90000113.6S60S60-T64 CarbonylContact O-C 3.58Å; S60-T64 PolarHBondContact O-N 3.32Å; S60-T64 VanDerWaalsContact O-N 3.07Å; S60-T64 PolarHBondContact O-OG1 3.5Å
65G78.3Confident79.8Confident25 Ų2562.6 Ų62.626%0.25835%0.345SS..SBendtrans-89.6-167.7-175.600000114.2S60 V61 L67 S68S60-G65 WeakPolarHBondContact O-CA 3.39Å; S60-G65 PolarHBondContact O-N 3.33Å; V61-G65 CarbonylContact O-C 3.31Å; V61-G65 VanDerWaalsContact O-C 3.31Å; V61-G65 WeakPolarHBondContact O-CA 3.47Å; V61-G65 PolarHBondContact O-N 3.46Å; G65-L67 PolarHBondContact O-N 2.84Å; G65-S68 VanDerWaalsContact O-CB 3.23Å; G65-S68 WeakPolarHBondContact O-CB 3.14Å; G65-S68 PolarHBondContact O-N 3.26Å; G65-S68 PolarHBondContact O-OG 3Å
66V78.3Confident80.4Confident94 Ų9457.6 Ų57.657%0.5733%0.328SS*.THydrogen-bonded Turntrans-62.9-24.6-173.8-64.50000114.3V61V61-V66 HydrophobicContact CG1-CG2 4.43Å
67L79.4Confident81Confident72 Ų7257.8 Ų57.838%0.37732%0.324SS..THydrogen-bonded Turntrans-87.9-8.8177.9-60.6-177.3000112.8V61 F62 G65 R69 A70 V71V61-L67 HydrophobicContact CG1-CB 4.08Å; V61-L67 HydrophobicContact CG1-CD1 3.7Å; V61-L67 HydrophobicContact CG1-CG 3.72Å; V61-L67 PolarHBondContact O-N 3.35Å; F62-L67 HydrophobicContact CD1-CB 4.11Å; F62-L67 HydrophobicContact CD1-CD1 4.38Å; F62-L67 HydrophobicContact CE1-CB 4.26Å; F62-L67 HydrophobicContact CE1-CD1 3.81Å; F62-L67 HydrophobicContact CE2-CD1 4.24Å; F62-L67 HydrophobicContact CZ-CD1 3.73Å; G65-L67 PolarHBondContact O-N 2.84Å; L67-R69 PolarHBondContact O-N 3.3Å; L67-A70 WeakPolarHBondContact O-CB 3.45Å; L67-A70 PolarHBondContact O-N 2.93Å; L67-V71 PolarHBondContact O-N 3.46Å
68S82.1Confident81.5Confident22 Ų2263.4 Ų63.415%0.15435%0.348CS..G310 helixtrans-55.8-35.1176.663.30000112.4V61 F62 T63 G65 A70 V71 W73V61-S68 PolarHBondContact O-N 3.14Å; F62-S68 VanDerWaalsContact O-CA 3.27Å; F62-S68 WeakPolarHBondContact O-CA 3.41Å; T63-S68 WeakPolarHBondContact O-CB 3.34Å; G65-S68 VanDerWaalsContact O-CB 3.23Å; G65-S68 WeakPolarHBondContact O-CB 3.14Å; G65-S68 PolarHBondContact O-N 3.26Å; G65-S68 PolarHBondContact O-OG 3Å; S68-A70 VanDerWaalsContact C-N 3.3Å; S68-A70 PolarHBondContact O-N 3.4Å; S68-V71 PolarHBondContact O-N 2.91Å; S68-W73 PolarHBondContact O-NE1 3.08Å
69R80.9Confident81.5Confident234 Ų23467.1 Ų67.188%0.88336%0.362SS*.G310 helixtrans-76.9-14.6178.4-60.5-174.373.11562.8114L67L67-R69 PolarHBondContact O-N 3.3Å
70A84.1Confident81.3Confident83 Ų8367.5 Ų67.569%0.68636%0.362SS*.G310 helixtrans-86-16.9175.600000112.3L67 S68L67-A70 WeakPolarHBondContact O-CB 3.45Å; L67-A70 PolarHBondContact O-N 2.93Å; S68-A70 VanDerWaalsContact C-N 3.3Å; S68-A70 PolarHBondContact O-N 3.4Å
71V81.8Confident81.1Confident29 Ų2969.6 Ų69.618%0.17638%0.381CS..SBendtrans-79.3127.7175.9-179.20000109.2F62 L67 S68 W73F62-V71 HydrophobicContact CD1-CG2 4.17Å; L67-V71 PolarHBondContact O-N 3.46Å; S68-V71 PolarHBondContact O-N 2.91Å; V71-W73 VanDerWaalsContact C-N 3.34Å; V71-W73 HydrophobicContact CB-CD2 4.35Å; V71-W73 HydrophobicContact CB-CH2 4.33Å; V71-W73 HydrophobicContact CB-CZ2 3.81Å; V71-W73 HydrophobicContact CG1-CD2 4Å; V71-W73 HydrophobicContact CG1-CE3 4.1Å; V71-W73 HydrophobicContact CG1-CH2 4.05Å; V71-W73 HydrophobicContact CG1-CZ2 3.97Å; V71-W73 HydrophobicContact CG1-CZ3 4.12Å; V71-W73 HydrophobicContact CG2-CZ2 4.26Å; V71-W73 VanDerWaalsContact O-CD1 3.24Å; V71-W73 PolarHBondContact O-N 3.29Å; V71-W73 PolarHBondContact O-NE1 3.3Å
72N87.9Confident81.1Confident105 Ų10572.6 Ų72.656%0.56140%0.399SS*.  trans-79.782.9175-172.9-5.8000110.4A74 E75 L76N72-A74 VanDerWaalsContact C-N 3.26Å; N72-A74 PolarHBondContact O-N 3.17Å; N72-A74 PolarHBondContact OD1-N 3.29Å; N72-E75 HydrophobicContact CB-CB 4.34Å; N72-E75 PolarHBondContact O-N 3.32Å; N72-E75 PolarHBondContact OD1-N 2.96Å; N72-L76 PolarHBondContact O-N 3Å; N72-L76 VanDerWaalsContact O-N 3.09Å
73W85.3Confident80.7Confident42 Ų4273 Ų7316%0.15940%0.404CS..Hα-helixtrans-58.5-35.6-179-59.1104.6000113.1F62 S68 V71 E75 L76 E77 I179 M182F62-W73 WeakPolarHBondContact O-CZ2 3.38Å; S68-W73 PolarHBondContact O-NE1 3.08Å; V71-W73 VanDerWaalsContact C-N 3.34Å; V71-W73 HydrophobicContact CB-CD2 4.35Å; V71-W73 HydrophobicContact CB-CH2 4.33Å; V71-W73 HydrophobicContact CB-CZ2 3.81Å; V71-W73 HydrophobicContact CG1-CD2 4Å; V71-W73 HydrophobicContact CG1-CE3 4.1Å; V71-W73 HydrophobicContact CG1-CH2 4.05Å; V71-W73 HydrophobicContact CG1-CZ2 3.97Å; V71-W73 HydrophobicContact CG1-CZ3 4.12Å; V71-W73 HydrophobicContact CG2-CZ2 4.26Å; V71-W73 VanDerWaalsContact O-CD1 3.24Å; V71-W73 PolarHBondContact O-N 3.29Å; V71-W73 PolarHBondContact O-NE1 3.3Å; W73-E75 VanDerWaalsContact C-N 3.31Å; W73-E75 PolarHBondContact O-N 2.95Å; W73-L76 HydrophobicContact CE3-CD2 3.8Å; W73-L76 HydrophobicContact CZ3-CD2 3.81Å; W73-L76 PolarHBondContact O-N 3.47Å; W73-E77 WeakPolarHBondContact O-CB 3.17Å; W73-E77 VanDerWaalsContact O-CG 3.25Å; W73-E77 WeakPolarHBondContact O-CG 3.21Å; W73-E77 PolarHBondContact O-N 3.07Å; W73-I179 HydrophobicContact CE3-CG1 4.46Å; W73-I179 HydrophobicContact CH2-CG1 4.38Å; W73-I179 HydrophobicContact CZ3-CG1 4.09Å; W73-M182 HydrophobicContact CH2-CB 4.31Å; W73-M182 HydrophobicContact CH2-CG 4.29Å; W73-M182 HydrophobicContact CZ3-CB 4.21Å
74A84.3Confident80Confident56 Ų5676.8 Ų76.846%0.46343%0.43SS..Hα-helixtrans-65-35.3-179.700000112.5N72 K78N72-A74 VanDerWaalsContact C-N 3.26Å; N72-A74 PolarHBondContact O-N 3.17Å; N72-A74 PolarHBondContact OD1-N 3.29Å; A74-K78 VanDerWaalsContact O-CG 3.27Å; A74-K78 WeakPolarHBondContact O-CG 3.23Å; A74-K78 PolarHBondContact O-N 2.75Å
75E85.8Confident79.6Confident76 Ų7675.4 Ų75.436%0.35542%0.422SS..Hα-helixtrans-77.8-39.5175.5-171.756.9-152.300111.5N72 W73 E77 K78 Q79N72-E75 HydrophobicContact CB-CB 4.34Å; N72-E75 PolarHBondContact O-N 3.32Å; N72-E75 PolarHBondContact OD1-N 2.96Å; W73-E75 VanDerWaalsContact C-N 3.31Å; W73-E75 PolarHBondContact O-N 2.95Å; E75-E77 VanDerWaalsContact C-N 3.33Å; E75-E77 PolarHBondContact O-N 3.38Å; E75-K78 PolarHBondContact O-N 3.1Å; E75-K78 IonicContact OE2-NZ 3.5Å; E75-Q79 WeakPolarHBondContact O-CG 3.37Å; E75-Q79 PolarHBondContact O-N 2.93Å; E75-Q79 PolarHBondContact OE1-NE2 3.48Å
76L82.8Confident79Confident31 Ų3178.6 Ų78.616%0.16243%0.427CS..Hα-helixtrans-58.8-44.8175.5-166.578.1000111.5N72 W73 Q79 Y80 F181N72-L76 PolarHBondContact O-N 3Å; N72-L76 VanDerWaalsContact O-N 3.09Å; W73-L76 HydrophobicContact CE3-CD2 3.8Å; W73-L76 HydrophobicContact CZ3-CD2 3.81Å; W73-L76 PolarHBondContact O-N 3.47Å; L76-Q79 PolarHBondContact O-N 3.19Å; L76-Y80 VanDerWaalsContact O-CB 3.25Å; L76-Y80 WeakPolarHBondContact O-CB 3.23Å; L76-Y80 PolarHBondContact O-N 3.43Å; L76-F181 HydrophobicContact CD1-CD1 4.33Å; L76-F181 HydrophobicContact CD1-CE1 4.09Å; L76-F181 HydrophobicContact CD2-CD1 4.44Å
77E83.2Confident78.2Confident50 Ų5077.7 Ų77.723%0.23442%0.416CS..Hα-helixtrans-64.3-38.6177.4-74.6172.1-154.600112.1W73 E75 A81 H175W73-E77 WeakPolarHBondContact O-CB 3.17Å; W73-E77 VanDerWaalsContact O-CG 3.25Å; W73-E77 WeakPolarHBondContact O-CG 3.21Å; W73-E77 PolarHBondContact O-N 3.07Å; E75-E77 VanDerWaalsContact C-N 3.33Å; E75-E77 PolarHBondContact O-N 3.38Å; E77-A81 VanDerWaalsContact O-CB 3.27Å; E77-A81 WeakPolarHBondContact O-CB 3.47Å; E77-A81 PolarHBondContact O-N 3.44Å; E77-H175 WeakPolarHBondContact OE1-CA 3.43Å; E77-H175 WeakPolarHBondContact OE1-CB 3.46Å; E77-H175 IonicContact OE1-CE1 2.73Å; E77-H175 IonicContact OE1-CG 2.8Å; E77-H175 IonicContact OE1-ND1 3.05Å; E77-H175 PolarHBondContact OE1-ND1 3.25Å
78K83.6Confident77.5Confident126 Ų12678.3 Ų78.355%0.54842%0.423SS..Hα-helixtrans-64.6-47.5174.1-73.6171.7-169.3172.70111.5A74 E75 Y80 A81 V82A74-K78 VanDerWaalsContact O-CG 3.27Å; A74-K78 WeakPolarHBondContact O-CG 3.23Å; A74-K78 PolarHBondContact O-N 2.75Å; E75-K78 PolarHBondContact O-N 3.1Å; E75-K78 IonicContact OE2-NZ 3.5Å; K78-Y80 VanDerWaalsContact C-N 3.27Å; K78-Y80 PolarHBondContact O-N 3.15Å; K78-A81 PolarHBondContact O-N 3.45Å; K78-V82 WeakPolarHBondContact O-CB 3.23Å; K78-V82 WeakPolarHBondContact O-CG2 3.27Å; K78-V82 PolarHBondContact O-N 3.44Å
79Q79.8Confident76.7Confident98 Ų9882 Ų8246%0.45844%0.438SS..Hα-helixtrans-63.7-36.8179.9-70.91781.200112E75 L76 N83E75-Q79 WeakPolarHBondContact O-CG 3.37Å; E75-Q79 PolarHBondContact O-N 2.93Å; E75-Q79 PolarHBondContact OE1-NE2 3.48Å; L76-Q79 PolarHBondContact O-N 3.19Å; Q79-N83 PolarHBondContact O-N 3.21Å; Q79-N83 PolarHBondContact O-ND2 2.62Å
80Y73.8Confident75.8Confident18 Ų1870.9 Ų70.97%0.07140%0.396CS..Hα-helixtrans-64.7-46.9172.4-177-83.7000111.4L76 K78 V82 N83 I90 L174 E177L76-Y80 VanDerWaalsContact O-CB 3.25Å; L76-Y80 WeakPolarHBondContact O-CB 3.23Å; L76-Y80 PolarHBondContact O-N 3.43Å; K78-Y80 VanDerWaalsContact C-N 3.27Å; K78-Y80 PolarHBondContact O-N 3.15Å; Y80-V82 VanDerWaalsContact C-N 3.32Å; Y80-V82 PolarHBondContact O-N 2.54Å; Y80-N83 PolarHBondContact O-N 2.93Å; Y80-I90 HydrophobicContact CD2-CD1 3.55Å; Y80-I90 HydrophobicContact CE2-CB 4.28Å; Y80-I90 HydrophobicContact CE2-CD1 3.16Å; Y80-I90 HydrophobicContact CE2-CG1 4.24Å; Y80-I90 HydrophobicContact CE2-CG2 4.12Å; Y80-L174 HydrophobicContact CD1-CD2 4.17Å; Y80-L174 HydrophobicContact CE1-CD2 4.18Å; Y80-E177 HydrophobicContact CE1-CB 4.17Å; Y80-E177 WeakPolarHBondContact CE1-OE2 3.36Å; Y80-E177 HydrophobicContact CE2-CB 4.4Å; Y80-E177 PolarHBondContact OH-OE2 3.33Å
81A74.1Confident74.8Confident66 Ų6671.7 Ų71.755%0.54539%0.387SS..Hα-helixtrans-67.8-28.5-179.600000113.8E77 K78E77-A81 VanDerWaalsContact O-CB 3.27Å; E77-A81 WeakPolarHBondContact O-CB 3.47Å; E77-A81 PolarHBondContact O-N 3.44Å; K78-A81 PolarHBondContact O-N 3.45Å
82V79.1Confident73.9Confident116 Ų11677.4 Ų77.470%0.70341%0.41SS*.Hα-helixtrans-80.3-29.1-178.9170.20000112.4K78 Y80K78-V82 WeakPolarHBondContact O-CB 3.23Å; K78-V82 WeakPolarHBondContact O-CG2 3.27Å; K78-V82 PolarHBondContact O-N 3.44Å; Y80-V82 VanDerWaalsContact C-N 3.32Å; Y80-V82 PolarHBondContact O-N 2.54Å
83N72.6Confident72.5Confident68 Ų6874.4 Ų74.436%0.36439%0.394SS..  trans-111.2101.6-173.4-69.9-64.3000111.6Q79 Y80 V85 Y86Q79-N83 PolarHBondContact O-N 3.21Å; Q79-N83 PolarHBondContact O-ND2 2.62Å; Y80-N83 PolarHBondContact O-N 2.93Å; N83-V85 PolarHBondContact O-N 3.17Å; N83-V85 VanDerWaalsContact O-N 3.11Å; N83-Y86 HydrophobicContact CB-CD2 3.35Å; N83-Y86 HydrophobicContact CB-CE2 3.53Å; N83-Y86 HydrophobicContact CB-CG 4.31Å; N83-Y86 PolarHBondContact O-N 3.49Å; N83-Y86 VanDerWaalsContact O-N 3.12Å
84S66.9Low71Confident90 Ų9075.4 Ų75.463%0.62940%0.402SS*.Hα-helixtrans-63.6-15.6177.3610000114.5Y86 T88S84-Y86 VanDerWaalsContact C-N 3.3Å; S84-T88 PolarHBondContact O-OG1 2.75Å
85V68.3Low69.7Low82 Ų8280.3 Ų80.350%0.49742%0.415SS..Hα-helixtrans-65.6-36.2174.7-177.90000110.9N83 T88 E89N83-V85 PolarHBondContact O-N 3.17Å; N83-V85 VanDerWaalsContact O-N 3.11Å; V85-T88 PolarHBondContact O-N 3.41Å; V85-T88 PolarHBondContact O-OG1 3.03Å; V85-T88 VanDerWaalsContact O-OG1 3.1Å; V85-E89 PolarHBondContact O-N 3.39Å
86Y64.1Low68Low93 Ų9385.1 Ų85.137%0.36543%0.431SS..Hα-helixtrans-70.2-39.4179.5-65.9-45.8000111.6N83 S84 T88 E89 I90N83-Y86 HydrophobicContact CB-CD2 3.35Å; N83-Y86 HydrophobicContact CB-CE2 3.53Å; N83-Y86 HydrophobicContact CB-CG 4.31Å; N83-Y86 PolarHBondContact O-N 3.49Å; N83-Y86 VanDerWaalsContact O-N 3.12Å; S84-Y86 VanDerWaalsContact C-N 3.3Å; Y86-T88 PolarHBondContact O-N 2.78Å; Y86-E89 PolarHBondContact O-N 3.25Å; Y86-I90 WeakPolarHBondContact O-CA 3.35Å; Y86-I90 WeakPolarHBondContact O-CB 3.39Å; Y86-I90 WeakPolarHBondContact O-CD1 3.19Å; Y86-I90 WeakPolarHBondContact O-CG1 3.16Å; Y86-I90 PolarHBondContact O-N 3.5Å
87E63.1Low66.2Low75 Ų7585.1 Ų85.135%0.3543%0.434SS..Hα-helixtrans-56.2-39.8177.4-171.6174.2-163.300111.9I91 R171E87-I91 HydrophobicContact CG-CD1 4.45Å; E87-I91 WeakPolarHBondContact O-CD1 3.34Å; E87-I91 VanDerWaalsContact O-CG1 3.25Å; E87-I91 WeakPolarHBondContact O-CG1 3.15Å; E87-I91 PolarHBondContact O-N 3.47Å; E87-I91 VanDerWaalsContact O-N 3.11Å; E87-R171 IonicContact OE1-NH2 2.69Å; E87-R171 PolarHBondContact OE1-NH2 3.03Å
88T64.7Low64.4Low84 Ų8485.3 Ų85.352%0.51545%0.449SS..Hα-helixtrans-78.1-34.3-178.830.30000114S84 V85 Y86 K92S84-T88 PolarHBondContact O-OG1 2.75Å; V85-T88 PolarHBondContact O-N 3.41Å; V85-T88 PolarHBondContact O-OG1 3.03Å; V85-T88 VanDerWaalsContact O-OG1 3.1Å; Y86-T88 PolarHBondContact O-N 2.78Å; T88-K92 WeakPolarHBondContact O-CG 3.34Å
89E64.4Low62.5Low100 Ų10081.9 Ų81.947%0.46745%0.445SS..Hα-helixtrans-73.3-33.4171.7-70.8-178.716900111.7V85 Y86 K92 L93V85-E89 PolarHBondContact O-N 3.39Å; Y86-E89 PolarHBondContact O-N 3.25Å; E89-K92 WeakPolarHBondContact O-CB 2.96Å; E89-K92 PolarHBondContact O-N 3.07Å; E89-L93 WeakPolarHBondContact O-CG 3.46Å; E89-L93 PolarHBondContact O-N 2.96Å
90I62.1Low60.8Low1 Ų179.7 Ų79.71%0.00544%0.436CS..Hα-helixtrans-77.3-33.1-175-70.3162.6000111.6Y80 Y86 K92 L93 L94 F181Y80-I90 HydrophobicContact CD2-CD1 3.55Å; Y80-I90 HydrophobicContact CE2-CB 4.28Å; Y80-I90 HydrophobicContact CE2-CD1 3.16Å; Y80-I90 HydrophobicContact CE2-CG1 4.24Å; Y80-I90 HydrophobicContact CE2-CG2 4.12Å; Y86-I90 WeakPolarHBondContact O-CA 3.35Å; Y86-I90 WeakPolarHBondContact O-CB 3.39Å; Y86-I90 WeakPolarHBondContact O-CD1 3.19Å; Y86-I90 WeakPolarHBondContact O-CG1 3.16Å; Y86-I90 PolarHBondContact O-N 3.5Å; I90-K92 VanDerWaalsContact C-N 3.26Å; I90-K92 PolarHBondContact O-N 3.02Å; I90-L93 PolarHBondContact O-N 3.45Å; I90-L94 HydrophobicContact CG2-CD1 3.79Å; I90-L94 HydrophobicContact CG2-CG 4.18Å; I90-L94 WeakPolarHBondContact O-CB 3.1Å; I90-L94 VanDerWaalsContact O-CG 3.28Å; I90-L94 WeakPolarHBondContact O-CG 3.3Å; I90-L94 PolarHBondContact O-N 3.33Å; I90-F181 HydrophobicContact CD1-CB 3.93Å; I90-F181 HydrophobicContact CD1-CD2 3.26Å; I90-F181 HydrophobicContact CD1-CE2 3.91Å; I90-F181 HydrophobicContact CD1-CG 3.77Å; I90-F181 HydrophobicContact CG1-CB 4.37Å; I90-F181 HydrophobicContact CG1-CD2 3.62Å; I90-F181 HydrophobicContact CG1-CE2 4.36Å; I90-F181 HydrophobicContact CG1-CG 4.38Å
91I63.5Low59.4Low99 Ų9983.1 Ų83.151%0.50846%0.463SS..Hα-helixtrans-57.7-42.6167.5-70.7163.4000110.4E87 L94 E95E87-I91 HydrophobicContact CG-CD1 4.45Å; E87-I91 WeakPolarHBondContact O-CD1 3.34Å; E87-I91 VanDerWaalsContact O-CG1 3.25Å; E87-I91 WeakPolarHBondContact O-CG1 3.15Å; E87-I91 PolarHBondContact O-N 3.47Å; E87-I91 VanDerWaalsContact O-N 3.11Å; I91-L94 PolarHBondContact O-N 3.04Å; I91-E95 WeakPolarHBondContact O-CB 3.47Å; I91-E95 PolarHBondContact O-N 3.22Å
92K62.3Low57.9Low149 Ų14987.8 Ų87.865%0.64847%0.471SS*.Hα-helixtrans-69.3-41.3179.3-63.5172.8-176173.80112.2T88 E89 I90 E95 Y96T88-K92 WeakPolarHBondContact O-CG 3.34Å; E89-K92 WeakPolarHBondContact O-CB 2.96Å; E89-K92 PolarHBondContact O-N 3.07Å; I90-K92 VanDerWaalsContact C-N 3.26Å; I90-K92 PolarHBondContact O-N 3.02Å; K92-E95 PolarHBondContact O-N 2.7Å; K92-Y96 PolarHBondContact O-N 3.08Å
93L58.4Low56.1Low43 Ų4388 Ų8823%0.22546%0.462CS..Hα-helixtrans-69-34.1175.1-72.1169.1000112E89 I90 Y96 C97E89-L93 WeakPolarHBondContact O-CG 3.46Å; E89-L93 PolarHBondContact O-N 2.96Å; I90-L93 PolarHBondContact O-N 3.45Å; L93-Y96 PolarHBondContact O-N 3.31Å; L93-C97 WeakPolarHBondContact O-CB 3.3Å; L93-C97 PolarHBondContact O-N 3.47Å; L93-C97 PolarHBondContact O-SG 3.36Å
94L55.2Low54.5Low63 Ų6390.8 Ų90.833%0.3348%0.475SS..Hα-helixtrans-70.1-33.7173.3-87169.8000112.6I90 I91 Y96 G98I90-L94 HydrophobicContact CG2-CD1 3.79Å; I90-L94 HydrophobicContact CG2-CG 4.18Å; I90-L94 WeakPolarHBondContact O-CB 3.1Å; I90-L94 VanDerWaalsContact O-CG 3.28Å; I90-L94 WeakPolarHBondContact O-CG 3.3Å; I90-L94 PolarHBondContact O-N 3.33Å; I91-L94 PolarHBondContact O-N 3.04Å; L94-Y96 VanDerWaalsContact C-N 3.33Å; L94-G98 WeakPolarHBondContact O-CA 3.4Å; L94-G98 PolarHBondContact O-N 3.09Å
95E55.5Low53.2Low158 Ų15888.5 Ų88.574%0.73847%0.465SS*.Hα-helixtrans-70.5-34.4173.9-165.4164.3-160.400110.8I91 K92I91-E95 WeakPolarHBondContact O-CB 3.47Å; I91-E95 PolarHBondContact O-N 3.22Å; K92-E95 PolarHBondContact O-N 2.7Å
96Y49.8Very low52Low177 Ų17787.4 Ų87.469%0.69446%0.459SS*.Hα-helixtrans-74.2-44.9173-174.4-103.1000113.4K92 L93 L94K92-Y96 PolarHBondContact O-N 3.08Å; L93-Y96 PolarHBondContact O-N 3.31Å; L94-Y96 VanDerWaalsContact C-N 3.33Å
97C46.2Very low50.8Low31 Ų3188.1 Ų88.121%0.20947%0.465CS..Hα-helixtrans-85.2-10.6179.5-71.70000113.9L93 A99 D100L93-C97 WeakPolarHBondContact O-CB 3.3Å; L93-C97 PolarHBondContact O-N 3.47Å; L93-C97 PolarHBondContact O-SG 3.36Å; C97-A99 CarbonylContact O-C 3.42Å; C97-A99 PolarHBondContact O-N 3.03Å; C97-D100 PolarHBondContact O-N 3.22Å
98G44.1Very low49.8Very low55 Ų5590.1 Ų90.157%0.56748%0.478SS*.THydrogen-bonded Turntrans-66.1-14.9178.300000113.4L94 D100L94-G98 WeakPolarHBondContact O-CA 3.4Å; L94-G98 PolarHBondContact O-N 3.09Å; G98-D100 PolarHBondContact O-N 2.81Å
99A45.2Very low48.5Very low54 Ų5491.5 Ų91.545%0.44648%0.479SS..SBendtrans-76.566155.900000109.5C97 S101C97-A99 CarbonylContact O-C 3.42Å; C97-A99 PolarHBondContact O-N 3.03Å; A99-S101 PolarHBondContact O-N 2.84Å
100D43.7Very low47.6Very low51 Ų5195 Ų9527%0.27349%0.487SS..  trans-46.2102.6169.7-94.5-41.5000107.8C97 G98 F102 K103 M104C97-D100 PolarHBondContact O-N 3.22Å; G98-D100 PolarHBondContact O-N 2.81Å; D100-F102 PolarHBondContact O-N 3.4Å; D100-K103 HydrophobicContact CB-CB 3.58Å; D100-K103 HydrophobicContact CB-CD 3.98Å; D100-K103 HydrophobicContact CB-CG 3.66Å; D100-K103 CarbonylContact O-C 3.59Å; D100-K103 WeakPolarHBondContact O-CA 3.45Å; D100-K103 PolarHBondContact O-N 3.37Å; D100-K103 WeakPolarHBondContact OD2-CD 3.42Å; D100-K103 WeakPolarHBondContact OD2-CE 3.27Å; D100-K103 IonicContact OD2-NZ 2.71Å; D100-K103 PolarHBondContact OD2-NZ 3.12Å; D100-M104 PolarHBondContact O-N 3.24Å
101S45.3Very low46.8Very low91 Ų9199.8 Ų99.864%0.63651%0.513SS*.Hα-helixtrans-61.3-21.6-177.7-41.30000111.5A99A99-S101 PolarHBondContact O-N 2.84Å
102F40.8Very low46.4Very low164 Ų16498.9 Ų98.972%0.71951%0.512SS*.Hα-helixtrans-77.7-37.2172.5-154.8-94.9000112.9D100 T106D100-F102 PolarHBondContact O-N 3.4Å; F102-T106 PolarHBondContact O-N 2.55Å; F102-T106 PolarHBondContact O-OG1 3.34Å
103K42.6Very low45.6Very low120 Ų12095.6 Ų95.652%0.52250%0.502SS..Hα-helixtrans-75.2-36174.6-69.7-171.7-174.5140.50111.6D100 G105 T106 E107D100-K103 HydrophobicContact CB-CB 3.58Å; D100-K103 HydrophobicContact CB-CD 3.98Å; D100-K103 HydrophobicContact CB-CG 3.66Å; D100-K103 CarbonylContact O-C 3.59Å; D100-K103 WeakPolarHBondContact O-CA 3.45Å; D100-K103 PolarHBondContact O-N 3.37Å; D100-K103 WeakPolarHBondContact OD2-CD 3.42Å; D100-K103 WeakPolarHBondContact OD2-CE 3.27Å; D100-K103 IonicContact OD2-NZ 2.71Å; D100-K103 PolarHBondContact OD2-NZ 3.12Å; K103-G105 PolarHBondContact O-N 3.33Å; K103-T106 WeakPolarHBondContact CA-OG1 3.34Å; K103-T106 CarbonylContact O-C 3.54Å; K103-T106 PolarHBondContact O-N 3.3Å; K103-T106 PolarHBondContact O-OG1 3.13Å; K103-E107 VanDerWaalsContact O-CB 3.24Å; K103-E107 WeakPolarHBondContact O-CB 3.36Å; K103-E107 PolarHBondContact O-N 3.17Å
104M38.6Very low45.3Very low127 Ų12797 Ų9763%0.62652%0.515SS*.Hα-helixtrans-54.2-39.3172.4-103-172.4172.600111.6D100 L108D100-M104 PolarHBondContact O-N 3.24Å; M104-L108 WeakPolarHBondContact O-CA 3.25Å; M104-L108 WeakPolarHBondContact O-CB 3.36Å; M104-L108 PolarHBondContact O-N 2.81Å
105G39.3Very low45.1Very low41 Ų4199 Ų9942%0.42353%0.526SS..Hα-helixtrans-62.7-45.4174.300000113.2K103 Q109K103-G105 PolarHBondContact O-N 3.33Å; G105-Q109 WeakPolarHBondContact O-CB 3.21Å; G105-Q109 PolarHBondContact O-N 3.21Å
106T43.4Very low44.8Very low60 Ų6093.4 Ų93.437%0.36851%0.51SS..Hα-helixtrans-78.1-29.4178.839.40000114.5F102 K103 R110F102-T106 PolarHBondContact O-N 2.55Å; F102-T106 PolarHBondContact O-OG1 3.34Å; K103-T106 WeakPolarHBondContact CA-OG1 3.34Å; K103-T106 CarbonylContact O-C 3.54Å; K103-T106 PolarHBondContact O-N 3.3Å; K103-T106 PolarHBondContact O-OG1 3.13Å; T106-R110 VanDerWaalsContact O-CB 3.23Å; T106-R110 WeakPolarHBondContact O-CB 3.47Å; T106-R110 WeakPolarHBondContact O-CG 3.31Å; T106-R110 PolarHBondContact O-N 2.5Å
107E39.3Very low44.7Very low108 Ų10891.5 Ų91.551%0.50551%0.511SS..Hα-helixtrans-75.2-39.9175.8-151.289.2-168.200109.3K103 N111K103-E107 VanDerWaalsContact O-CB 3.24Å; K103-E107 WeakPolarHBondContact O-CB 3.36Å; K103-E107 PolarHBondContact O-N 3.17Å; E107-N111 WeakPolarHBondContact O-CB 3.2Å; E107-N111 PolarHBondContact O-N 2.96Å; E107-N111 PolarHBondContact O-ND2 3.29Å
108L41.4Very low44.8Very low116 Ų11696.7 Ų96.761%0.60754%0.537SS*.Hα-helixtrans-66.1-44.1170.9-170.275.3000110.5M104 N111 V112M104-L108 WeakPolarHBondContact O-CA 3.25Å; M104-L108 WeakPolarHBondContact O-CB 3.36Å; M104-L108 PolarHBondContact O-N 2.81Å; L108-N111 PolarHBondContact O-N 3.09Å; L108-V112 HydrophobicContact CG-CG2 4.36Å; L108-V112 VanDerWaalsContact O-CB 3.29Å; L108-V112 WeakPolarHBondContact O-CB 3.44Å; L108-V112 WeakPolarHBondContact O-CG2 3.45Å; L108-V112 PolarHBondContact O-N 3.29Å
109Q36.6Very low44.9Very low114 Ų114100.3 Ų100.353%0.53354%0.542SS..Hα-helixtrans-61-46.8174.9-167.376.943.100111.2G105 N111 V112 D113G105-Q109 WeakPolarHBondContact O-CB 3.21Å; G105-Q109 PolarHBondContact O-N 3.21Å; Q109-N111 PolarHBondContact O-N 2.94Å; Q109-V112 PolarHBondContact O-N 3.18Å; Q109-D113 WeakPolarHBondContact O-CB 3.25Å; Q109-D113 PolarHBondContact O-N 3.36Å
110R46.1Very low44.7Very low173 Ų173100.5 Ų100.565%0.65355%0.549SS*.Hα-helixtrans-64.7-38.1176.2-80.1177.1171.8137.2-0.4112.7T106 S114T106-R110 VanDerWaalsContact O-CB 3.23Å; T106-R110 WeakPolarHBondContact O-CB 3.47Å; T106-R110 WeakPolarHBondContact O-CG 3.31Å; T106-R110 PolarHBondContact O-N 2.5Å; R110-S114 WeakPolarHBondContact O-CB 3.35Å; R110-S114 PolarHBondContact O-N 3.31Å
111N46.7Very low44.7Very low101 Ų101106.2 Ų106.254%0.5458%0.579SS.*Hα-helixtrans-70.6-34.2175.1-77.3-36.7000111.4E107 L108 Q109 L115E107-N111 WeakPolarHBondContact O-CB 3.2Å; E107-N111 PolarHBondContact O-N 2.96Å; E107-N111 PolarHBondContact O-ND2 3.29Å; L108-N111 PolarHBondContact O-N 3.09Å; Q109-N111 PolarHBondContact O-N 2.94Å; N111-L115 WeakPolarHBondContact O-CB 3.41Å; N111-L115 PolarHBondContact O-N 3.19Å
112V53.6Low44.1Very low80 Ų80106.3 Ų106.349%0.48559%0.585SS.*Hα-helixtrans-71.9-39.5174.4172.30000111.2L108 Q109 L115 G116L108-V112 HydrophobicContact CG-CG2 4.36Å; L108-V112 VanDerWaalsContact O-CB 3.29Å; L108-V112 WeakPolarHBondContact O-CB 3.44Å; L108-V112 WeakPolarHBondContact O-CG2 3.45Å; L108-V112 PolarHBondContact O-N 3.29Å; Q109-V112 PolarHBondContact O-N 3.18Å; V112-L115 PolarHBondContact O-N 2.78Å; V112-G116 PolarHBondContact O-N 3.01Å
113D46.5Very low43.5Very low81 Ų81102.2 Ų102.243%0.43359%0.589SS.*Hα-helixtrans-69.2-38.9174.5-64-26.2000110.6Q109 G116 N117Q109-D113 WeakPolarHBondContact O-CB 3.25Å; Q109-D113 PolarHBondContact O-N 3.36Å; D113-G116 PolarHBondContact O-N 3.33Å; D113-N117 WeakPolarHBondContact O-CB 3.43Å; D113-N117 PolarHBondContact O-N 2.82Å; D113-N117 PolarHBondContact O-ND2 3.36Å
114S51Low42.8Very low72 Ų72101 Ų10150%0.50360%0.602SS.*Hα-helixtrans-72.2-33.1175.9-162.60000112.3R110 L118R110-S114 WeakPolarHBondContact O-CB 3.35Å; R110-S114 PolarHBondContact O-N 3.31Å; S114-L118 WeakPolarHBondContact O-CB 3.49Å; S114-L118 PolarHBondContact O-N 2.66Å
115L51.4Low42.1Very low106 Ų106103 Ų10356%0.55561%0.614SS**Hα-helixtrans-74.2-35.9172.3-161.877.6000110.8N111 V112 N117 L118 L119N111-L115 WeakPolarHBondContact O-CB 3.41Å; N111-L115 PolarHBondContact O-N 3.19Å; V112-L115 PolarHBondContact O-N 2.78Å; L115-N117 VanDerWaalsContact C-N 3.34Å; L115-L118 PolarHBondContact O-N 2.86Å; L115-L119 HydrophobicContact CD2-CD1 4.31Å; L115-L119 HydrophobicContact CG-CD1 3.99Å; L115-L119 WeakPolarHBondContact O-CB 3.42Å; L115-L119 PolarHBondContact O-N 3.43Å
116G48.5Very low41.7Very low39 Ų39106.3 Ų106.340%0.40263%0.628SS.*Hα-helixtrans-63.7-37.2172.300000112.6V112 D113 L118 G120V112-G116 PolarHBondContact O-N 3.01Å; D113-G116 PolarHBondContact O-N 3.33Å; G116-L118 VanDerWaalsContact C-N 3.33Å; G116-G120 PolarHBondContact O-N 3.34Å; G116-G120 VanDerWaalsContact O-N 3.17Å
117N49.2Very low41.4Very low137 Ų137111.2 Ų111.273%0.73365%0.651SS**Hα-helixtrans-72.4-26.1173.2-68.9-21.5000112.9D113 L115D113-N117 WeakPolarHBondContact O-CB 3.43Å; D113-N117 PolarHBondContact O-N 2.82Å; D113-N117 PolarHBondContact O-ND2 3.36Å; L115-N117 VanDerWaalsContact C-N 3.34Å
118L47.9Very low40.7Very low141 Ų141114.8 Ų114.874%0.73866%0.664SS**Hα-helixtrans-84.7-27.5177.1-152.1141.7000112.3S114 L115 G116 G120S114-L118 WeakPolarHBondContact O-CB 3.49Å; S114-L118 PolarHBondContact O-N 2.66Å; L115-L118 PolarHBondContact O-N 2.86Å; G116-L118 VanDerWaalsContact C-N 3.33Å; L118-G120 VanDerWaalsContact C-N 3.33Å
119L46.7Very low40Very low130 Ų130116.3 Ų116.368%0.68167%0.673SS**SBendtrans-84.2-3.9171.6-84.6151.9000113.5L115 L121L115-L119 HydrophobicContact CD2-CD1 4.31Å; L115-L119 HydrophobicContact CG-CD1 3.99Å; L115-L119 WeakPolarHBondContact O-CB 3.42Å; L115-L119 PolarHBondContact O-N 3.43Å; L119-L121 PolarHBondContact O-N 3.3Å
120G39.9Very low40Very low58 Ų58114.6 Ų114.660%0.59869%0.686SS**SBendtrans-7710.3-176.800000116.6G116 L118G116-G120 PolarHBondContact O-N 3.34Å; G116-G120 VanDerWaalsContact O-N 3.17Å; L118-G120 VanDerWaalsContact C-N 3.33Å
121L44.2Very low38.8Very low171 Ų171117.8 Ų117.890%0.89570%0.698SS**SBendtrans-137.852.2-179.5-101.9157.6000112.7L119L119-L121 PolarHBondContact O-N 3.3Å
122A32.5Very low37.8Very low93 Ų93123.2 Ų123.277%0.76972%0.717SS**SBendtrans-177.499.3142.500000112.4
123G28.1Very low36.3Very low78 Ų78125.3 Ų125.380%0.80473%0.73SS**  trans54.596.3135.200000122.1
124A29Very low35.1Very low95 Ų95128.5 Ų128.579%0.78574%0.74SS**  trans38.5118.5131.300000122.7
125L22.9Very low33.9Very low168 Ų168131.4 Ų131.488%0.8875%0.754SS**  154.8162.2123.2-87.5164.6000112.8
126P31.1Very low32.5Very low112 Ų112133 Ų13373%0.72776%0.759SS**  -100.8163.6-126.540-36.5000116.2
127I37.3Very low31.3Very low163 Ų163137.7 Ų137.784%0.83678%0.78SS**  trans-17128.8164.1-58.2171.1000115.3
128K25.2Very low30Very low182 Ų182140.2 Ų140.279%0.79179%0.787SS**  trans-167.3140.4136.5-106.6171.6-170.8-1700114.4
129D25.9Very low28.9Very low149 Ų149139.3 Ų139.380%0.79779%0.792SS**  trans78.2122155.5-59.2-38.9000120.9
130G35.7Very low27.7Very low77 Ų77141.8 Ų141.879%0.79480%0.801SS**  trans-65.5140.2179.200000113.3
131R22.6Very low26.9Very low240 Ų240145.7 Ų145.791%0.90681%0.813SS**  trans-151.8125.4153.4-115.3177-163.6-153.53110
132F25.2Very low25.8Very low215 Ų215140.5 Ų140.594%0.94380%0.8SS**  trans-61.8126.5165.8-119.9-105.2000108.7
133V22.7Very low25.3Very low125 Ų125141.3 Ų141.376%0.75880%0.8SS**  trans-100.1107.8166178.10000107.8V135V133-V135 HydrophobicContact CG1-CG2 4.29Å
134K21.2Very low25Very low147 Ų147142.2 Ų142.264%0.63979%0.794SS**  trans-71124.9167.3-174.9-171.9-177.7-152.20107.7E136K134-E136 WeakPolarHBondContact CE-OE1 3.43Å; K134-E136 WeakPolarHBondContact CE-OE2 3.32Å; K134-E136 IonicContact NZ-OE1 2.56Å; K134-E136 PolarHBondContact NZ-OE1 3.38Å; K134-E136 IonicContact NZ-OE2 3.54Å; K134-E136 PolarHBondContact NZ-OE2 3.06Å
135V24.6Very low24.7Very low133 Ų133144.1 Ų144.181%0.80679%0.79SS**  trans-111113.2166.6177.90000107V133V133-V135 HydrophobicContact CG1-CG2 4.29Å
136E21.9Very low24.8Very low141 Ų141145.3 Ų145.366%0.65979%0.789SS**  trans-99.3132.5-177.7-151.8156.4-152.600108.3K134 Q138K134-E136 WeakPolarHBondContact CE-OE1 3.43Å; K134-E136 WeakPolarHBondContact CE-OE2 3.32Å; K134-E136 IonicContact NZ-OE1 2.56Å; K134-E136 PolarHBondContact NZ-OE1 3.38Å; K134-E136 IonicContact NZ-OE2 3.54Å; K134-E136 PolarHBondContact NZ-OE2 3.06Å; E136-Q138 PolarHBondContact O-N 2.96Å
137T24Very low24.4Very low136 Ų136144.9 Ų144.983%0.83479%0.789SS**  trans-73.5115.6-177.7-47.90000110.8
138Q22.2Very low23.8Very low191 Ų191142.8 Ų142.889%0.89379%0.789SS**  trans-155.2129.5154.5-69.4-163.8-7.700111.4E136E136-Q138 PolarHBondContact O-N 2.96Å
139S23.6Very low23.7Very low121 Ų121137.5 Ų137.585%0.84679%0.785SS**  trans-164.1104.5132.4-170.60000110
140E22.3Very low23.7Very low183 Ų183142.1 Ų142.186%0.85579%0.792SS**  trans-88134.6149-74-166.6149.800108.7
141V22.3Very low23Very low140 Ų140144.7 Ų144.785%0.84879%0.792SS**  trans40.4119.8140-172.20000119.5
142G21Very low23.2Very low61 Ų61140 Ų14063%0.62979%0.79SS**  126.4123.6126.700000118.8
143S23.1Very low23.1Very low111 Ų111136.2 Ų136.278%0.77679%0.785SS**  trans86100.4138.2-15.80000120.6
144S21.9Very low23.2Very low96 Ų96133.6 Ų133.667%0.67178%0.782SS**  51.7127.8119.869.60000121.9
145L22.6Very low23.4Very low136 Ų136132.8 Ų132.871%0.71279%0.79SS**  157.3126.1106.5-77.9169.4000112.8
146F23.8Very low23.4Very low192 Ų192133.6 Ų133.684%0.84279%0.788SS**  trans42.7140.2148.8-58.4-66.7000121.7
147S24.4Very low23.6Very low104 Ų104133.2 Ų133.273%0.72780%0.796SS**  -168.9143.252.6-166.50000114.5
148S24.6Very low23.8Very low119 Ų119133.5 Ų133.583%0.83280%0.797SS**  trans46.4119.5143.9-79.30000123.9
149G21.8Very low24.1Very low70 Ų70127.2 Ų127.272%0.72278%0.783SS**  124.495.8100.200000117.7
150R25.5Very low24.1Very low247 Ų247130.5 Ų130.593%0.93279%0.785SS**  177.1117.3122.7-104.1173.7155.2-178.4-6.7111.9
151T21.8Very low24.3Very low130 Ų130133.2 Ų133.280%0.79879%0.788SS**  trans-80.1128.2173.2-44.40000109.9
152V26.6Very low24.5Very low142 Ų142136.4 Ų136.486%0.86179%0.79SS**  trans-126.5117.1157.5176.20000107.4
153T23.2Very low24.8Very low136 Ų136141.4 Ų141.483%0.83479%0.794SS**  trans-73.1122.9-179.6-44.60000109.9
154G25.5Very low25Very low69 Ų69145.1 Ų145.171%0.71180%0.802SS**  trans-142.9118.8174.600000110.6
155T24.3Very low25.2Very low131 Ų131147 Ų14780%0.80480%0.804SS**  trans-45134.6-169.3-470000116.8T157T155-T157 PolarHBondContact O-N 3.31Å
156I25.9Very low25.8Very low149 Ų149144.8 Ų144.876%0.76480%0.8SS**  trans-67.3114.9171.3-61.7172.4000109.5V158I156-V158 HydrophobicContact CG2-CG2 3.84Å
157T25.9Very low26.3Very low133 Ų133144.5 Ų144.582%0.81680%0.801SS**  trans-119.1102.5157.345.60000108.6T155T155-T157 PolarHBondContact O-N 3.31Å
158V28.4Very low26.7Very low142 Ų142148 Ų14886%0.86180%0.803SS**  trans-75.8118.2168.9172.90000107.3I156I156-V158 HydrophobicContact CG2-CG2 3.84Å
159G26.7Very low27.2Very low59 Ų59147.8 Ų147.861%0.60880%0.801SS**  trans153.569165.600000116.8
160H23.7Very low28.1Very low191 Ų191149.4 Ų149.488%0.88480%0.8SS**  -177103.4124-104.275000109.5K162H160-K162 VanDerWaalsContact C-N 3.32Å; H160-K162 PolarHBondContact O-N 3.25Å
161R27.1Very low29.1Very low240 Ų240146.1 Ų146.191%0.90679%0.787SS**  trans-62.389.3171.2-171.4-178.5-162.9171.94.8108.6K163R161-K163 VanDerWaalsContact C-N 3.35Å; R161-K163 PolarHBondContact O-N 3.32Å
162K27Very low30.9Very low206 Ų206142.9 Ų142.990%0.89677%0.769SS**  trans-68.499.9166.4-156.9172.9-173.3176.50106.4H160 M164H160-K162 VanDerWaalsContact C-N 3.32Å; H160-K162 PolarHBondContact O-N 3.25Å; K162-M164 PolarHBondContact O-N 2.94Å
163K26.3Very low32.9Very low167 Ų167139.3 Ų139.373%0.72675%0.75SS**  trans-44.1108.9171.8-96175.9171.2174.40108.4R161 N165R161-K163 VanDerWaalsContact C-N 3.35Å; R161-K163 PolarHBondContact O-N 3.32Å; K163-N165 PolarHBondContact O-N 3.06Å
164M27.7Very low35.3Very low188 Ų188136.7 Ų136.793%0.92673%0.73SS**  trans-63.492.6152.6-111.4153.564.600105K162 S166K162-M164 PolarHBondContact O-N 2.94Å; M164-S166 VanDerWaalsContact C-N 3.33Å; M164-S166 PolarHBondContact O-N 3.41Å
165N27.4Very low37.8Very low135 Ų135137.2 Ų137.272%0.72271%0.714SS**  trans-65.6102.3173.8-80.2-23.5000106.5K163K163-N165 PolarHBondContact O-N 3.06Å
166S34.4Very low40.3Very low90 Ų90134 Ų13463%0.62970%0.695SS**  trans32.9101.8141.3-173.30000112.7M164 K168M164-S166 VanDerWaalsContact C-N 3.33Å; M164-S166 PolarHBondContact O-N 3.41Å; S166-K168 PolarHBondContact O-N 2.89Å
167H34.2Very low42.7Very low187 Ų187127.9 Ų127.987%0.86666%0.663SS**  trans-51.295.9140.9-72.4-90.3000105.1C169H167-C169 PolarHBondContact O-N 3.36Å
168K31.8Very low45.2Very low176 Ų176121.6 Ų121.677%0.76562%0.624SS**  trans-59.888.2152.9-82.4-179.4175.4179.50102.7S166 C170S166-K168 PolarHBondContact O-N 2.89Å; K168-C170 PolarHBondContact O-N 2.93Å
169C35.8Very low47.6Very low116 Ų116116.5 Ų116.578%0.78459%0.592SS**  trans-57.493151.4-172.90000102.2H167 R171H167-C169 PolarHBondContact O-N 3.36Å; C169-R171 PolarHBondContact O-N 3.19Å
170C41Very low50.1Low104 Ų104115.1 Ų115.170%0.70357%0.573SS**  trans-58.2102.7175.1-73.40000103.3K168 P172K168-C170 PolarHBondContact O-N 2.93Å; C170-P172 WeakPolarHBondContact O-CD 3.46Å
171R47.1Very low52.7Low178 Ų178108.3 Ų108.367%0.67254%0.54SS*.PPolyproline II helixtrans-48.3119.7172.2-163.4-178.5-176.5178.54.3104.3E87 C169 S173E87-R171 IonicContact OE1-NH2 2.69Å; E87-R171 PolarHBondContact OE1-NH2 3.03Å; C169-R171 PolarHBondContact O-N 3.19Å; R171-S173 PolarHBondContact O-N 2.93Å
172P58.4Low55.3Low62 Ų6298.2 Ų98.240%0.40350%0.504SS..PPolyproline II helixtrans-52.4140.3-178.5-18.327.6000107C170 L174 T176 E177C170-P172 WeakPolarHBondContact O-CD 3.46Å; P172-L174 PolarHBondContact O-N 3.22Å; P172-T176 HydrophobicContact CB-CG2 4.02Å; P172-E177 HydrophobicContact CB-CG 3.82Å; P172-E177 HydrophobicContact CG-CG 4.31Å
173S70Confident57.8Low66 Ų6691.5 Ų91.546%0.46248%0.475SS..PPolyproline II helixtrans-55.1147.4173.6560000108.2R171 H175 T176 E177R171-S173 PolarHBondContact O-N 2.93Å; S173-H175 CarbonylContact O-C 3.53Å; S173-H175 PolarHBondContact O-N 2.89Å; S173-T176 WeakPolarHBondContact O-CA 3.18Å; S173-T176 WeakPolarHBondContact O-CB 3.27Å; S173-T176 PolarHBondContact O-N 3.31Å; S173-T176 PolarHBondContact OG-N 3.49Å; S173-T176 PolarHBondContact OG-OG1 2.96Å; S173-E177 PolarHBondContact O-N 2.76Å; S173-E177 VanDerWaalsContact O-N 3.14Å
174L72.6Confident60.2Low82 Ų8283.6 Ų83.643%0.42944%0.441SS..Hα-helixtrans-48.1-33.8175.1-72.7173.1000111.5Y80 P172 E177 S178Y80-L174 HydrophobicContact CD1-CD2 4.17Å; Y80-L174 HydrophobicContact CE1-CD2 4.18Å; P172-L174 PolarHBondContact O-N 3.22Å; L174-E177 PolarHBondContact O-N 3.37Å; L174-S178 VanDerWaalsContact O-CB 3.32Å; L174-S178 WeakPolarHBondContact O-CB 3.17Å; L174-S178 PolarHBondContact O-N 2.74Å; L174-S178 PolarHBondContact O-OG 2.77Å
175H77.6Confident62.7Low79 Ų7976.8 Ų76.837%0.36641%0.41SS..Hα-helixtrans-57.4-48.9171.1-168.161.7000114E77 S173 E177 S178 I179E77-H175 WeakPolarHBondContact OE1-CA 3.43Å; E77-H175 WeakPolarHBondContact OE1-CB 3.46Å; E77-H175 IonicContact OE1-CE1 2.73Å; E77-H175 IonicContact OE1-CG 2.8Å; E77-H175 IonicContact OE1-ND1 3.05Å; E77-H175 PolarHBondContact OE1-ND1 3.25Å; S173-H175 CarbonylContact O-C 3.53Å; S173-H175 PolarHBondContact O-N 2.89Å; H175-E177 VanDerWaalsContact C-N 3.33Å; H175-E177 PolarHBondContact O-N 3.05Å; H175-S178 PolarHBondContact O-N 3.35Å; H175-S178 PolarHBondContact O-OG 2.86Å; H175-I179 WeakPolarHBondContact NE2-CD1 3.28Å; H175-I179 WeakPolarHBondContact O-CG1 3Å; H175-I179 PolarHBondContact O-N 3.24Å
176T76.3Confident65.1Low65 Ų6571.8 Ų71.840%0.39938%0.382SS..Hα-helixtrans-65.1-38.1179-53.40000111.7P172 S173 S180P172-T176 HydrophobicContact CB-CG2 4.02Å; S173-T176 WeakPolarHBondContact O-CA 3.18Å; S173-T176 WeakPolarHBondContact O-CB 3.27Å; S173-T176 PolarHBondContact O-N 3.31Å; S173-T176 PolarHBondContact OG-N 3.49Å; S173-T176 PolarHBondContact OG-OG1 2.96Å; T176-S180 WeakPolarHBondContact O-CB 3.11Å; T176-S180 PolarHBondContact O-N 3.46Å; T176-S180 VanDerWaalsContact O-N 3.08Å; T176-S180 PolarHBondContact O-OG 3.27Å
177E77.3Confident67.1Low20 Ų2069.2 Ų69.29%0.09336%0.361CS..Hα-helixtrans-66.4-44.3175.4-58.3-172.4172.300111Y80 P172 S173 L174 H175 I179 S180 F181Y80-E177 HydrophobicContact CE1-CB 4.17Å; Y80-E177 WeakPolarHBondContact CE1-OE2 3.36Å; Y80-E177 HydrophobicContact CE2-CB 4.4Å; Y80-E177 PolarHBondContact OH-OE2 3.33Å; P172-E177 HydrophobicContact CB-CG 3.82Å; P172-E177 HydrophobicContact CG-CG 4.31Å; S173-E177 PolarHBondContact O-N 2.76Å; S173-E177 VanDerWaalsContact O-N 3.14Å; L174-E177 PolarHBondContact O-N 3.37Å; H175-E177 VanDerWaalsContact C-N 3.33Å; H175-E177 PolarHBondContact O-N 3.05Å; E177-I179 PolarHBondContact O-N 3.32Å; E177-S180 WeakPolarHBondContact O-CB 3.06Å; E177-S180 PolarHBondContact O-N 3.01Å; E177-S180 VanDerWaalsContact O-N 3.09Å; E177-F181 PolarHBondContact O-N 3.01Å
178S77.5Confident69Low0 Ų066.2 Ų66.20%035%0.348CS..Hα-helixtrans-64.2-36.4177.677.90000113.4L174 H175 S180 F181 M182L174-S178 VanDerWaalsContact O-CB 3.32Å; L174-S178 WeakPolarHBondContact O-CB 3.17Å; L174-S178 PolarHBondContact O-N 2.74Å; L174-S178 PolarHBondContact O-OG 2.77Å; H175-S178 PolarHBondContact O-N 3.35Å; H175-S178 PolarHBondContact O-OG 2.86Å; S178-S180 VanDerWaalsContact C-N 3.33Å; S178-F181 WeakPolarHBondContact O-CB 3.16Å; S178-M182 PolarHBondContact O-N 2.94Å
179I80.7Confident70.8Confident36 Ų3661.8 Ų61.819%0.18534%0.338CS..Hα-helixtrans-63.8-43.4172-74.6171.6000110T63 W73 H175 E177 F181 M182 K183T63-I179 HydrophobicContact CG2-CG2 4.34Å; W73-I179 HydrophobicContact CE3-CG1 4.46Å; W73-I179 HydrophobicContact CH2-CG1 4.38Å; W73-I179 HydrophobicContact CZ3-CG1 4.09Å; H175-I179 WeakPolarHBondContact NE2-CD1 3.28Å; H175-I179 WeakPolarHBondContact O-CG1 3Å; H175-I179 PolarHBondContact O-N 3.24Å; E177-I179 PolarHBondContact O-N 3.32Å; I179-F181 VanDerWaalsContact C-N 3.34Å; I179-M182 PolarHBondContact O-N 2.85Å; I179-K183 WeakPolarHBondContact O-CG 3.44Å; I179-K183 PolarHBondContact O-N 3.43Å
180S77.9Confident72.5Confident30 Ų3057.3 Ų57.321%0.2131%0.307CS..Hα-helixtrans-68.6-36.7-178-56.70000112T176 E177 S178 K183 G184T176-S180 WeakPolarHBondContact O-CB 3.11Å; T176-S180 PolarHBondContact O-N 3.46Å; T176-S180 VanDerWaalsContact O-N 3.08Å; T176-S180 PolarHBondContact O-OG 3.27Å; E177-S180 WeakPolarHBondContact O-CB 3.06Å; E177-S180 PolarHBondContact O-N 3.01Å; E177-S180 VanDerWaalsContact O-N 3.09Å; S178-S180 VanDerWaalsContact C-N 3.33Å; S180-K183 WeakPolarHBondContact O-CB 3.5Å; S180-K183 PolarHBondContact O-N 3.4Å; S180-G184 PolarHBondContact O-N 3.39Å
181F79Confident74.2Confident47 Ų4754.1 Ų54.121%0.20628%0.282CS..Hα-helixtrans-56.9-53.2169.1169.1-111.5000111.7L76 I90 E177 S178 I179 K183 G184 V185L76-F181 HydrophobicContact CD1-CD1 4.33Å; L76-F181 HydrophobicContact CD1-CE1 4.09Å; L76-F181 HydrophobicContact CD2-CD1 4.44Å; I90-F181 HydrophobicContact CD1-CB 3.93Å; I90-F181 HydrophobicContact CD1-CD2 3.26Å; I90-F181 HydrophobicContact CD1-CE2 3.91Å; I90-F181 HydrophobicContact CD1-CG 3.77Å; I90-F181 HydrophobicContact CG1-CB 4.37Å; I90-F181 HydrophobicContact CG1-CD2 3.62Å; I90-F181 HydrophobicContact CG1-CE2 4.36Å; I90-F181 HydrophobicContact CG1-CG 4.38Å; E177-F181 PolarHBondContact O-N 3.01Å; S178-F181 WeakPolarHBondContact O-CB 3.16Å; I179-F181 VanDerWaalsContact C-N 3.34Å; F181-K183 PolarHBondContact O-N 2.87Å; F181-G184 PolarHBondContact O-N 3.14Å; F181-V185 HydrophobicContact CD2-CG2 3.8Å; F181-V185 HydrophobicContact CE1-CG2 4.13Å; F181-V185 HydrophobicContact CE2-CG2 3.37Å; F181-V185 HydrophobicContact CG-CG2 4.4Å; F181-V185 HydrophobicContact CZ-CG2 3.57Å; F181-V185 WeakPolarHBondContact O-CG2 3.21Å; F181-V185 PolarHBondContact O-N 2.8Å
182M81.8Confident75.4Confident28 Ų2848.1 Ų48.114%0.13826%0.262CS..Hα-helixtrans-61.4-34.4-179.9-171.161.9-174.700111.5F62 T63 W73 S178 I179 M186F62-M182 HydrophobicContact CB-CE 3.74Å; F62-M182 HydrophobicContact CB-CG 4.35Å; F62-M182 HydrophobicContact CD1-CE 3.88Å; F62-M182 HydrophobicContact CG-CE 3.82Å; T63-M182 HydrophobicContact CG2-CB 4.01Å; T63-M182 HydrophobicContact CG2-CG 4.05Å; W73-M182 HydrophobicContact CH2-CB 4.31Å; W73-M182 HydrophobicContact CH2-CG 4.29Å; W73-M182 HydrophobicContact CZ3-CB 4.21Å; S178-M182 PolarHBondContact O-N 2.94Å; I179-M182 PolarHBondContact O-N 2.85Å; M182-M186 HydrophobicContact CE-CG 3.68Å; M182-M186 HydrophobicContact CE-SD 3.65Å; M182-M186 HydrophobicContact CG-CG 4.43Å; M182-M186 WeakPolarHBondContact O-CB 3.23Å; M182-M186 WeakPolarHBondContact O-CG 3.21Å; M182-M186 PolarHBondContact O-N 2.77Å; M182-M186 VanDerWaalsContact O-N 3.12Å; M182-M186 HydrophobicContact SD-CG 4.25Å
183K80Confident75.8Confident65 Ų6549 Ų4928%0.28327%0.274SS..Hα-helixtrans-62-51.1171.5-73.1-179.9178.7179.70111.8T63 I179 S180 F181 M186 D187T63-K183 HydrophobicContact CG2-CB 4.42Å; T63-K183 HydrophobicContact CG2-CG 3.43Å; T63-K183 VanDerWaalsContact CG2-CG 3.43Å; I179-K183 WeakPolarHBondContact O-CG 3.44Å; I179-K183 PolarHBondContact O-N 3.43Å; S180-K183 WeakPolarHBondContact O-CB 3.5Å; S180-K183 PolarHBondContact O-N 3.4Å; F181-K183 PolarHBondContact O-N 2.87Å; K183-M186 PolarHBondContact O-N 3.09Å; K183-D187 VanDerWaalsContact O-CB 3.31Å; K183-D187 WeakPolarHBondContact O-CB 3.48Å; K183-D187 VanDerWaalsContact O-CG 3.32Å; K183-D187 PolarHBondContact O-N 3.4Å
184G75.9Confident75.5Confident2 Ų249.2 Ų49.22%0.02127%0.271CS..Hα-helixtrans-57.8-50.2179.700000112.5S180 F181 M186 D187 E188S180-G184 PolarHBondContact O-N 3.39Å; F181-G184 PolarHBondContact O-N 3.14Å; G184-M186 VanDerWaalsContact C-N 3.33Å; G184-M186 PolarHBondContact O-N 3.08Å; G184-D187 PolarHBondContact O-N 2.83Å; G184-E188 WeakPolarHBondContact O-CB 3.1Å; G184-E188 PolarHBondContact O-N 3.41Å
185V79.7Confident75.2Confident45 Ų4548.3 Ų48.327%0.27326%0.263SS..Hα-helixtrans-59.1-45179.2172.30000111.5F181 C189F181-V185 HydrophobicContact CD2-CG2 3.8Å; F181-V185 HydrophobicContact CE1-CG2 4.13Å; F181-V185 HydrophobicContact CE2-CG2 3.37Å; F181-V185 HydrophobicContact CG-CG2 4.4Å; F181-V185 HydrophobicContact CZ-CG2 3.57Å; F181-V185 WeakPolarHBondContact O-CG2 3.21Å; F181-V185 PolarHBondContact O-N 2.8Å; V185-C189 WeakPolarHBondContact O-CB 3.49Å; V185-C189 PolarHBondContact O-N 2.84Å; V185-C189 PolarHBondContact O-SG 2.75Å
186M78.7Confident73.9Confident29 Ų2950.2 Ų50.214%0.14329%0.286CS..Hα-helixtrans-70.5-40.1179.4-66.4-59-56.800111.4A58 F62 M182 K183 G184 C189 T190A58-M186 HydrophobicContact CB-CE 3.45Å; A58-M186 VanDerWaalsContact CB-CE 3.45Å; F62-M186 HydrophobicContact CD2-CE 3.47Å; F62-M186 VanDerWaalsContact CD2-CE 3.47Å; F62-M186 HydrophobicContact CD2-CG 4.35Å; F62-M186 HydrophobicContact CD2-SD 4.11Å; F62-M186 HydrophobicContact CE2-CE 3.44Å; F62-M186 VanDerWaalsContact CE2-CE 3.44Å; F62-M186 HydrophobicContact CE2-SD 4.37Å; F62-M186 HydrophobicContact CG-CE 4.42Å; F62-M186 HydrophobicContact CZ-CE 4.37Å; M182-M186 HydrophobicContact CE-CG 3.68Å; M182-M186 HydrophobicContact CE-SD 3.65Å; M182-M186 HydrophobicContact CG-CG 4.43Å; M182-M186 WeakPolarHBondContact O-CB 3.23Å; M182-M186 WeakPolarHBondContact O-CG 3.21Å; M182-M186 PolarHBondContact O-N 2.77Å; M182-M186 VanDerWaalsContact O-N 3.12Å; M182-M186 HydrophobicContact SD-CG 4.25Å; K183-M186 PolarHBondContact O-N 3.09Å; G184-M186 VanDerWaalsContact C-N 3.33Å; G184-M186 PolarHBondContact O-N 3.08Å; M186-C189 PolarHBondContact O-N 3.22Å; M186-T190 HydrophobicContact CE-CG2 4.1Å; M186-T190 WeakPolarHBondContact O-CA 2.98Å; M186-T190 WeakPolarHBondContact O-CB 3.24Å; M186-T190 WeakPolarHBondContact O-CG2 3.08Å; M186-T190 PolarHBondContact O-N 2.88Å; M186-T190 PolarHBondContact O-OG1 3.48Å
187D76.3Confident72.7Confident36 Ų3649 Ų4919%0.19329%0.286CS..Hα-helixtrans-66.3-43.2177.7-76.4-7.6000111.3T57 S59 K183 G184 C189 T190 H191 N194T57-D187 WeakPolarHBondContact CB-OD1 3.34Å; T57-D187 VanDerWaalsContact CG2-OD1 3.3Å; T57-D187 WeakPolarHBondContact CG2-OD1 3.41Å; T57-D187 PolarHBondContact OG1-OD1 3.21Å; S59-D187 WeakPolarHBondContact CB-OD1 3.28Å; S59-D187 PolarHBondContact OG-OD1 2.85Å; K183-D187 VanDerWaalsContact O-CB 3.31Å; K183-D187 WeakPolarHBondContact O-CB 3.48Å; K183-D187 VanDerWaalsContact O-CG 3.32Å; K183-D187 PolarHBondContact O-N 3.4Å; G184-D187 PolarHBondContact O-N 2.83Å; D187-C189 VanDerWaalsContact C-N 3.28Å; D187-C189 PolarHBondContact O-N 3.37Å; D187-T190 PolarHBondContact O-N 3.42Å; D187-H191 HydrophobicContact CB-CB 4.37Å; D187-H191 WeakPolarHBondContact O-CA 3.18Å; D187-H191 WeakPolarHBondContact O-CB 3.14Å; D187-H191 PolarHBondContact O-N 2.76Å; D187-N194 PolarHBondContact O-ND2 2.79Å
188E74.1Confident70.8Confident124 Ų12456.2 Ų56.258%0.57932%0.319SS*.Hα-helixtrans-57.4-43.7175.1-172.9-177.7-178.900111.6G184 N194G184-E188 WeakPolarHBondContact O-CB 3.1Å; G184-E188 PolarHBondContact O-N 3.41Å; E188-N194 PolarHBondContact O-ND2 3.29Å
189C68.5Low69.3Low83 Ų8358.2 Ų58.256%0.56133%0.332SS*.Hα-helixtrans-83.6-22.7-176.5-65.40000114.1V185 M186 D187V185-C189 WeakPolarHBondContact O-CB 3.49Å; V185-C189 PolarHBondContact O-N 2.84Å; V185-C189 PolarHBondContact O-SG 2.75Å; M186-C189 PolarHBondContact O-N 3.22Å; D187-C189 VanDerWaalsContact C-N 3.28Å; D187-C189 PolarHBondContact O-N 3.37Å
190T72.1Confident67.3Low22 Ų2264.7 Ų64.714%0.13536%0.359CS..Hα-helixtrans-133.2-6.5-165760000114.5Y34 T57 A58 M186 D187 M192Y34-T190 VanDerWaalsContact CE2-O 3.23Å; Y34-T190 WeakPolarHBondContact CE2-O 3.2Å; Y34-T190 VanDerWaalsContact OH-C 3.26Å; Y34-T190 VanDerWaalsContact OH-CA 3.23Å; Y34-T190 WeakPolarHBondContact OH-CA 3.38Å; Y34-T190 WeakPolarHBondContact OH-CB 3.5Å; Y34-T190 PolarHBondContact OH-O 3.3Å; T57-T190 PolarHBondContact OG1-OG1 3.47Å; A58-T190 HydrophobicContact CB-CG2 4.17Å; A58-T190 PolarHBondContact N-OG1 3.32Å; M186-T190 HydrophobicContact CE-CG2 4.1Å; M186-T190 WeakPolarHBondContact O-CA 2.98Å; M186-T190 WeakPolarHBondContact O-CB 3.24Å; M186-T190 WeakPolarHBondContact O-CG2 3.08Å; M186-T190 PolarHBondContact O-N 2.88Å; M186-T190 PolarHBondContact O-OG1 3.48Å; D187-T190 PolarHBondContact O-N 3.42Å; T190-M192 PolarHBondContact O-N 3.41Å
191H76.2Confident65.7Low38 Ų3867.9 Ų67.918%0.17637%0.373CS..  trans-68.2128.9-178.4-164.3-88.7000111.1S56 D187 A193 N194 F195S56-H191 WeakPolarHBondContact O-CA 3.42Å; D187-H191 HydrophobicContact CB-CB 4.37Å; D187-H191 WeakPolarHBondContact O-CA 3.18Å; D187-H191 WeakPolarHBondContact O-CB 3.14Å; D187-H191 PolarHBondContact O-N 2.76Å; H191-A193 WeakPolarHBondContact ND1-CB 3.42Å; H191-A193 PolarHBondContact ND1-N 3.11Å; H191-A193 VanDerWaalsContact ND1-N 3.17Å; H191-A193 PolarHBondContact O-N 3.27Å; H191-A193 VanDerWaalsContact O-N 3.13Å; H191-N194 VanDerWaalsContact O-CB 3.3Å; H191-N194 WeakPolarHBondContact O-CB 3.25Å; H191-N194 PolarHBondContact O-N 3.12Å; H191-F195 WeakPolarHBondContact O-CD2 3.35Å
192M71.9Confident63.7Low51 Ų5172.6 Ų72.625%0.25139%0.394SS..G310 helixtrans-58.7-29.4-177.2-69.8-165.2-61.300113Y34 S37 S56 T190 N194 F195Y34-M192 HydrophobicContact CD2-CG 3.87Å; Y34-M192 HydrophobicContact CD2-SD 4.2Å; Y34-M192 HydrophobicContact CE2-CG 3.72Å; S37-M192 VanDerWaalsContact CB-SD 3.51Å; S56-M192 PolarHBondContact O-N 3.46Å; T190-M192 PolarHBondContact O-N 3.41Å; M192-N194 PolarHBondContact O-N 3.1Å; M192-F195 PolarHBondContact O-N 3.23Å; M192-F195 VanDerWaalsContact O-N 3.09Å
193A66.8Low61.4Low80 Ų8074.2 Ų74.266%0.66142%0.418SS*.G310 helixtrans-64.5-18.817700000113.5H191 F195H191-A193 WeakPolarHBondContact ND1-CB 3.42Å; H191-A193 PolarHBondContact ND1-N 3.11Å; H191-A193 VanDerWaalsContact ND1-N 3.17Å; H191-A193 PolarHBondContact O-N 3.27Å; H191-A193 VanDerWaalsContact O-N 3.13Å; A193-F195 PolarHBondContact O-N 3.23Å
194N64.9Low59Low72 Ų7281 Ų8139%0.38544%0.441SS..G310 helixtrans-76.1-10.6177.5-57.1-5.9000111.5D187 E188 H191 M192D187-N194 PolarHBondContact O-ND2 2.79Å; E188-N194 PolarHBondContact O-ND2 3.29Å; H191-N194 VanDerWaalsContact O-CB 3.3Å; H191-N194 WeakPolarHBondContact O-CB 3.25Å; H191-N194 PolarHBondContact O-N 3.12Å; M192-N194 PolarHBondContact O-N 3.1Å
195F66.6Low56.6Low63 Ų6391.2 Ų91.228%0.27649%0.485SS..SBendtrans-106.6104.4178.9-57.4-87.6000109L38 T41 H191 M192 A193 G197L38-F195 HydrophobicContact CD2-CD1 4.18Å; L38-F195 HydrophobicContact CD2-CD2 3.38Å; L38-F195 HydrophobicContact CD2-CE1 4.14Å; L38-F195 HydrophobicContact CD2-CE2 3.34Å; L38-F195 HydrophobicContact CD2-CG 3.82Å; L38-F195 HydrophobicContact CD2-CZ 3.74Å; T41-F195 HydrophobicContact CG2-CB 4.15Å; H191-F195 WeakPolarHBondContact O-CD2 3.35Å; M192-F195 PolarHBondContact O-N 3.23Å; M192-F195 VanDerWaalsContact O-N 3.09Å; A193-F195 PolarHBondContact O-N 3.23Å; F195-G197 PolarHBondContact O-N 2.91Å
196S49.2Very low54.2Low119 Ų11995 Ų9583%0.83250%0.504SS*.  trans-75.1113176.848.70000110.4
197G51.6Low51.7Low39 Ų3996.9 Ų96.940%0.40253%0.53SS..  trans-164.1140.7176.400000111.9F195 V199F195-G197 PolarHBondContact O-N 2.91Å; G197-V199 PolarHBondContact O-N 3.2Å
198Q36.9Very low49.4Very low171 Ų171107.2 Ų107.280%0.79957%0.567SS**  trans-72.188.1178.8-63.2178.715.400109.8
199V46Very low47.1Very low42 Ų42106.4 Ų106.426%0.25558%0.575SS.*  trans-104.1114178.3-170.60000109.5V40 T41 L49 G197 L201V40-V199 HydrophobicContact CG1-CG2 4.31Å; T41-V199 HydrophobicContact CG2-CG2 3.65Å; L49-V199 HydrophobicContact CB-CG1 3.77Å; L49-V199 HydrophobicContact CD2-CG1 3.48Å; L49-V199 VanDerWaalsContact CD2-CG1 3.48Å; L49-V199 HydrophobicContact CG-CG1 4.27Å; G197-V199 PolarHBondContact O-N 3.2Å; V199-L201 HydrophobicContact CB-CD1 4.41Å; V199-L201 HydrophobicContact CG1-CD1 3.68Å; V199-L201 PolarHBondContact O-N 2.86Å; V199-L201 VanDerWaalsContact O-N 3.15Å
200F39.9Very low45.6Very low173 Ų173110.2 Ų110.276%0.75958%0.584SS**  trans-7796.1164.4-91-88.4000108.5
201L42.9Very low43.4Very low96 Ų96116.4 Ų116.450%0.50362%0.616SS.*BIsolated β-bridgetrans-80.3118.4177.6-128.792.9000110.1L49 P51 V199L49-L201 HydrophobicContact CD2-CD1 4.21Å; P51-L201 HydrophobicContact CG-CD1 4.12Å; P51-L201 HydrophobicContact CG-CD2 4.14Å; P51-L201 HydrophobicContact CG-CG 3.9Å; V199-L201 HydrophobicContact CB-CD1 4.41Å; V199-L201 HydrophobicContact CG1-CD1 3.68Å; V199-L201 PolarHBondContact O-N 2.86Å; V199-L201 VanDerWaalsContact O-N 3.15Å
202F37.5Very low41.5Very low147 Ų147123.8 Ų123.865%0.64564%0.643SS**  trans-97.495.3161.1-104.6-94000108.6I50I50-F202 HydrophobicContact CG1-CB 4.47Å
203G33.1Very low39.4Very low62 Ų62126.4 Ų126.464%0.63967%0.666SS**  trans-86.4118.3-179.200000112.7
204W30.2Very low37.8Very low206 Ų206125.4 Ų125.478%0.7866%0.657SS**  trans-99.1114.9162.7-88.158000109.2L206W204-L206 PolarHBondContact O-N 2.69Å
205K25.5Very low36.1Very low217 Ų217126.1 Ų126.194%0.94366%0.66SS**  trans-90.494.5174.9-168.2168.4-175.2175.80108.6
206L29.4Very low34.7Very low126 Ų126124.8 Ų124.866%0.6666%0.658SS**PPolyproline II helixtrans-95.9133.8174.5-154.473.3000110.2L53 W204L53-L206 HydrophobicContact CD2-CB 4.46Å; W204-L206 PolarHBondContact O-N 2.69Å
207G26.7Very low34.3Very low68 Ų68119.4 Ų119.470%0.70162%0.619SS**PPolyproline II helixtrans-60.4148.7-179.200000113.3S209G207-S209 PolarHBondContact O-N 3.03Å
208R27.8Very low34Very low253 Ų253118.5 Ų118.596%0.95561%0.606SS**PPolyproline II helixtrans-46128.5-179.3-84179.2176157-2.4112.8
209S26Very low34.7Very low107 Ų107112 Ų11275%0.74858%0.576SS**  trans-126.6126.2143.971.50000108.7G207 D211G207-S209 PolarHBondContact O-N 3.03Å; S209-D211 PolarHBondContact O-N 3.04Å; S209-D211 VanDerWaalsContact O-N 3.1Å
210E35.7Very low35.1Very low162 Ų162110.4 Ų110.476%0.75757%0.566SS**  trans-72.493173.3-73.7177.8114.600109.1
211D26.9Very low35.7Very low153 Ų153106.2 Ų106.282%0.81855%0.545SS*.  trans-138115.3156.1-93.3-38.7000109.6S209 S213S209-D211 PolarHBondContact O-N 3.04Å; S209-D211 VanDerWaalsContact O-N 3.1Å; D211-S213 PolarHBondContact O-N 2.84Å
212R36.5Very low36Very low193 Ų193106.3 Ų106.373%0.72854%0.539SS*.  trans-8895.3-168.4-75.7-179.9-106.2-130.5-9.5109.8
213S26.6Very low36.2Very low105 Ų105109.2 Ų109.273%0.73455%0.546SS*.  trans-145.5108.8158.1-66.40000107.5D211 M215D211-S213 PolarHBondContact O-N 2.84Å; S213-M215 VanDerWaalsContact C-N 3.28Å; S213-M215 PolarHBondContact O-N 2.92Å
214A33Very low36.4Very low59 Ų59108.7 Ų108.749%0.48853%0.528SS..  trans-72.187.8174.700000108.4
215M30.7Very low36.6Very low88 Ų88103.7 Ų103.743%0.43353%0.525SS..  trans-88.6110.1175.1-150.5151.88000108S213 D217 R247S213-M215 VanDerWaalsContact C-N 3.28Å; S213-M215 PolarHBondContact O-N 2.92Å; M215-D217 VanDerWaalsContact C-N 3.27Å; M215-D217 WeakPolarHBondContact CE-OD2 3.49Å; M215-D217 WeakPolarHBondContact CG-OD2 3.5Å; M215-D217 PolarHBondContact O-N 3.32Å; M215-D217 VanDerWaalsContact O-N 3.09Å; M215-R247 PolarHBondContact SD-NH2 3.48Å
216C35.8Very low37Very low34 Ų34102.8 Ų102.823%0.2352%0.516CS..  trans-81.778.1173.5-64.30000108.5
217D41.5Very low37.1Very low6 Ų6106.1 Ų106.13%0.03252%0.519CS..  trans-97120171.8-71.3-30.9000109G28 I29 M215 R247 N249G28-D217 WeakPolarHBondContact CA-O 3.41Å; I29-D217 PolarHBondContact N-O 2.9Å; M215-D217 VanDerWaalsContact C-N 3.27Å; M215-D217 WeakPolarHBondContact CE-OD2 3.49Å; M215-D217 WeakPolarHBondContact CG-OD2 3.5Å; M215-D217 PolarHBondContact O-N 3.32Å; M215-D217 VanDerWaalsContact O-N 3.09Å; D217-R247 VanDerWaalsContact CG-NE 3.35Å; D217-R247 IonicContact OD1-CZ 2.81Å; D217-R247 VanDerWaalsContact OD1-CZ 3.3Å; D217-R247 IonicContact OD1-NE 3Å; D217-R247 PolarHBondContact OD1-NE 3.24Å; D217-R247 IonicContact OD1-NH2 3.51Å; D217-R247 PolarHBondContact OD1-NH2 3.02Å; D217-R247 IonicContact OD2-CZ 3.47Å; D217-R247 IonicContact OD2-NE 3.3Å; D217-R247 PolarHBondContact OD2-NE 2.77Å; D217-R247 IonicContact OD2-NH2 3.44Å; D217-R247 PolarHBondContact OD2-NH2 2.78Å; D217-N249 PolarHBondContact OD1-OD1 3.17Å
218V44.3Very low37.2Very low21 Ų21113.7 Ų113.713%0.12753%0.527CS..EExtended strand (participates in β ladder)trans-104.9124.5165.6172.80000106.7M26 T27M26-V218 HydrophobicContact CE-CB 4.46Å; M26-V218 HydrophobicContact CE-CG1 3.3Å; M26-V218 HydrophobicContact CE-CG2 4.33Å; M26-V218 HydrophobicContact CG-CG1 3.89Å; M26-V218 HydrophobicContact SD-CG1 4.44Å; T27-V218 CarbonylContact O-C 3.48Å; T27-V218 VanDerWaalsContact O-CA 3.23Å; T27-V218 WeakPolarHBondContact O-CA 3.43Å
219H52.9Low37.3Very low34 Ų34106.9 Ų106.916%0.15752%0.524CS..EExtended strand (participates in β ladder)trans-114.9142.7172.6-42.8-98.4000111.3M26 T27M26-H219 CarbonylContact C-O 3.57Å; M26-H219 WeakPolarHBondContact CA-O 3.35Å; T27-H219 HydrophobicContact CG2-CB 3.35Å; T27-H219 WeakPolarHBondContact CG2-O 3.06Å; T27-H219 PolarHBondContact N-O 2.73Å; T27-H219 PolarHBondContact O-N 3.32Å
220I54.2Low37.4Very low9 Ų9112 Ų1125%0.04653%0.527CS..EExtended strand (participates in β ladder)trans-113.5129177.2-63.7173.3000109.5L12 L13 L16 L24 G25 T244L12-I220 HydrophobicContact CD2-CD1 3.16Å; L13-I220 HydrophobicContact CD2-CD1 4.13Å; L16-I220 HydrophobicContact CD1-CB 4.48Å; L16-I220 HydrophobicContact CD1-CD1 3.66Å; L16-I220 HydrophobicContact CD1-CG2 3.86Å; L24-I220 HydrophobicContact CB-CG2 4.28Å; L24-I220 HydrophobicContact CD2-CG2 3.85Å; G25-I220 CarbonylContact O-C 3.53Å; G25-I220 WeakPolarHBondContact O-CA 3.29Å; G25-I220 WeakPolarHBondContact O-CG2 3.15Å; I220-T244 VanDerWaalsContact O-O 3.09Å
221Y52.8Low37.1Very low84 Ų84110 Ų11033%0.32953%0.529SS..EExtended strand (participates in β ladder)trans-103.7142.1-177.9-71.6-88.4000111.8L24 G25 T27 V243 Y245L24-Y221 CarbonylContact C-O 3.53Å; L24-Y221 WeakPolarHBondContact CA-O 3.41Å; G25-Y221 PolarHBondContact N-O 2.73Å; G25-Y221 PolarHBondContact O-N 3.46Å; T27-Y221 HydrophobicContact CG2-CD2 4.2Å; T27-Y221 HydrophobicContact CG2-CE2 3.4Å; T27-Y221 VanDerWaalsContact CG2-CE2 3.4Å; Y221-V243 HydrophobicContact CD1-CG1 3.49Å; Y221-V243 VanDerWaalsContact CD1-CG1 3.49Å; Y221-V243 HydrophobicContact CD1-CG2 4.45Å; Y221-V243 HydrophobicContact CE1-CG1 3.63Å; Y221-Y245 HydrophobicContact CE1-CE1 4.33Å
222R49.3Very low37.2Very low99 Ų99114.3 Ų114.337%0.37453%0.533SS..EExtended strand (participates in β ladder)trans-109.2125.7167.7173.9-178.5167.5157.6-1.1109D224R222-D224 IonicContact CZ-OD1 2.76Å; R222-D224 IonicContact NE-OD1 3.29Å; R222-D224 PolarHBondContact NE-OD1 3.05Å; R222-D224 IonicContact NH2-OD1 3.89Å; R222-D224 PolarHBondContact NH2-OD1 3.11Å
223R41.6Very low36.9Very low207 Ų207110.8 Ų110.878%0.78154%0.536SS*.  trans-91.5111.6165.9-162.8177-167.6176.93.8108.4P23 S225P23-R223 HydrophobicContact CG-CB 4.29Å; R223-S225 PolarHBondContact O-N 3.4Å
224D37.7Very low37Very low51 Ų51111.1 Ų111.127%0.27354%0.538SS..  trans-70.5121.3-177.1-149.128.7000110.6R222 R226R222-D224 IonicContact CZ-OD1 2.76Å; R222-D224 IonicContact NE-OD1 3.29Å; R222-D224 PolarHBondContact NE-OD1 3.05Å; R222-D224 IonicContact NH2-OD1 3.89Å; R222-D224 PolarHBondContact NH2-OD1 3.11Å; D224-R226 PolarHBondContact O-N 3.06Å; D224-R226 IonicContact OD1-NH2 3.94Å; D224-R226 IonicContact OD2-CZ 3.57Å; D224-R226 IonicContact OD2-NE 3.87Å; D224-R226 PolarHBondContact OD2-NE 2.9Å; D224-R226 IonicContact OD2-NH2 2.81Å; D224-R226 PolarHBondContact OD2-NH2 2.69Å
225S33.8Very low37.1Very low101 Ų101118 Ų11871%0.70656%0.562SS**THydrogen-bonded Turntrans-70.615.3-170-34.70000115.3R223R223-S225 PolarHBondContact O-N 3.4Å
226R34.4Very low37.2Very low199 Ų199116.7 Ų116.775%0.75157%0.572SS**THydrogen-bonded Turntrans-87.4-0.9-176-101.1-177.3-68.9-122-3.4115.3D224 R228D224-R226 PolarHBondContact O-N 3.06Å; D224-R226 IonicContact OD1-NH2 3.94Å; D224-R226 IonicContact OD2-CZ 3.57Å; D224-R226 IonicContact OD2-NE 3.87Å; D224-R226 PolarHBondContact OD2-NE 2.9Å; D224-R226 IonicContact OD2-NH2 2.81Å; D224-R226 PolarHBondContact OD2-NH2 2.69Å; R226-R228 PolarHBondContact O-N 2.8Å
227W30.3Very low36.7Very low195 Ų195126.2 Ų126.274%0.73960%0.604SS**  trans-90.869.3177.3-71.697.2000111.6P239W227-P239 HydrophobicContact CH2-CG 4Å; W227-P239 HydrophobicContact CZ2-CB 4.32Å; W227-P239 HydrophobicContact CZ2-CG 3.85Å
228R29.4Very low35.8Very low228 Ų228134.5 Ų134.586%0.8665%0.645SS**  trans-72.3130.3155.9-119.4-174.8-79.3-126.81.4107.2R226 R230R226-R228 PolarHBondContact O-N 2.8Å; R228-R230 PolarHBondContact O-N 3.21Å
229A30.6Very low35.1Very low109 Ų109137.4 Ų137.490%0.90166%0.664SS**  trans-31.5103.4-17800000113.6
230R27.6Very low34.1Very low214 Ų214146.2 Ų146.281%0.80870%0.696SS**  trans-100.3143.7158.3-72.6-160-172-140.54.5108.1R228R228-R230 PolarHBondContact O-N 3.21Å
231P30Very low33.2Very low122 Ų122154 Ų15479%0.79273%0.733SS**  trans-60.2147.3-179.625.7-32.2000110.2
232R29Very low32.3Very low242 Ų242155.7 Ų155.791%0.91375%0.751SS**  trans-45.7128-175.7-61.7-176.1-165.5-158.23.9110.9
233P28.6Very low31.9Very low120 Ų120152.1 Ų152.178%0.77974%0.74SS**  trans-75.5136.6161.415.2-1.7000108.8
234S30.3Very low31.9Very low111 Ų111144.7 Ų144.778%0.77672%0.718SS**  trans-55.9135.3166.936.80000110.7
235M34Very low32.1Very low203 Ų203145.5 Ų145.5100%172%0.718SS**SBendtrans1.5112.5162.1-159156.9164.200117
236G32.6Very low32.7Very low61 Ų61142.6 Ų142.663%0.62969%0.692SS**SBendtrans114.1116.8167.500000112.8
237Y25.4Very low33.3Very low234 Ų234136.8 Ų136.892%0.91867%0.671SS**  trans93.498.2-177.4-66.7-90.7000116.4
238M24.1Very low34Very low181 Ų181129.2 Ų129.289%0.89264%0.644SS**PPolyproline II helixtrans-71.3129159.7-76.9-72.715700109.5
239P27.7Very low34.5Very low81 Ų81121.8 Ų121.853%0.52662%0.622SS.*PPolyproline II helixtrans-74.2142.6177.329.2-30.8000110.9W227 E241W227-P239 HydrophobicContact CH2-CG 4Å; W227-P239 HydrophobicContact CZ2-CB 4.32Å; W227-P239 HydrophobicContact CZ2-CG 3.85Å; P239-E241 PolarHBondContact O-N 2.91Å
240R33.4Very low35Very low220 Ų220121.1 Ų121.183%0.8360%0.602SS**PPolyproline II helixtrans-66117.2179.8-64.9179.6-171.3-116.10.8110.6
241E34.2Very low35.2Very low173 Ų173119 Ų11981%0.80860%0.6SS**PPolyproline II helixtrans-73.1128.5171.2-64.4-175.9150.300110.2P239 V243P239-E241 PolarHBondContact O-N 2.91Å; E241-V243 HydrophobicContact CB-CG2 3.97Å; E241-V243 PolarHBondContact O-N 3.43Å
242V34.6Very low35.1Very low119 Ų119121.3 Ų121.372%0.72160%0.599SS**  trans-85.190.6168-177.80000107.2
243V40.5Very low35.3Very low23 Ų23118.8 Ų118.814%0.13960%0.602CS.*  trans-89.6115.8174.6-178.80000108.3Y221 E241 Y245Y221-V243 HydrophobicContact CD1-CG1 3.49Å; Y221-V243 VanDerWaalsContact CD1-CG1 3.49Å; Y221-V243 HydrophobicContact CD1-CG2 4.45Å; Y221-V243 HydrophobicContact CE1-CG1 3.63Å; E241-V243 HydrophobicContact CB-CG2 3.97Å; E241-V243 PolarHBondContact O-N 3.43Å; V243-Y245 HydrophobicContact CB-CD2 4.27Å; V243-Y245 HydrophobicContact CB-CE1 4.4Å; V243-Y245 HydrophobicContact CB-CE2 3.57Å; V243-Y245 HydrophobicContact CG1-CD1 4.02Å; V243-Y245 HydrophobicContact CG1-CD2 3.99Å; V243-Y245 HydrophobicContact CG1-CE1 3.59Å; V243-Y245 HydrophobicContact CG1-CE2 3.55Å; V243-Y245 HydrophobicContact CG1-CG 4.21Å; V243-Y245 VanDerWaalsContact O-CD2 3.22Å; V243-Y245 WeakPolarHBondContact O-CD2 3.37Å; V243-Y245 WeakPolarHBondContact O-CE2 3.45Å; V243-Y245 PolarHBondContact O-N 2.79Å
244T40.9Very low35.3Very low52 Ų52115.6 Ų115.632%0.31959%0.591SS.*  trans-84.7111.5171.2-520000108.6I220 F246I220-T244 VanDerWaalsContact O-O 3.09Å; T244-F246 HydrophobicContact CG2-CD2 4.41Å; T244-F246 HydrophobicContact CG2-CE2 3.71Å; T244-F246 HydrophobicContact CG2-CZ 4.21Å
245Y43.7Very low35Very low67 Ų67120.8 Ų120.826%0.26359%0.594SS.*  trans-91.1130.4-179.2-63.8-87.7000111.3Y221 V243 I263Y221-Y245 HydrophobicContact CE1-CE1 4.33Å; V243-Y245 HydrophobicContact CB-CD2 4.27Å; V243-Y245 HydrophobicContact CB-CE1 4.4Å; V243-Y245 HydrophobicContact CB-CE2 3.57Å; V243-Y245 HydrophobicContact CG1-CD1 4.02Å; V243-Y245 HydrophobicContact CG1-CD2 3.99Å; V243-Y245 HydrophobicContact CG1-CE1 3.59Å; V243-Y245 HydrophobicContact CG1-CE2 3.55Å; V243-Y245 HydrophobicContact CG1-CG 4.21Å; V243-Y245 VanDerWaalsContact O-CD2 3.22Å; V243-Y245 WeakPolarHBondContact O-CD2 3.37Å; V243-Y245 WeakPolarHBondContact O-CE2 3.45Å; V243-Y245 PolarHBondContact O-N 2.79Å; Y245-I263 HydrophobicContact CD2-CB 4.23Å
246F45.1Very low34.6Very low40 Ų40119.7 Ų119.718%0.17558%0.583CS.*  trans-113.1127.8163.4-67.7-93.1000107.6L16 T244 L260L16-F246 HydrophobicContact CD2-CE2 4.11Å; L16-F246 HydrophobicContact CD2-CZ 4.1Å; T244-F246 HydrophobicContact CG2-CD2 4.41Å; T244-F246 HydrophobicContact CG2-CE2 3.71Å; T244-F246 HydrophobicContact CG2-CZ 4.21Å; F246-L260 HydrophobicContact CD1-CD2 3.48Å; F246-L260 VanDerWaalsContact CD1-CD2 3.48Å; F246-L260 HydrophobicContact CE1-CD2 3.5Å; F246-L260 VanDerWaalsContact CE1-CD2 3.5Å
247R47Very low34.3Very low78 Ų78126.6 Ų126.629%0.29459%0.591SS.*  trans-121.6114.2-179.3-173.9178.4-177-169.6-0.7108.9M215 D217 N249M215-R247 PolarHBondContact SD-NH2 3.48Å; D217-R247 VanDerWaalsContact CG-NE 3.35Å; D217-R247 IonicContact OD1-CZ 2.81Å; D217-R247 VanDerWaalsContact OD1-CZ 3.3Å; D217-R247 IonicContact OD1-NE 3Å; D217-R247 PolarHBondContact OD1-NE 3.24Å; D217-R247 IonicContact OD1-NH2 3.51Å; D217-R247 PolarHBondContact OD1-NH2 3.02Å; D217-R247 IonicContact OD2-CZ 3.47Å; D217-R247 IonicContact OD2-NE 3.3Å; D217-R247 PolarHBondContact OD2-NE 2.77Å; D217-R247 IonicContact OD2-NH2 3.44Å; D217-R247 PolarHBondContact OD2-NH2 2.78Å; R247-N249 PolarHBondContact NE-ND2 3.48Å; R247-N249 PolarHBondContact NE-OD1 2.77Å; R247-N249 PolarHBondContact NH2-OD1 2.79Å; R247-N249 VanDerWaalsContact NH2-OD1 3.13Å; R247-N249 PolarHBondContact O-N 2.78Å
248L46.2Very low34.5Very low35 Ų35119.9 Ų119.918%0.18357%0.574CS.*  trans-85103.8166.1-97.387.3000108.8E8 L12E8-L248 VanDerWaalsContact CD-CD2 3.45Å; E8-L248 HydrophobicContact CG-CD2 4.08Å; E8-L248 WeakPolarHBondContact OE1-CD2 3.08Å; L12-L248 HydrophobicContact CD1-CD1 3.87Å
249N39.3Very low34.7Very low73 Ų73116.3 Ų116.339%0.3956%0.558SS.*  trans-91.5112.9171.3-87.3-38.6000109.9D217 R247 F251D217-N249 PolarHBondContact OD1-OD1 3.17Å; R247-N249 PolarHBondContact NE-ND2 3.48Å; R247-N249 PolarHBondContact NE-OD1 2.77Å; R247-N249 PolarHBondContact NH2-OD1 2.79Å; R247-N249 VanDerWaalsContact NH2-OD1 3.13Å; R247-N249 PolarHBondContact O-N 2.78Å; N249-F251 PolarHBondContact O-N 3.5Å
250L41.3Very low34.9Very low94 Ų94117.3 Ų117.349%0.49256%0.558SS.*  trans-98.643.7179.4-142.588.1000112.9L5L5-L250 HydrophobicContact CD2-CD1 4.4Å; L5-L250 HydrophobicContact CD2-CD2 4.26Å
251F31.9Very low34.5Very low171 Ų171109 Ų10975%0.7554%0.537SS*.  trans-113.676173.8-103.5-89.7000110.4N249N249-F251 PolarHBondContact O-N 3.5Å
252H28.1Very low34.1Very low170 Ų170105 Ų10579%0.78753%0.526SS*.  trans180119147.8-117.6-89000110.9G254H252-G254 PolarHBondContact O-N 3.2Å
253I32.3Very low33.9Very low189 Ų189103.3 Ų103.397%0.96951%0.512SS*.THydrogen-bonded Turntrans-7358.3173.5-62.6160.7000110.2
254G28.1Very low33.2Very low53 Ų53107.5 Ų107.555%0.54654%0.537SS..THydrogen-bonded Turntrans-177.4-20.6177.100000119.1H252H252-G254 PolarHBondContact O-N 3.2Å
255W24.6Very low32.5Very low220 Ų220114.3 Ų114.383%0.83356%0.562SS**  trans-148.2107.7178.4-70.882000108.9R257W255-R257 PolarHBondContact O-N 3.17Å
256F25.7Very low31.7Very low179 Ų179112.8 Ų112.879%0.78557%0.567SS**  trans-62.4105.3170-87.8-90.6000108.9
257R26.5Very low30.9Very low207 Ų207122.9 Ų122.978%0.78160%0.604SS**  trans-116.395.6168.6-120.9-178.7163.1-177.2-4.6107.4W255 L259W255-R257 PolarHBondContact O-N 3.17Å; R257-L259 PolarHBondContact O-N 2.85Å
258V30.3Very low29.9Very low92 Ų92124.7 Ų124.756%0.55863%0.629SS**  trans-68.4102.2166.1-178.40000106.8L260V258-L260 HydrophobicContact CG1-CD2 4.27Å; V258-L260 HydrophobicContact CG1-CG 4.18Å; V258-L260 PolarHBondContact O-N 3.18Å
259L27.5Very low28.8Very low107 Ų107128.7 Ų128.756%0.5666%0.658SS**  trans-81.693.6175.3-106.4141.6000108.6R257 A261R257-L259 PolarHBondContact O-N 2.85Å; L259-A261 PolarHBondContact O-N 2.79Å; L259-A261 VanDerWaalsContact O-N 3.15Å
260L31.3Very low28Very low102 Ų102134.5 Ų134.553%0.53468%0.68SS.*  trans-7690.1168.3-67.4170.3000108.7F246 V258F246-L260 HydrophobicContact CD1-CD2 3.48Å; F246-L260 VanDerWaalsContact CD1-CD2 3.48Å; F246-L260 HydrophobicContact CE1-CD2 3.5Å; F246-L260 VanDerWaalsContact CE1-CD2 3.5Å; V258-L260 HydrophobicContact CG1-CD2 4.27Å; V258-L260 HydrophobicContact CG1-CG 4.18Å; V258-L260 PolarHBondContact O-N 3.18Å
261A25.8Very low27.1Very low46 Ų46136.7 Ų136.738%0.3869%0.691SS.*  trans-109.5112.5173.700000109.7L259 I263L259-A261 PolarHBondContact O-N 2.79Å; L259-A261 VanDerWaalsContact O-N 3.15Å; A261-I263 HydrophobicContact CB-CG1 4.48Å; A261-I263 PolarHBondContact O-N 2.79Å
262P25.7Very low26.7Very low89 Ų89133.9 Ų133.958%0.57869%0.691SS**  trans-68.499.5163.427.5-29.8000107.8V264P262-V264 PolarHBondContact O-N 2.77Å; P262-V264 VanDerWaalsContact O-N 3.08Å
263I30.4Very low26.5Very low83 Ų83131.4 Ų131.443%0.42669%0.688SS.*  trans-77.695171.8-60.1174.1000107.1Y245 A261 F265Y245-I263 HydrophobicContact CD2-CB 4.23Å; A261-I263 HydrophobicContact CB-CG1 4.48Å; A261-I263 PolarHBondContact O-N 2.79Å; I263-F265 HydrophobicContact CG2-CD2 4.31Å
264V25.8Very low26.2Very low110 Ų110130.7 Ų130.767%0.66768%0.683SS**  trans-87.5110.6169.4-178.90000107.5P262 G266P262-V264 PolarHBondContact O-N 2.77Å; P262-V264 VanDerWaalsContact O-N 3.08Å; V264-G266 PolarHBondContact O-N 2.72Å
265F26.7Very low26Very low195 Ų195137.5 Ų137.586%0.85570%0.697SS**SBendtrans-7281.2167.6-111.6-87.7000109I263I263-F265 HydrophobicContact CG2-CD2 4.31Å
266G25.5Very low26.2Very low36 Ų36135.6 Ų135.637%0.37170%0.695SS.*SBendtrans163.1109.1-178.800000110.7V264 S268V264-G266 PolarHBondContact O-N 2.72Å; G266-S268 PolarHBondContact O-N 2.9Å; G266-S268 VanDerWaalsContact O-N 3.13Å
267R28.8Very low26.3Very low252 Ų252133.3 Ų133.395%0.95170%0.696SS**SBendtrans-20.7103.3178.1-67.7179.5176.8-172.5-1.5115.5
268S26.5Very low26.7Very low116 Ų116130.7 Ų130.781%0.81169%0.693SS**  trans161.2100.9135.1-76.40000108.3G266 K270G266-S268 PolarHBondContact O-N 2.9Å; G266-S268 VanDerWaalsContact O-N 3.13Å; S268-K270 PolarHBondContact O-N 2.94Å
269C22.7Very low26.4Very low118 Ų118133.4 Ų133.480%0.79770%0.704SS**  trans-75.3113.6-179.1-153.10000109.2
270K22.8Very low26.4Very low195 Ų195135.2 Ų135.285%0.84871%0.714SS**  trans-105.4103.9158.7-86.9-174.8178178.40107.9S268 C272S268-K270 PolarHBondContact O-N 2.94Å; K270-C272 PolarHBondContact O-N 2.95Å
271I23.1Very low26.1Very low140 Ų140139.7 Ų139.772%0.71873%0.729SS**  trans-69.2115.1172.7-65.9165.3000107.2T273I271-T273 HydrophobicContact CG2-CG2 3.98Å
272C22.8Very low26.4Very low113 Ų113147.3 Ų147.376%0.76475%0.749SS**  trans-99.596.1170.8-142.50000108.2K270 M274K270-C272 PolarHBondContact O-N 2.95Å; C272-M274 PolarHBondContact O-N 2.88Å
273T23Very low26.6Very low118 Ų118155 Ų15572%0.72478%0.784SS**  trans-79.1111.917142.40000109.8I271 K275I271-T273 HydrophobicContact CG2-CG2 3.98Å; T273-K275 PolarHBondContact O-N 2.96Å
274M26.2Very low26.4Very low174 Ų174158.6 Ų158.686%0.85780%0.802SS**  trans-71.9111.1167.8-88.5-93.5155.600109.8C272C272-M274 PolarHBondContact O-N 2.88Å
275K24.7Very low26.4Very low195 Ų195161.1 Ų161.185%0.84881%0.809SS**  trans-73130.6166.9-93.6179.6176.3177.80109T273 T277T273-K275 PolarHBondContact O-N 2.96Å; K275-T277 PolarHBondContact O-N 3.34Å
276K28.4Very low26.4Very low180 Ų180159.2 Ų159.278%0.78381%0.806SS**  trans-74.3107177.9-162.4179.5-170.1-179.30109
277T26.9Very low26.5Very low131 Ų131166.5 Ų166.580%0.80483%0.832SS**  trans-96.8101.1164.9-36.40000107.4K275K275-T277 PolarHBondContact O-N 3.34Å
278Q35Very low26.3Very low152 Ų152161.1 Ų161.171%0.7182%0.824SS**  trans-68.6126.4169.8-76.1-174.8-35.800109.2
279N24.7Very low26.3Very low149 Ų149164.1 Ų164.180%0.79783%0.825SS**  trans-156.778.9148.9-99.3-53.4000108.2
280L26.8Very low26.6Very low146 Ų146167.4 Ų167.476%0.76483%0.827SS**  trans-78.7108.4158-112.885.5000106.4
281K25.5Very low26.9Very low196 Ų196165.3 Ų165.385%0.85283%0.826SS**  trans-94.8117.1152.7-81.8-173.5177.5-1770106.6
282Y32.1Very low27.2Very low205 Ų205167.4 Ų167.480%0.80484%0.835SS**  trans-60.9131.4171.1-71.4-97.5000110
283L30.3Very low27.6Very low250 Ų250172.4 Ų172.4100%1.30984%0.841SS**  trans-154.30143-97.2168.2000107.5

Retrieved 283 of 283 residues in 243.9 ms (Link to these results)

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