G4VF36_SCHMA Loading...

Zgc: AlphaSync

AlphaFold DB , UniProt , Accession G4VF36, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 168 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
1M37.7Very low55.6Low231 Ų231102.6 Ų102.6100%1.13861%0.612SS**  0730-75133.677.700110.4
2S49.8Very low56.8Low90 Ų90102.1 Ų102.163%0.62960%0.603SS**  trans-153.5-12.9173.2-120.90000114.1
3S54.3Low58.2Low101 Ų10199.5 Ų99.571%0.70659%0.59SS**Hα-helixtrans-76.9-22.2178.2-56.60000114.1
4D55.5Low59.8Low116 Ų11699.9 Ų99.962%0.6259%0.588SS**Hα-helixtrans-78.7-27.5-178-53.4-47.8000112.6V6 T8D4-V6 PolarHBondContact O-N 3Å; D4-T8 WeakPolarHBondContact O-CB 3.13Å; D4-T8 PolarHBondContact O-N 3.44Å; D4-T8 PolarHBondContact O-OG1 2.64Å
5N57.5Low60.8Low112 Ų11294.5 Ų94.560%0.59956%0.558SS**Hα-helixtrans-72.4-32.1-176.9-77.6-9.7000113.2S9N5-S9 WeakPolarHBondContact O-CB 3.26Å; N5-S9 PolarHBondContact O-N 3.29Å; N5-S9 PolarHBondContact O-OG 3.5Å
6V54.5Low62.1Low110 Ų11097.9 Ų97.967%0.66756%0.56SS**Hα-helixtrans-71.6-41.41791750000110.5D4 S9 S10D4-V6 PolarHBondContact O-N 3Å; V6-S9 PolarHBondContact O-N 3.18Å; V6-S10 PolarHBondContact O-N 2.92Å; V6-S10 PolarHBondContact O-OG 3.49Å
7V56Low63.4Low92 Ų9294.5 Ų94.556%0.55854%0.543SS*.Hα-helixtrans-68.3-46177179.80000110.8S9 S10 V11V7-S9 VanDerWaalsContact C-N 3.32Å; V7-S9 PolarHBondContact O-N 3.41Å; V7-S10 PolarHBondContact O-N 2.97Å; V7-S10 PolarHBondContact O-OG 2.89Å; V7-V11 HydrophobicContact CG1-CG2 4.35Å; V7-V11 VanDerWaalsContact O-CG2 3.24Å; V7-V11 WeakPolarHBondContact O-CG2 3.24Å; V7-V11 PolarHBondContact O-N 3.28Å
8T59.2Low64.5Low55 Ų5594 Ų9434%0.33754%0.538SS..Hα-helixtrans-63.1-38.2176.8-56.90000111.9D4 S10 V11 L12D4-T8 WeakPolarHBondContact O-CB 3.13Å; D4-T8 PolarHBondContact O-N 3.44Å; D4-T8 PolarHBondContact O-OG1 2.64Å; T8-S10 VanDerWaalsContact C-N 3.35Å; T8-S10 PolarHBondContact O-N 3.06Å; T8-V11 PolarHBondContact O-N 3.44Å; T8-L12 HydrophobicContact CG2-CD1 4.22Å; T8-L12 WeakPolarHBondContact O-CG 3.33Å; T8-L12 PolarHBondContact O-N 3.18Å
9S60.6Low65.3Low78 Ų7889.7 Ų89.755%0.54552%0.515SS..Hα-helixtrans-70.3-25.5178.9-610000113.7N5 V6 V7 P13N5-S9 WeakPolarHBondContact O-CB 3.26Å; N5-S9 PolarHBondContact O-N 3.29Å; N5-S9 PolarHBondContact O-OG 3.5Å; V6-S9 PolarHBondContact O-N 3.18Å; V7-S9 VanDerWaalsContact C-N 3.32Å; V7-S9 PolarHBondContact O-N 3.41Å; S9-P13 WeakPolarHBondContact O-CD 3.15Å; S9-P13 WeakPolarHBondContact O-CG 2.81Å
10S62.1Low66.1Low61 Ų6192.6 Ų92.643%0.42752%0.517SS..Hα-helixtrans-85.4-32.1173.4560000112.9V6 V7 T8 P13V6-S10 PolarHBondContact O-N 2.92Å; V6-S10 PolarHBondContact O-OG 3.49Å; V7-S10 PolarHBondContact O-N 2.97Å; V7-S10 PolarHBondContact O-OG 2.89Å; T8-S10 VanDerWaalsContact C-N 3.35Å; T8-S10 PolarHBondContact O-N 3.06Å; S10-P13 VanDerWaalsContact O-CD 3.26Å; S10-P13 WeakPolarHBondContact O-CD 3.4Å; S10-P13 VanDerWaalsContact O-CG 3.26Å; S10-P13 WeakPolarHBondContact O-CG 3.26Å
11V64.7Low67.1Low83 Ų8396 Ų9650%0.50352%0.522SS..Hα-helixtrans-70.9-36.2179.6172.10000112.4V7 T8 S15V7-V11 HydrophobicContact CG1-CG2 4.35Å; V7-V11 VanDerWaalsContact O-CG2 3.24Å; V7-V11 WeakPolarHBondContact O-CG2 3.24Å; V7-V11 PolarHBondContact O-N 3.28Å; T8-V11 PolarHBondContact O-N 3.44Å; V11-S15 PolarHBondContact O-N 3.15Å; V11-S15 PolarHBondContact O-OG 3.42Å; V11-S15 VanDerWaalsContact O-OG 3.05Å
12L69.6Low69.1Low96 Ų9688.3 Ų88.350%0.50348%0.483SS..Hα-helixtrans-60.5-51.5176.5-76.2171.9000114.6T8 D14 S15 Y16T8-L12 HydrophobicContact CG2-CD1 4.22Å; T8-L12 WeakPolarHBondContact O-CG 3.33Å; T8-L12 PolarHBondContact O-N 3.18Å; L12-D14 VanDerWaalsContact C-N 3.34Å; L12-D14 PolarHBondContact O-N 3.43Å; L12-S15 PolarHBondContact O-N 2.96Å; L12-S15 PolarHBondContact O-OG 3.08Å; L12-Y16 WeakPolarHBondContact O-CB 3.37Å; L12-Y16 PolarHBondContact O-N 3.46Å; L12-Y16 VanDerWaalsContact O-N 3.1Å
13P75.3Confident70.7Confident68 Ų6886.6 Ų86.644%0.44247%0.466SS..Hα-helixtrans-65.7-35.9-17922.4-32.1000112.6S9 S10 S17S9-P13 WeakPolarHBondContact O-CD 3.15Å; S9-P13 WeakPolarHBondContact O-CG 2.81Å; S10-P13 VanDerWaalsContact O-CD 3.26Å; S10-P13 WeakPolarHBondContact O-CD 3.4Å; S10-P13 VanDerWaalsContact O-CG 3.26Å; S10-P13 WeakPolarHBondContact O-CG 3.26Å; P13-S17 WeakPolarHBondContact O-CB 3.45Å; P13-S17 PolarHBondContact O-N 3.1Å
14D79.9Confident72.4Confident105 Ų10586.5 Ų86.556%0.56146%0.455SS*.Hα-helixtrans-65.3-49.1178.4-75.6-17.6000111.2L12 Y16 S17 L18L12-D14 VanDerWaalsContact C-N 3.34Å; L12-D14 PolarHBondContact O-N 3.43Å; D14-Y16 PolarHBondContact O-N 3.05Å; D14-S17 WeakPolarHBondContact O-CB 3.46Å; D14-S17 PolarHBondContact O-N 2.96Å; D14-S17 VanDerWaalsContact O-N 3.15Å; D14-S17 PolarHBondContact O-OG 3.5Å; D14-L18 WeakPolarHBondContact O-CG 3.49Å; D14-L18 PolarHBondContact O-N 2.71Å; D14-L18 VanDerWaalsContact O-N 3.08Å
15S76.2Confident73.8Confident20 Ų2085.2 Ų85.214%0.1445%0.448CS..Hα-helixtrans-62.7-4217960.20000112.5V11 L12 S17 L18 A19V11-S15 PolarHBondContact O-N 3.15Å; V11-S15 PolarHBondContact O-OG 3.42Å; V11-S15 VanDerWaalsContact O-OG 3.05Å; L12-S15 PolarHBondContact O-N 2.96Å; L12-S15 PolarHBondContact O-OG 3.08Å; S15-S17 VanDerWaalsContact C-N 3.33Å; S15-S17 PolarHBondContact O-N 3.05Å; S15-L18 PolarHBondContact O-N 3.17Å; S15-A19 PolarHBondContact O-N 3.5Å
16Y81.1Confident75.1Confident149 Ų14980.6 Ų80.658%0.58442%0.424SS*.Hα-helixtrans-59.5-42.2172.6177.6-97.9000112.4L12 D14 L18 A19 R20L12-Y16 WeakPolarHBondContact O-CB 3.37Å; L12-Y16 PolarHBondContact O-N 3.46Å; L12-Y16 VanDerWaalsContact O-N 3.1Å; D14-Y16 PolarHBondContact O-N 3.05Å; Y16-L18 VanDerWaalsContact C-N 3.34Å; Y16-L18 PolarHBondContact O-N 3.45Å; Y16-A19 PolarHBondContact O-N 3.03Å; Y16-R20 WeakPolarHBondContact O-CB 2.77Å; Y16-R20 PolarHBondContact O-N 3.49Å
17S84.3Confident76.6Confident40 Ų4082 Ų8228%0.2842%0.417SS..Hα-helixtrans-63.2-40.4179.783.30000112.1P13 D14 S15 R20 R21P13-S17 WeakPolarHBondContact O-CB 3.45Å; P13-S17 PolarHBondContact O-N 3.1Å; D14-S17 WeakPolarHBondContact O-CB 3.46Å; D14-S17 PolarHBondContact O-N 2.96Å; D14-S17 VanDerWaalsContact O-N 3.15Å; D14-S17 PolarHBondContact O-OG 3.5Å; S15-S17 VanDerWaalsContact C-N 3.33Å; S15-S17 PolarHBondContact O-N 3.05Å; S17-R20 PolarHBondContact O-N 2.92Å; S17-R21 WeakPolarHBondContact O-CG 3.44Å; S17-R21 PolarHBondContact O-N 2.99Å
18L82.2Confident78.1Confident85 Ų8580.2 Ų80.245%0.44541%0.412SS..Hα-helixtrans-67-49.8176.8-66.3178.7000110.9D14 S15 Y16 R20 R21 H22D14-L18 WeakPolarHBondContact O-CG 3.49Å; D14-L18 PolarHBondContact O-N 2.71Å; D14-L18 VanDerWaalsContact O-N 3.08Å; S15-L18 PolarHBondContact O-N 3.17Å; Y16-L18 VanDerWaalsContact C-N 3.34Å; Y16-L18 PolarHBondContact O-N 3.45Å; L18-R20 VanDerWaalsContact C-N 3.26Å; L18-R20 PolarHBondContact O-N 3.3Å; L18-R21 WeakPolarHBondContact O-CB 3.08Å; L18-R21 PolarHBondContact O-N 3.45Å; L18-H22 PolarHBondContact O-CD2 3.1Å; L18-H22 PolarHBondContact O-N 2.88Å
19A79.7Confident79.3Confident12 Ų1279.1 Ų79.110%0.09940%0.403CS..Hα-helixtrans-55.5-43.3176.400000111.5S15 Y16 R21 H22 L23S15-A19 PolarHBondContact O-N 3.5Å; Y16-A19 PolarHBondContact O-N 3.03Å; A19-R21 PolarHBondContact O-N 3.32Å; A19-H22 PolarHBondContact O-N 3Å; A19-L23 WeakPolarHBondContact O-CB 3.34Å; A19-L23 PolarHBondContact O-N 3.06Å
20R82.4Confident80.5Confident147 Ų14779.1 Ų79.156%0.55540%0.396SS*.Hα-helixtrans-60.9-44.6174.5-174.2174.1178.8164.4-0.3111.9Y16 S17 L18 L23 Q24Y16-R20 WeakPolarHBondContact O-CB 2.77Å; Y16-R20 PolarHBondContact O-N 3.49Å; S17-R20 PolarHBondContact O-N 2.92Å; L18-R20 VanDerWaalsContact C-N 3.26Å; L18-R20 PolarHBondContact O-N 3.3Å; R20-L23 PolarHBondContact O-N 3.44Å; R20-Q24 VanDerWaalsContact O-CG 3.25Å; R20-Q24 WeakPolarHBondContact O-CG 2.93Å; R20-Q24 PolarHBondContact O-N 3.18Å
21R86.3Confident81.7Confident166 Ų16683 Ų8363%0.62641%0.405SS*.Hα-helixtrans-61.3-46.3176.1-74.1174.3-177.21753.5111.6S17 L18 A19 L23 Q24 L25S17-R21 WeakPolarHBondContact O-CG 3.44Å; S17-R21 PolarHBondContact O-N 2.99Å; L18-R21 WeakPolarHBondContact O-CB 3.08Å; L18-R21 PolarHBondContact O-N 3.45Å; A19-R21 PolarHBondContact O-N 3.32Å; R21-L23 VanDerWaalsContact C-N 3.34Å; R21-L23 PolarHBondContact O-N 3.49Å; R21-Q24 WeakPolarHBondContact O-CB 3.06Å; R21-Q24 PolarHBondContact O-N 2.98Å; R21-L25 WeakPolarHBondContact O-CG 3.35Å; R21-L25 PolarHBondContact O-N 2.72Å
22H81.2Confident82.7Confident69 Ų6981 Ų8132%0.31940%0.398SS..Hα-helixtrans-60-44177.5-74-66000112.2L18 A19 Q24 L25 S26L18-H22 PolarHBondContact O-CD2 3.1Å; L18-H22 PolarHBondContact O-N 2.88Å; A19-H22 PolarHBondContact O-N 3Å; H22-Q24 VanDerWaalsContact C-N 3.32Å; H22-Q24 PolarHBondContact O-N 2.68Å; H22-L25 PolarHBondContact O-N 2.91Å; H22-S26 PolarHBondContact O-N 3.23Å; H22-S26 PolarHBondContact O-OG 3.39Å; H22-S26 VanDerWaalsContact O-OG 3.05Å
23L83.2Confident83.4Confident53 Ų5376.9 Ų76.928%0.27738%0.376SS..Hα-helixtrans-60.3-44.2176.4-161.8167.7000110.9A19 R20 R21 L25 S26 R27A19-L23 WeakPolarHBondContact O-CB 3.34Å; A19-L23 PolarHBondContact O-N 3.06Å; R20-L23 PolarHBondContact O-N 3.44Å; R21-L23 VanDerWaalsContact C-N 3.34Å; R21-L23 PolarHBondContact O-N 3.49Å; L23-L25 PolarHBondContact O-N 3.5Å; L23-S26 PolarHBondContact O-N 2.88Å; L23-R27 HydrophobicContact CD2-CG 3.97Å; L23-R27 WeakPolarHBondContact O-CB 3.5Å; L23-R27 WeakPolarHBondContact O-CG 3.39Å; L23-R27 PolarHBondContact O-N 3.02Å
24Q88.7Confident84Confident99 Ų9976.5 Ų76.546%0.46338%0.375SS..Hα-helixtrans-62.8-41.4176.1-67.7-67-100112.6R20 R21 H22 R27 A28R20-Q24 VanDerWaalsContact O-CG 3.25Å; R20-Q24 WeakPolarHBondContact O-CG 2.93Å; R20-Q24 PolarHBondContact O-N 3.18Å; R21-Q24 WeakPolarHBondContact O-CB 3.06Å; R21-Q24 PolarHBondContact O-N 2.98Å; H22-Q24 VanDerWaalsContact C-N 3.32Å; H22-Q24 PolarHBondContact O-N 2.68Å; Q24-R27 PolarHBondContact O-N 3.43Å; Q24-A28 WeakPolarHBondContact O-CB 3.05Å; Q24-A28 PolarHBondContact O-N 3.36Å
25L85.5Confident84.3Confident90 Ų9079.5 Ų79.547%0.47138%0.379SS..Hα-helixtrans-62.1-46.9176.3-70.8173.2000111.2R21 H22 L23 R27 A28 K29R21-L25 WeakPolarHBondContact O-CG 3.35Å; R21-L25 PolarHBondContact O-N 2.72Å; H22-L25 PolarHBondContact O-N 2.91Å; L23-L25 PolarHBondContact O-N 3.5Å; L25-R27 VanDerWaalsContact C-N 3.31Å; L25-R27 PolarHBondContact O-N 3.43Å; L25-A28 WeakPolarHBondContact O-CB 3.04Å; L25-A28 PolarHBondContact O-N 3.23Å; L25-A28 VanDerWaalsContact O-N 3.08Å; L25-K29 VanDerWaalsContact O-CG 3.27Å; L25-K29 WeakPolarHBondContact O-CG 3.37Å; L25-K29 PolarHBondContact O-N 3.05Å
26S85.4Confident84.8Confident14 Ų1482 Ų8210%0.09839%0.393CS..Hα-helixtrans-62.2-40.1177.6-57.30000112.1H22 L23 K29 L30 I85 I89H22-S26 PolarHBondContact O-N 3.23Å; H22-S26 PolarHBondContact O-OG 3.39Å; H22-S26 VanDerWaalsContact O-OG 3.05Å; L23-S26 PolarHBondContact O-N 2.88Å; S26-K29 PolarHBondContact O-N 3.24Å; S26-L30 WeakPolarHBondContact O-CB 3.24Å; S26-L30 PolarHBondContact O-N 3.18Å; S26-I85 WeakPolarHBondContact OG-CG2 3.24Å; S26-I89 WeakPolarHBondContact OG-CD1 3.25Å
27R85.5Confident85.2Confident141 Ų14175.7 Ų75.753%0.53237%0.371SS..Hα-helixtrans-62.5-41.1171.1-78.9-178.9169.9150.41.3112.4L23 Q24 L25 L30 K31L23-R27 HydrophobicContact CD2-CG 3.97Å; L23-R27 WeakPolarHBondContact O-CB 3.5Å; L23-R27 WeakPolarHBondContact O-CG 3.39Å; L23-R27 PolarHBondContact O-N 3.02Å; Q24-R27 PolarHBondContact O-N 3.43Å; L25-R27 VanDerWaalsContact C-N 3.31Å; L25-R27 PolarHBondContact O-N 3.43Å; R27-L30 PolarHBondContact O-N 3.42Å; R27-K31 WeakPolarHBondContact O-CB 3.38Å; R27-K31 WeakPolarHBondContact O-CG 3.38Å; R27-K31 PolarHBondContact O-N 2.96Å
28A87.9Confident85.4Confident54 Ų5477 Ų7745%0.44638%0.383SS..Hα-helixtrans-65-42.3178.100000111.5Q24 L25 K31 A32Q24-A28 WeakPolarHBondContact O-CB 3.05Å; Q24-A28 PolarHBondContact O-N 3.36Å; L25-A28 WeakPolarHBondContact O-CB 3.04Å; L25-A28 PolarHBondContact O-N 3.23Å; L25-A28 VanDerWaalsContact O-N 3.08Å; A28-K31 PolarHBondContact O-N 3.36Å; A28-A32 WeakPolarHBondContact O-CB 3.46Å; A28-A32 PolarHBondContact O-N 2.98Å
29K83.4Confident85.6Confident32 Ų3278.2 Ų78.214%0.13939%0.39CS..Hα-helixtrans-62.3-45.5173.8-64.9170.7-174.2-168.60111L25 S26 K31 A32 T33 I85 E118 W121L25-K29 VanDerWaalsContact O-CG 3.27Å; L25-K29 WeakPolarHBondContact O-CG 3.37Å; L25-K29 PolarHBondContact O-N 3.05Å; S26-K29 PolarHBondContact O-N 3.24Å; K29-K31 VanDerWaalsContact C-N 3.34Å; K29-K31 PolarHBondContact O-N 2.71Å; K29-A32 WeakPolarHBondContact O-CB 3.47Å; K29-A32 PolarHBondContact O-N 3.48Å; K29-A32 VanDerWaalsContact O-N 3.08Å; K29-T33 PolarHBondContact O-N 3.41Å; K29-I85 HydrophobicContact CD-CD1 4.1Å; K29-E118 IonicContact NZ-OE1 2.71Å; K29-E118 PolarHBondContact NZ-OE1 2.81Å; K29-W121 HydrophobicContact CB-CH2 4.42Å; K29-W121 HydrophobicContact CB-CZ2 3.91Å; K29-W121 HydrophobicContact CD-CD2 4.16Å; K29-W121 HydrophobicContact CD-CE3 3.97Å; K29-W121 HydrophobicContact CD-CH2 3.25Å; K29-W121 HydrophobicContact CD-CZ2 3.39Å; K29-W121 HydrophobicContact CD-CZ3 3.56Å; K29-W121 HydrophobicContact CG-CH2 3.44Å; K29-W121 VanDerWaalsContact CG-CH2 3.44Å; K29-W121 HydrophobicContact CG-CZ2 3.43Å; K29-W121 VanDerWaalsContact CG-CZ2 3.43Å; K29-W121 HydrophobicContact CG-CZ3 4.25Å
30L85.6Confident85.7Confident77 Ų7778.2 Ų78.240%0.40339%0.388SS..Hα-helixtrans-60.8-41.2176.7-164.968.9000111.8S26 R27 A32 T33 S34 A82S26-L30 WeakPolarHBondContact O-CB 3.24Å; S26-L30 PolarHBondContact O-N 3.18Å; R27-L30 PolarHBondContact O-N 3.42Å; L30-A32 VanDerWaalsContact C-N 3.34Å; L30-T33 HydrophobicContact CD1-CG2 4.2Å; L30-T33 WeakPolarHBondContact O-CG2 3.2Å; L30-S34 WeakPolarHBondContact O-CB 3.44Å; L30-S34 PolarHBondContact O-N 2.95Å; L30-S34 PolarHBondContact O-OG 3.47Å; L30-A82 HydrophobicContact CD1-CB 3.34Å
31K86.8Confident86Confident144 Ų14474 Ų7463%0.62639%0.385SS*.Hα-helixtrans-68.2-30.1173.1-76.3-178.5178.5177.80113.3R27 A28 K29 S34 R35R27-K31 WeakPolarHBondContact O-CB 3.38Å; R27-K31 WeakPolarHBondContact O-CG 3.38Å; R27-K31 PolarHBondContact O-N 2.96Å; A28-K31 PolarHBondContact O-N 3.36Å; K29-K31 VanDerWaalsContact C-N 3.34Å; K29-K31 PolarHBondContact O-N 2.71Å; K31-S34 WeakPolarHBondContact CA-OG 3.47Å; K31-S34 PolarHBondContact O-OG 2.87Å; K31-R35 VanDerWaalsContact O-CG 3.27Å; K31-R35 WeakPolarHBondContact O-CG 3.43Å; K31-R35 PolarHBondContact O-N 2.75Å; K31-R35 PolarHBondContact O-NE 3.36Å; K31-R35 VanDerWaalsContact O-NE 3.13Å
32A86.2Confident86.1Confident41 Ų4167.8 Ų67.834%0.33937%0.372SS..Hα-helixtrans-71.4-47.5174.800000110.7A28 K29 L30 S34 R35 V36A28-A32 WeakPolarHBondContact O-CB 3.46Å; A28-A32 PolarHBondContact O-N 2.98Å; K29-A32 WeakPolarHBondContact O-CB 3.47Å; K29-A32 PolarHBondContact O-N 3.48Å; K29-A32 VanDerWaalsContact O-N 3.08Å; L30-A32 VanDerWaalsContact C-N 3.34Å; A32-S34 PolarHBondContact O-N 3.46Å; A32-R35 PolarHBondContact O-N 3.35Å; A32-V36 WeakPolarHBondContact O-CG2 3.47Å; A32-V36 PolarHBondContact O-N 3.08Å; A32-V36 VanDerWaalsContact O-N 3.12Å
33T84.7Confident86.1Confident8 Ų870 Ų705%0.04938%0.381CS..Hα-helixtrans-63.9-40.8176.8-179.70000112.3K29 L30 R35 V36 S37 V78 H79 A82K29-T33 PolarHBondContact O-N 3.41Å; L30-T33 HydrophobicContact CD1-CG2 4.2Å; L30-T33 WeakPolarHBondContact O-CG2 3.2Å; T33-R35 VanDerWaalsContact C-N 3.32Å; T33-R35 PolarHBondContact O-N 2.78Å; T33-V36 PolarHBondContact O-N 2.83Å; T33-S37 PolarHBondContact O-N 2.94Å; T33-S37 PolarHBondContact O-OG 3.35Å; T33-S37 VanDerWaalsContact O-OG 3.13Å; T33-V78 VanDerWaalsContact CB-CG1 3.47Å; T33-V78 HydrophobicContact CG2-CG1 4.42Å; T33-V78 WeakPolarHBondContact OG1-CG1 3.49Å; T33-H79 PolarHBondContact OG1-CE1 3.41Å; T33-H79 PolarHBondContact OG1-ND1 2.95Å; T33-H79 VanDerWaalsContact OG1-ND1 3.08Å; T33-A82 HydrophobicContact CG2-CB 4.05Å
34S87.8Confident86.2Confident61 Ų6168 Ų6843%0.42737%0.372SS..Hα-helixtrans-63.5-38178.766.70000112.5L30 K31 A32 S37 A38L30-S34 WeakPolarHBondContact O-CB 3.44Å; L30-S34 PolarHBondContact O-N 2.95Å; L30-S34 PolarHBondContact O-OG 3.47Å; K31-S34 WeakPolarHBondContact CA-OG 3.47Å; K31-S34 PolarHBondContact O-OG 2.87Å; A32-S34 PolarHBondContact O-N 3.46Å; S34-S37 PolarHBondContact O-N 3.22Å; S34-A38 PolarHBondContact O-N 2.86Å
35R87.2Confident86.2Confident168 Ų16869.6 Ų69.663%0.63438%0.381SS*.Hα-helixtrans-63-43.3173.5-76.7-176.7-65.6164.52.1111.9K31 A32 T33 A38 L39K31-R35 VanDerWaalsContact O-CG 3.27Å; K31-R35 WeakPolarHBondContact O-CG 3.43Å; K31-R35 PolarHBondContact O-N 2.75Å; K31-R35 PolarHBondContact O-NE 3.36Å; K31-R35 VanDerWaalsContact O-NE 3.13Å; A32-R35 PolarHBondContact O-N 3.35Å; T33-R35 VanDerWaalsContact C-N 3.32Å; T33-R35 PolarHBondContact O-N 2.78Å; R35-A38 PolarHBondContact O-N 3Å; R35-L39 WeakPolarHBondContact O-CG 3.01Å; R35-L39 PolarHBondContact O-N 2.89Å; R35-L39 VanDerWaalsContact O-N 3.09Å
36V86.8Confident86.3Confident72 Ų7269 Ų6944%0.43638%0.381SS..Hα-helixtrans-61.6-45.3174.5175.20000110.2A32 T33 A38 L39 L40 L75A32-V36 WeakPolarHBondContact O-CG2 3.47Å; A32-V36 PolarHBondContact O-N 3.08Å; A32-V36 VanDerWaalsContact O-N 3.12Å; T33-V36 PolarHBondContact O-N 2.83Å; V36-A38 VanDerWaalsContact C-N 3.32Å; V36-A38 PolarHBondContact O-N 3.39Å; V36-L39 PolarHBondContact O-N 3.41Å; V36-L40 HydrophobicContact CG1-CD1 3.87Å; V36-L40 HydrophobicContact CG1-CG 4.1Å; V36-L40 WeakPolarHBondContact O-CB 3.44Å; V36-L40 VanDerWaalsContact O-CG 3.26Å; V36-L40 WeakPolarHBondContact O-CG 3.41Å; V36-L40 PolarHBondContact O-N 3.38Å; V36-L75 HydrophobicContact CG1-CD1 4.36Å
37S87.6Confident86Confident17 Ų1769.6 Ų69.612%0.11939%0.387CS..Hα-helixtrans-57.5-42.1175.7-56.70000113.3T33 S34 L40 A41 L75 H79T33-S37 PolarHBondContact O-N 2.94Å; T33-S37 PolarHBondContact O-OG 3.35Å; T33-S37 VanDerWaalsContact O-OG 3.13Å; S34-S37 PolarHBondContact O-N 3.22Å; S37-L40 PolarHBondContact O-N 3.14Å; S37-A41 VanDerWaalsContact O-CB 3.26Å; S37-A41 WeakPolarHBondContact O-CB 3.37Å; S37-A41 PolarHBondContact O-N 2.9Å; S37-L75 WeakPolarHBondContact OG-CD1 3.37Å; S37-H79 PolarHBondContact OG-CE1 2.94Å; S37-H79 PolarHBondContact OG-NE2 3.35Å
38A89.6Confident85.9Confident66 Ų6666.9 Ų66.955%0.54538%0.382SS..Hα-helixtrans-64.4-43.1178.200000111.9S34 R35 V36 A41 G42S34-A38 PolarHBondContact O-N 2.86Å; R35-A38 PolarHBondContact O-N 3Å; V36-A38 VanDerWaalsContact C-N 3.32Å; V36-A38 PolarHBondContact O-N 3.39Å; A38-A41 PolarHBondContact O-N 3.36Å; A38-G42 PolarHBondContact O-N 2.94Å
39L85.3Confident86Confident112 Ų11268.5 Ų68.559%0.58638%0.382SS*.Hα-helixtrans-64.6-43.5176-68.1177.8000111.6R35 V36 G42 F43R35-L39 WeakPolarHBondContact O-CG 3.01Å; R35-L39 PolarHBondContact O-N 2.89Å; R35-L39 VanDerWaalsContact O-N 3.09Å; V36-L39 PolarHBondContact O-N 3.41Å; L39-G42 WeakPolarHBondContact O-CA 3.27Å; L39-G42 PolarHBondContact O-N 2.89Å; L39-F43 HydrophobicContact CB-CE2 4.41Å; L39-F43 WeakPolarHBondContact O-CD2 2.98Å; L39-F43 PolarHBondContact O-N 3.42Å
40L83.8Confident85.9Confident11 Ų1172.9 Ų72.96%0.05840%0.403CS..Hα-helixtrans-65-41.6177.7-67.8-174.9000112.5V36 S37 G42 F43 A44 L71 L75 F132V36-L40 HydrophobicContact CG1-CD1 3.87Å; V36-L40 HydrophobicContact CG1-CG 4.1Å; V36-L40 WeakPolarHBondContact O-CB 3.44Å; V36-L40 VanDerWaalsContact O-CG 3.26Å; V36-L40 WeakPolarHBondContact O-CG 3.41Å; V36-L40 PolarHBondContact O-N 3.38Å; S37-L40 PolarHBondContact O-N 3.14Å; L40-G42 VanDerWaalsContact C-N 3.27Å; L40-G42 PolarHBondContact O-N 2.87Å; L40-F43 HydrophobicContact CD2-CD2 4.36Å; L40-F43 PolarHBondContact O-N 2.68Å; L40-A44 VanDerWaalsContact O-CB 3.31Å; L40-A44 WeakPolarHBondContact O-CB 3.17Å; L40-A44 PolarHBondContact O-N 3.4Å; L40-L71 HydrophobicContact CD1-CD1 3.61Å; L40-L71 HydrophobicContact CD1-CD2 4.42Å; L40-L71 HydrophobicContact CD1-CG 3.75Å; L40-L71 HydrophobicContact CD2-CD1 3.78Å; L40-L71 HydrophobicContact CD2-CD2 3.34Å; L40-L71 HydrophobicContact CD2-CG 3.65Å; L40-L71 HydrophobicContact CG-CD1 4.32Å; L40-L71 HydrophobicContact CG-CD2 4.4Å; L40-L71 HydrophobicContact CG-CG 4.26Å; L40-L75 HydrophobicContact CB-CD2 4.48Å; L40-L75 HydrophobicContact CD1-CB 4.2Å; L40-L75 HydrophobicContact CD1-CD1 3.83Å; L40-L75 HydrophobicContact CD1-CD2 4.13Å; L40-L75 HydrophobicContact CD1-CG 4.28Å; L40-F132 HydrophobicContact CD2-CD2 4.24Å; L40-F132 HydrophobicContact CD2-CE2 3.57Å; L40-F132 HydrophobicContact CD2-CZ 4.26Å
41A88.1Confident85.5Confident60 Ų6071.7 Ų71.750%0.49640%0.397SS..Hα-helixtrans-61.6-38.4172.400000111.4S37 A38 A44 M45S37-A41 VanDerWaalsContact O-CB 3.26Å; S37-A41 WeakPolarHBondContact O-CB 3.37Å; S37-A41 PolarHBondContact O-N 2.9Å; A38-A41 PolarHBondContact O-N 3.36Å; A41-A44 WeakPolarHBondContact O-CB 3.37Å; A41-A44 PolarHBondContact O-N 3.39Å; A41-M45 WeakPolarHBondContact O-CB 3.49Å; A41-M45 PolarHBondContact O-N 3.1Å
42G88.5Confident85.2Confident34 Ų3471.6 Ų71.635%0.35140%0.399SS..Hα-helixtrans-60.7-49.9171.900000112.6A38 L39 L40 A44 M45 V46A38-G42 PolarHBondContact O-N 2.94Å; L39-G42 WeakPolarHBondContact O-CA 3.27Å; L39-G42 PolarHBondContact O-N 2.89Å; L40-G42 VanDerWaalsContact C-N 3.27Å; L40-G42 PolarHBondContact O-N 2.87Å; G42-A44 VanDerWaalsContact C-N 3.32Å; G42-A44 PolarHBondContact O-N 3.01Å; G42-M45 PolarHBondContact O-N 3.5Å; G42-V46 WeakPolarHBondContact O-CG2 3.48Å; G42-V46 PolarHBondContact O-N 3.4Å
43F81.6Confident84.8Confident115 Ų11574.8 Ų74.850%0.50441%0.414SS..Hα-helixtrans-62.6-38.6175.8-70.5-56.6000112.5L39 L40 V46 A47L39-F43 HydrophobicContact CB-CE2 4.41Å; L39-F43 WeakPolarHBondContact O-CD2 2.98Å; L39-F43 PolarHBondContact O-N 3.42Å; L40-F43 HydrophobicContact CD2-CD2 4.36Å; L40-F43 PolarHBondContact O-N 2.68Å; F43-V46 PolarHBondContact O-N 3.35Å; F43-A47 VanDerWaalsContact O-CB 3.31Å; F43-A47 WeakPolarHBondContact O-CB 3.34Å; F43-A47 PolarHBondContact O-N 3.46Å
44A84.5Confident84.1Confident11 Ų1176.2 Ų76.29%0.09143%0.427CS..Hα-helixtrans-60.8-47.8174.700000111.2L40 A41 G42 A47 I48 F68L40-A44 VanDerWaalsContact O-CB 3.31Å; L40-A44 WeakPolarHBondContact O-CB 3.17Å; L40-A44 PolarHBondContact O-N 3.4Å; A41-A44 WeakPolarHBondContact O-CB 3.37Å; A41-A44 PolarHBondContact O-N 3.39Å; G42-A44 VanDerWaalsContact C-N 3.32Å; G42-A44 PolarHBondContact O-N 3.01Å; A44-A47 PolarHBondContact O-N 3.27Å; A44-I48 WeakPolarHBondContact O-CB 3.36Å; A44-I48 WeakPolarHBondContact O-CD1 3.29Å; A44-I48 WeakPolarHBondContact O-CG1 3.4Å; A44-I48 PolarHBondContact O-N 2.9Å; A44-F68 HydrophobicContact CB-CD2 4.12Å; A44-F68 HydrophobicContact CB-CE2 3.23Å; A44-F68 HydrophobicContact CB-CZ 3.57Å
45M89.1Confident83.1Confident134 Ų13477.7 Ų77.766%0.6643%0.433SS*.Hα-helixtrans-60.8-46.5178-180172.5-81.700110.8A41 G42 I48 I49A41-M45 WeakPolarHBondContact O-CB 3.49Å; A41-M45 PolarHBondContact O-N 3.1Å; G42-M45 PolarHBondContact O-N 3.5Å; M45-I48 PolarHBondContact O-N 3.25Å; M45-I49 WeakPolarHBondContact O-CG2 3.27Å; M45-I49 PolarHBondContact O-N 3.26Å
46V86Confident82.2Confident76 Ų7673 Ų7346%0.46144%0.437SS..Hα-helixtrans-61.4-44.4175.61760000111.4G42 F43 I48 I49 E50G42-V46 WeakPolarHBondContact O-CG2 3.48Å; G42-V46 PolarHBondContact O-N 3.4Å; F43-V46 PolarHBondContact O-N 3.35Å; V46-I48 VanDerWaalsContact C-N 3.34Å; V46-I48 PolarHBondContact O-N 2.91Å; V46-I49 WeakPolarHBondContact O-CG1 3.41Å; V46-I49 PolarHBondContact O-N 3.28Å; V46-E50 HydrophobicContact CG1-CG 4.25Å; V46-E50 WeakPolarHBondContact O-CB 3.31Å; V46-E50 VanDerWaalsContact O-CG 3.26Å; V46-E50 WeakPolarHBondContact O-CG 3.41Å; V46-E50 PolarHBondContact O-N 2.98Å
47A80.4Confident81.2Confident27 Ų2778 Ų7822%0.22346%0.456CS..Hα-helixtrans-63.4-39.1177.700000112.5F43 A44 E50 L51 L64F43-A47 VanDerWaalsContact O-CB 3.31Å; F43-A47 WeakPolarHBondContact O-CB 3.34Å; F43-A47 PolarHBondContact O-N 3.46Å; A44-A47 PolarHBondContact O-N 3.27Å; A47-E50 PolarHBondContact O-N 2.96Å; A47-L51 WeakPolarHBondContact O-CB 3.1Å; A47-L51 PolarHBondContact O-N 3.17Å; A47-L64 HydrophobicContact CB-CD2 3.76Å
48I83.1Confident79.6Confident85 Ų8581.1 Ų81.144%0.43648%0.477SS..Hα-helixtrans-66.3-41.5177.8-69.9163.6000110.8A44 M45 V46 Q52A44-I48 WeakPolarHBondContact O-CB 3.36Å; A44-I48 WeakPolarHBondContact O-CD1 3.29Å; A44-I48 WeakPolarHBondContact O-CG1 3.4Å; A44-I48 PolarHBondContact O-N 2.9Å; M45-I48 PolarHBondContact O-N 3.25Å; V46-I48 VanDerWaalsContact C-N 3.34Å; V46-I48 PolarHBondContact O-N 2.91Å; I48-Q52 VanDerWaalsContact CG2-NE2 3.31Å; I48-Q52 VanDerWaalsContact O-CG 3.31Å; I48-Q52 WeakPolarHBondContact O-CG 3.47Å; I48-Q52 PolarHBondContact O-N 2.92Å
49I89.4Confident78.3Confident87 Ų8787.1 Ų87.145%0.44649%0.491SS..Hα-helixtrans-66.3-43.3176.662.6173.4000111.4M45 V46 L51 Q52 V53M45-I49 WeakPolarHBondContact O-CG2 3.27Å; M45-I49 PolarHBondContact O-N 3.26Å; V46-I49 WeakPolarHBondContact O-CG1 3.41Å; V46-I49 PolarHBondContact O-N 3.28Å; I49-L51 VanDerWaalsContact C-N 3.35Å; I49-L51 PolarHBondContact O-N 2.86Å; I49-Q52 PolarHBondContact O-N 3.44Å; I49-V53 WeakPolarHBondContact O-CG2 3.44Å; I49-V53 PolarHBondContact O-N 3.26Å
50E81.6Confident77.1Confident124 Ų12484.5 Ų84.558%0.57948%0.481SS*.Hα-helixtrans-64.7-40.3178-69.1-66143.600111.1V46 A47 V53 A54V46-E50 HydrophobicContact CG1-CG 4.25Å; V46-E50 WeakPolarHBondContact O-CB 3.31Å; V46-E50 VanDerWaalsContact O-CG 3.26Å; V46-E50 WeakPolarHBondContact O-CG 3.41Å; V46-E50 PolarHBondContact O-N 2.98Å; A47-E50 PolarHBondContact O-N 2.96Å; E50-V53 PolarHBondContact O-N 3.13Å; E50-A54 WeakPolarHBondContact O-CB 3.43Å; E50-A54 PolarHBondContact O-N 3.32Å
51L77Confident76.2Confident53 Ų5388 Ų8828%0.27750%0.504SS..Hα-helixtrans-63.9-42.8177.4-177.966.3000112A47 I49 V53 A54 V55 P60 L65A47-L51 WeakPolarHBondContact O-CB 3.1Å; A47-L51 PolarHBondContact O-N 3.17Å; I49-L51 VanDerWaalsContact C-N 3.35Å; I49-L51 PolarHBondContact O-N 2.86Å; L51-V53 VanDerWaalsContact C-N 3.27Å; L51-V53 PolarHBondContact O-N 3.08Å; L51-A54 PolarHBondContact O-N 2.95Å; L51-V55 HydrophobicContact CD1-CG2 4.21Å; L51-V55 HydrophobicContact CG-CG2 4.35Å; L51-V55 VanDerWaalsContact O-CG2 3.23Å; L51-V55 WeakPolarHBondContact O-CG2 3.44Å; L51-V55 PolarHBondContact O-N 2.9Å; L51-P60 HydrophobicContact CD1-CB 3.48Å; L51-P60 VanDerWaalsContact CD1-CB 3.48Å; L51-L65 HydrophobicContact CD2-CD2 4.24Å
52Q80.2Confident75.2Confident141 Ų14192.7 Ų92.766%0.65952%0.516SS*.Hα-helixtrans-62.3-36.6177.6-75.5177.336.800112I48 I49I48-Q52 VanDerWaalsContact CG2-NE2 3.31Å; I48-Q52 VanDerWaalsContact O-CG 3.31Å; I48-Q52 WeakPolarHBondContact O-CG 3.47Å; I48-Q52 PolarHBondContact O-N 2.92Å; I49-Q52 PolarHBondContact O-N 3.44Å
53V77.7Confident74.3Confident109 Ų10993.6 Ų93.666%0.66153%0.525SS*.Hα-helixtrans-70.2-45.7175.1176.30000110.8I49 E50 L51 V55 G56I49-V53 WeakPolarHBondContact O-CG2 3.44Å; I49-V53 PolarHBondContact O-N 3.26Å; E50-V53 PolarHBondContact O-N 3.13Å; L51-V53 VanDerWaalsContact C-N 3.27Å; L51-V53 PolarHBondContact O-N 3.08Å; V53-V55 PolarHBondContact O-N 3.43Å; V53-G56 PolarHBondContact O-N 3.27Å
54A70.3Confident73.7Confident38 Ų3890.9 Ų90.931%0.31452%0.515SS..Hα-helixtrans-66.8-35.3-177.600000113.9E50 L51 G56 E57 S58E50-A54 WeakPolarHBondContact O-CB 3.43Å; E50-A54 PolarHBondContact O-N 3.32Å; L51-A54 PolarHBondContact O-N 2.95Å; A54-G56 PolarHBondContact O-N 2.83Å; A54-G56 VanDerWaalsContact O-N 3.16Å; A54-E57 PolarHBondContact O-N 3.45Å; A54-S58 PolarHBondContact O-N 3.3Å; A54-S58 VanDerWaalsContact O-O 3.12Å
55V67.7Low73.1Confident92 Ų9294.5 Ų94.556%0.55853%0.533SS*.THydrogen-bonded Turntrans-60.7-23.3176.6169.10000112.1L51 V53 E57L51-V55 HydrophobicContact CD1-CG2 4.21Å; L51-V55 HydrophobicContact CG-CG2 4.35Å; L51-V55 VanDerWaalsContact O-CG2 3.23Å; L51-V55 WeakPolarHBondContact O-CG2 3.44Å; L51-V55 PolarHBondContact O-N 2.9Å; V53-V55 PolarHBondContact O-N 3.43Å; V55-E57 VanDerWaalsContact C-N 3.27Å; V55-E57 PolarHBondContact O-N 3.28Å
56G67.9Low72.5Confident70 Ų7095 Ų9572%0.72253%0.531SS*.THydrogen-bonded Turntrans-67.2-24.4170.900000114.1V53 A54V53-G56 PolarHBondContact O-N 3.27Å; A54-G56 PolarHBondContact O-N 2.83Å; A54-G56 VanDerWaalsContact O-N 3.16Å
57E66.1Low71.9Confident177 Ų17792.2 Ų92.283%0.82752%0.516SS*.THydrogen-bonded Turntrans-115.6-37.9-169.4-157.2106.6165.700113.1A54 V55A54-E57 PolarHBondContact O-N 3.45Å; V55-E57 VanDerWaalsContact C-N 3.27Å; V55-E57 PolarHBondContact O-N 3.28Å
58S53.9Low71.6Confident81 Ų8194.5 Ų94.557%0.56652%0.521SS*.SBendtrans-165.3167.7-177.554.60000114.8A54A54-S58 PolarHBondContact O-N 3.3Å; A54-S58 VanDerWaalsContact O-O 3.12Å
59K61.4Low71.6Confident193 Ų19394.3 Ų94.384%0.83952%0.524SS*.  trans-54.9135.6-177.3-98.3177.6128.287.30111.9
60P61.3Low71.2Confident56 Ų5692.7 Ų92.736%0.36452%0.516SS..  trans-72143.8-177.430-36000112.7L51 E62L51-P60 HydrophobicContact CD1-CB 3.48Å; L51-P60 VanDerWaalsContact CD1-CB 3.48Å; P60-E62 PolarHBondContact O-N 3.03Å; P60-E62 VanDerWaalsContact O-N 3.16Å
61P63.8Low71.2Confident84 Ų8488 Ų8855%0.54550%0.495SS..  trans-74.3104.9175.428.2-32.2000111G63 L64P61-G63 PolarHBondContact O-N 3.32Å; P61-G63 VanDerWaalsContact O-N 3.08Å; P61-L64 PolarHBondContact O-N 3.1Å; P61-L64 VanDerWaalsContact O-N 3.15Å
62E67.9Low71.5Confident160 Ų16087.4 Ų87.475%0.74850%0.495SS*.Hα-helixtrans-53.7-29.9-178.3-63177.2178.900113.6P60 L64 L65 F66P60-E62 PolarHBondContact O-N 3.03Å; P60-E62 VanDerWaalsContact O-N 3.16Å; E62-L64 VanDerWaalsContact C-N 3.27Å; E62-L64 PolarHBondContact O-N 3.21Å; E62-L65 PolarHBondContact O-N 3.1Å; E62-F66 PolarHBondContact O-N 2.97Å
63G68.8Low71.9Confident52 Ų5284.5 Ų84.554%0.53649%0.489SS..Hα-helixtrans-62.5-29.4-179.500000114.5P61 A67P61-G63 PolarHBondContact O-N 3.32Å; P61-G63 VanDerWaalsContact O-N 3.08Å; G63-A67 WeakPolarHBondContact O-CB 3.39Å; G63-A67 PolarHBondContact O-N 3.34Å; G63-A67 VanDerWaalsContact O-N 3.07Å
64L68.7Low72.2Confident58 Ų5880.8 Ų80.830%0.30447%0.466SS..Hα-helixtrans-73.7-39.8-177.5-158150.3000111.4A47 P61 E62 A67 F68 H139A47-L64 HydrophobicContact CB-CD2 3.76Å; P61-L64 PolarHBondContact O-N 3.1Å; P61-L64 VanDerWaalsContact O-N 3.15Å; E62-L64 VanDerWaalsContact C-N 3.27Å; E62-L64 PolarHBondContact O-N 3.21Å; L64-A67 PolarHBondContact O-N 3.41Å; L64-F68 WeakPolarHBondContact O-CB 3.44Å; L64-F68 PolarHBondContact O-N 3.41Å; L64-H139 WeakPolarHBondContact CD1-NE2 3.44Å
65L72.1Confident72.7Confident88 Ų8880.7 Ų80.746%0.46146%0.46SS..Hα-helixtrans-64.1-41.5174.9-66.2174.2000111.5L51 E62 F68 T69L51-L65 HydrophobicContact CD2-CD2 4.24Å; E62-L65 PolarHBondContact O-N 3.1Å; L65-F68 PolarHBondContact O-N 2.76Å; L65-T69 WeakPolarHBondContact O-CB 3.24Å; L65-T69 PolarHBondContact O-N 2.99Å; L65-T69 PolarHBondContact O-OG1 3.17Å
66F75.9Confident73.8Confident143 Ų14380.6 Ų80.663%0.62746%0.459SS*.Hα-helixtrans-63.9-46178-173.3-104.2000111.6E62 F68 T69 I70E62-F66 PolarHBondContact O-N 2.97Å; F66-F68 PolarHBondContact O-N 3.26Å; F66-T69 WeakPolarHBondContact O-CB 3.4Å; F66-T69 PolarHBondContact O-N 3.31Å; F66-I70 HydrophobicContact CD1-CD1 3.83Å; F66-I70 HydrophobicContact CE1-CD1 3.33Å; F66-I70 HydrophobicContact CE1-CG1 4.33Å; F66-I70 HydrophobicContact CZ-CD1 3.74Å; F66-I70 HydrophobicContact CZ-CG1 4.44Å; F66-I70 PolarHBondContact O-N 2.94Å; F66-I70 VanDerWaalsContact O-N 3.09Å
67A73.6Confident74.7Confident18 Ų1880 Ų8015%0.14944%0.442CS..Hα-helixtrans-56.8-47.817400000112.4G63 L64 T69 I70 L71 V135G63-A67 WeakPolarHBondContact O-CB 3.39Å; G63-A67 PolarHBondContact O-N 3.34Å; G63-A67 VanDerWaalsContact O-N 3.07Å; L64-A67 PolarHBondContact O-N 3.41Å; A67-T69 VanDerWaalsContact C-N 3.3Å; A67-T69 PolarHBondContact O-N 3.21Å; A67-I70 PolarHBondContact O-N 2.95Å; A67-L71 WeakPolarHBondContact O-CB 3.35Å; A67-L71 PolarHBondContact O-N 3.22Å; A67-L71 VanDerWaalsContact O-N 3.07Å; A67-V135 HydrophobicContact CB-CG1 3.43Å; A67-V135 VanDerWaalsContact CB-CG1 3.43Å
68F75.7Confident75.6Confident75 Ų7572.9 Ų72.933%0.32941%0.41SS..Hα-helixtrans-61.5-37.8177.5177.7-110000112.7A44 L64 L65 F66 L71 S72A44-F68 HydrophobicContact CB-CD2 4.12Å; A44-F68 HydrophobicContact CB-CE2 3.23Å; A44-F68 HydrophobicContact CB-CZ 3.57Å; L64-F68 WeakPolarHBondContact O-CB 3.44Å; L64-F68 PolarHBondContact O-N 3.41Å; L65-F68 PolarHBondContact O-N 2.76Å; F66-F68 PolarHBondContact O-N 3.26Å; F68-L71 PolarHBondContact O-N 2.92Å; F68-S72 WeakPolarHBondContact CZ-OG 3.37Å; F68-S72 WeakPolarHBondContact O-CB 3.48Å; F68-S72 PolarHBondContact O-N 2.93Å; F68-S72 PolarHBondContact O-OG 3.12Å
69T81.8Confident77.1Confident81 Ų8172.7 Ų72.750%0.49740%0.4SS..Hα-helixtrans-65-49178.7-580000111.4L65 F66 A67 L71 S72 C73L65-T69 WeakPolarHBondContact O-CB 3.24Å; L65-T69 PolarHBondContact O-N 2.99Å; L65-T69 PolarHBondContact O-OG1 3.17Å; F66-T69 WeakPolarHBondContact O-CB 3.4Å; F66-T69 PolarHBondContact O-N 3.31Å; A67-T69 VanDerWaalsContact C-N 3.3Å; A67-T69 PolarHBondContact O-N 3.21Å; T69-L71 VanDerWaalsContact C-N 3.28Å; T69-L71 PolarHBondContact O-N 2.97Å; T69-S72 PolarHBondContact O-N 3.09Å; T69-C73 PolarHBondContact O-N 3.17Å
70I82.3Confident78.4Confident54 Ų5468.7 Ų68.728%0.27739%0.387SS..Hα-helixtrans-58.9-45.4177.2-67.6174000110.2F66 A67 S72 C73 L74F66-I70 HydrophobicContact CD1-CD1 3.83Å; F66-I70 HydrophobicContact CE1-CD1 3.33Å; F66-I70 HydrophobicContact CE1-CG1 4.33Å; F66-I70 HydrophobicContact CZ-CD1 3.74Å; F66-I70 HydrophobicContact CZ-CG1 4.44Å; F66-I70 PolarHBondContact O-N 2.94Å; F66-I70 VanDerWaalsContact O-N 3.09Å; A67-I70 PolarHBondContact O-N 2.95Å; I70-S72 VanDerWaalsContact C-N 3.33Å; I70-S72 PolarHBondContact O-N 3.49Å; I70-C73 WeakPolarHBondContact O-CB 3.44Å; I70-C73 PolarHBondContact O-N 3.46Å; I70-L74 HydrophobicContact CG2-CD1 4.08Å; I70-L74 WeakPolarHBondContact O-CG 3.28Å; I70-L74 PolarHBondContact O-N 3.34Å
71L81.3Confident79.5Confident26 Ų2667.8 Ų67.814%0.13638%0.378CS..Hα-helixtrans-61.5-41.4-179.8-174.749.3000112.6L40 A67 F68 T69 L74 L75 F132L40-L71 HydrophobicContact CD1-CD1 3.61Å; L40-L71 HydrophobicContact CD1-CD2 4.42Å; L40-L71 HydrophobicContact CD1-CG 3.75Å; L40-L71 HydrophobicContact CD2-CD1 3.78Å; L40-L71 HydrophobicContact CD2-CD2 3.34Å; L40-L71 HydrophobicContact CD2-CG 3.65Å; L40-L71 HydrophobicContact CG-CD1 4.32Å; L40-L71 HydrophobicContact CG-CD2 4.4Å; L40-L71 HydrophobicContact CG-CG 4.26Å; A67-L71 WeakPolarHBondContact O-CB 3.35Å; A67-L71 PolarHBondContact O-N 3.22Å; A67-L71 VanDerWaalsContact O-N 3.07Å; F68-L71 PolarHBondContact O-N 2.92Å; T69-L71 VanDerWaalsContact C-N 3.28Å; T69-L71 PolarHBondContact O-N 2.97Å; L71-L74 PolarHBondContact O-N 3.4Å; L71-L75 PolarHBondContact O-N 3.34Å; L71-F132 HydrophobicContact CD1-CB 4.4Å; L71-F132 HydrophobicContact CD1-CD2 3.44Å; L71-F132 VanDerWaalsContact CD1-CD2 3.44Å; L71-F132 HydrophobicContact CD1-CE2 4.1Å; L71-F132 HydrophobicContact CD1-CG 4.31Å; L71-F132 HydrophobicContact CD2-CD2 4.01Å; L71-F132 HydrophobicContact CD2-CE2 4Å; L71-F132 HydrophobicContact CG-CD2 4.35Å
72S83.8Confident80.5Confident39 Ų3964 Ų6427%0.27335%0.354SS..Hα-helixtrans-65-41.7175.2-60.80000111.9F68 T69 I70 L74 L75 V76F68-S72 WeakPolarHBondContact CZ-OG 3.37Å; F68-S72 WeakPolarHBondContact O-CB 3.48Å; F68-S72 PolarHBondContact O-N 2.93Å; F68-S72 PolarHBondContact O-OG 3.12Å; T69-S72 PolarHBondContact O-N 3.09Å; I70-S72 VanDerWaalsContact C-N 3.33Å; I70-S72 PolarHBondContact O-N 3.49Å; S72-L74 PolarHBondContact O-N 3.36Å; S72-L75 WeakPolarHBondContact O-CB 3.19Å; S72-L75 PolarHBondContact O-N 2.95Å; S72-V76 WeakPolarHBondContact O-CG2 3.49Å; S72-V76 PolarHBondContact O-N 2.88Å
73C87.7Confident81.3Confident81 Ų8160.6 Ų60.655%0.54734%0.344SS..Hα-helixtrans-58.9-45.5173.8-92.60000112.1T69 I70 L75 V76 V77T69-C73 PolarHBondContact O-N 3.17Å; I70-C73 WeakPolarHBondContact O-CB 3.44Å; I70-C73 PolarHBondContact O-N 3.46Å; C73-L75 VanDerWaalsContact C-N 3.33Å; C73-L75 PolarHBondContact O-N 3.32Å; C73-V76 WeakPolarHBondContact O-CB 3.43Å; C73-V76 PolarHBondContact O-N 3.08Å; C73-V77 WeakPolarHBondContact O-CG2 3.44Å; C73-V77 PolarHBondContact O-N 3.09Å
74L83.6Confident82.2Confident31 Ų3161 Ų6116%0.16233%0.333CS..Hα-helixtrans-65.5-37.4177.7-66.4168.2000112I70 L71 S72 V76 V77 V78 L131I70-L74 HydrophobicContact CG2-CD1 4.08Å; I70-L74 WeakPolarHBondContact O-CG 3.28Å; I70-L74 PolarHBondContact O-N 3.34Å; L71-L74 PolarHBondContact O-N 3.4Å; S72-L74 PolarHBondContact O-N 3.36Å; L74-V76 VanDerWaalsContact C-N 3.32Å; L74-V76 PolarHBondContact O-N 3.12Å; L74-V77 WeakPolarHBondContact O-CB 3.49Å; L74-V77 PolarHBondContact O-N 3.39Å; L74-V77 VanDerWaalsContact O-N 3.16Å; L74-V78 WeakPolarHBondContact O-CG2 3.45Å; L74-V78 PolarHBondContact O-N 3Å; L74-L131 HydrophobicContact CD1-CB 3.53Å; L74-L131 HydrophobicContact CD1-CD1 3.7Å; L74-L131 HydrophobicContact CD1-CG 4.27Å; L74-L131 HydrophobicContact CD2-CD1 3.82Å; L74-L131 HydrophobicContact CG-CD1 4.32Å
75L82.3Confident82.9Confident35 Ų3558.9 Ų58.918%0.18332%0.321CS..Hα-helixtrans-59.6-45.4174.8-17062.1000111.7V36 S37 L40 L71 S72 C73 V77 V78 H79V36-L75 HydrophobicContact CG1-CD1 4.36Å; S37-L75 WeakPolarHBondContact OG-CD1 3.37Å; L40-L75 HydrophobicContact CB-CD2 4.48Å; L40-L75 HydrophobicContact CD1-CB 4.2Å; L40-L75 HydrophobicContact CD1-CD1 3.83Å; L40-L75 HydrophobicContact CD1-CD2 4.13Å; L40-L75 HydrophobicContact CD1-CG 4.28Å; L71-L75 PolarHBondContact O-N 3.34Å; S72-L75 WeakPolarHBondContact O-CB 3.19Å; S72-L75 PolarHBondContact O-N 2.95Å; C73-L75 VanDerWaalsContact C-N 3.33Å; C73-L75 PolarHBondContact O-N 3.32Å; L75-V77 VanDerWaalsContact C-N 3.3Å; L75-V77 PolarHBondContact O-N 3.49Å; L75-V78 PolarHBondContact O-N 3.13Å; L75-H79 PolarHBondContact O-N 3.33Å
76V89.4Confident83.4Confident90 Ų9057.4 Ų57.455%0.54532%0.318SS..Hα-helixtrans-58.1-45174.2172.80000110.1S72 C73 L74 V78 H79 I80S72-V76 WeakPolarHBondContact O-CG2 3.49Å; S72-V76 PolarHBondContact O-N 2.88Å; C73-V76 WeakPolarHBondContact O-CB 3.43Å; C73-V76 PolarHBondContact O-N 3.08Å; L74-V76 VanDerWaalsContact C-N 3.32Å; L74-V76 PolarHBondContact O-N 3.12Å; V76-V78 PolarHBondContact O-N 3.44Å; V76-H79 PolarHBondContact O-N 3.36Å; V76-I80 HydrophobicContact CG1-CG1 4.27Å; V76-I80 WeakPolarHBondContact O-CG1 3.5Å; V76-I80 PolarHBondContact O-N 2.97Å
77V86.9Confident83.7Confident59 Ų5955.1 Ų55.136%0.35832%0.316SS..Hα-helixtrans-56.8-50.5176.2174.30000111.1C73 L74 L75 H79 I80 M81C73-V77 WeakPolarHBondContact O-CG2 3.44Å; C73-V77 PolarHBondContact O-N 3.09Å; L74-V77 WeakPolarHBondContact O-CB 3.49Å; L74-V77 PolarHBondContact O-N 3.39Å; L74-V77 VanDerWaalsContact O-N 3.16Å; L75-V77 VanDerWaalsContact C-N 3.3Å; L75-V77 PolarHBondContact O-N 3.49Å; V77-H79 VanDerWaalsContact C-N 3.28Å; V77-H79 PolarHBondContact O-N 3.08Å; V77-I80 PolarHBondContact O-N 3.44Å; V77-M81 HydrophobicContact CG1-CE 4.13Å; V77-M81 HydrophobicContact CG1-CG 4.38Å; V77-M81 WeakPolarHBondContact O-CG 3.31Å; V77-M81 PolarHBondContact O-N 3Å
78V85.3Confident83.8Confident26 Ų2656.3 Ų56.316%0.15832%0.323CS..Hα-helixtrans-63.1-35.6179.8-175.10000111.6T33 L74 L75 V76 M81 A82T33-V78 VanDerWaalsContact CB-CG1 3.47Å; T33-V78 HydrophobicContact CG2-CG1 4.42Å; T33-V78 WeakPolarHBondContact OG1-CG1 3.49Å; L74-V78 WeakPolarHBondContact O-CG2 3.45Å; L74-V78 PolarHBondContact O-N 3Å; L75-V78 PolarHBondContact O-N 3.13Å; V76-V78 PolarHBondContact O-N 3.44Å; V78-M81 PolarHBondContact O-N 2.93Å; V78-A82 PolarHBondContact O-N 2.85Å
79H85Confident83.6Confident78 Ų7853.6 Ų53.636%0.36131%0.311SS..Hα-helixtrans-65-47.9175.6-86.714.5000113.1T33 S37 L75 V76 V77 M81 A82 V83T33-H79 PolarHBondContact OG1-CE1 3.41Å; T33-H79 PolarHBondContact OG1-ND1 2.95Å; T33-H79 VanDerWaalsContact OG1-ND1 3.08Å; S37-H79 PolarHBondContact OG-CE1 2.94Å; S37-H79 PolarHBondContact OG-NE2 3.35Å; L75-H79 PolarHBondContact O-N 3.33Å; V76-H79 PolarHBondContact O-N 3.36Å; V77-H79 VanDerWaalsContact C-N 3.28Å; V77-H79 PolarHBondContact O-N 3.08Å; H79-M81 PolarHBondContact O-N 3.18Å; H79-A82 PolarHBondContact O-N 3.44Å; H79-A82 VanDerWaalsContact O-N 3.12Å; H79-V83 WeakPolarHBondContact O-CG2 3.13Å; H79-V83 PolarHBondContact O-N 3.33Å; H79-V83 VanDerWaalsContact O-N 3.08Å
80I88.7Confident83.2Confident109 Ų10954.9 Ų54.956%0.55932%0.315SS*.Hα-helixtrans-60.7-38.9176-61.6-56.4000110.5V76 V77 A82 V83 M84V76-I80 HydrophobicContact CG1-CG1 4.27Å; V76-I80 WeakPolarHBondContact O-CG1 3.5Å; V76-I80 PolarHBondContact O-N 2.97Å; V77-I80 PolarHBondContact O-N 3.44Å; I80-A82 VanDerWaalsContact C-N 3.34Å; I80-A82 PolarHBondContact O-N 3.38Å; I80-V83 PolarHBondContact O-N 2.9Å; I80-M84 WeakPolarHBondContact O-CB 3.37Å; I80-M84 PolarHBondContact O-N 3.47Å
81M85.8Confident82.4Confident36 Ų3656.2 Ų56.218%0.17733%0.327CS..Hα-helixtrans-63.4-38.6175.6-63.7-73.9162.500112.7V77 V78 H79 M84 I85 W121V77-M81 HydrophobicContact CG1-CE 4.13Å; V77-M81 HydrophobicContact CG1-CG 4.38Å; V77-M81 WeakPolarHBondContact O-CG 3.31Å; V77-M81 PolarHBondContact O-N 3Å; V78-M81 PolarHBondContact O-N 2.93Å; H79-M81 PolarHBondContact O-N 3.18Å; M81-M84 HydrophobicContact CE-CE 4.48Å; M81-M84 WeakPolarHBondContact O-CB 3.44Å; M81-M84 PolarHBondContact O-N 3.48Å; M81-M84 HydrophobicContact SD-CE 3.28Å; M81-M84 WeakPolarHBondContact SD-CE 3.38Å; M81-I85 WeakPolarHBondContact O-CG1 3.25Å; M81-I85 PolarHBondContact O-N 2.93Å; M81-W121 HydrophobicContact CB-CG 4.49Å; M81-W121 HydrophobicContact SD-CB 4.47Å
82A83.8Confident81.7Confident6 Ų657 Ų575%0.0533%0.33CS..Hα-helixtrans-68.9-36179.500000112.3L30 T33 V78 H79 I80 S86L30-A82 HydrophobicContact CD1-CB 3.34Å; T33-A82 HydrophobicContact CG2-CB 4.05Å; V78-A82 PolarHBondContact O-N 2.85Å; H79-A82 PolarHBondContact O-N 3.44Å; H79-A82 VanDerWaalsContact O-N 3.12Å; I80-A82 VanDerWaalsContact C-N 3.34Å; I80-A82 PolarHBondContact O-N 3.38Å; A82-S86 PolarHBondContact O-N 2.87Å; A82-S86 PolarHBondContact O-OG 3.49Å
83V85.1Confident80.8Confident88 Ų8858.8 Ų58.853%0.53334%0.335SS..Hα-helixtrans-63.2-46.5170.2174.50000110.3H79 I80 I85 S86 T87H79-V83 WeakPolarHBondContact O-CG2 3.13Å; H79-V83 PolarHBondContact O-N 3.33Å; H79-V83 VanDerWaalsContact O-N 3.08Å; I80-V83 PolarHBondContact O-N 2.9Å; V83-I85 PolarHBondContact O-N 3.44Å; V83-S86 WeakPolarHBondContact O-CB 3.31Å; V83-S86 PolarHBondContact O-N 3.18Å; V83-S86 VanDerWaalsContact O-N 3.1Å; V83-T87 PolarHBondContact O-N 2.89Å; V83-T87 PolarHBondContact O-OG1 3.31Å
84M87.1Confident79.7Confident61 Ų6159.2 Ų59.230%0.333%0.333SS..Hα-helixtrans-57.2-48.7179.5-177.9176.150.800111.9I80 M81 S86 T87 C88 V117I80-M84 WeakPolarHBondContact O-CB 3.37Å; I80-M84 PolarHBondContact O-N 3.47Å; M81-M84 HydrophobicContact CE-CE 4.48Å; M81-M84 WeakPolarHBondContact O-CB 3.44Å; M81-M84 PolarHBondContact O-N 3.48Å; M81-M84 HydrophobicContact SD-CE 3.28Å; M81-M84 WeakPolarHBondContact SD-CE 3.38Å; M84-S86 VanDerWaalsContact C-N 3.27Å; M84-S86 PolarHBondContact O-N 3.41Å; M84-T87 PolarHBondContact O-N 3.26Å; M84-C88 WeakPolarHBondContact O-CB 3.48Å; M84-C88 PolarHBondContact O-N 2.9Å; M84-C88 PolarHBondContact O-SG 2.91Å; M84-V117 HydrophobicContact CE-CG1 3.47Å; M84-V117 VanDerWaalsContact CE-CG1 3.47Å; M84-V117 HydrophobicContact CG-CG1 3.93Å; M84-V117 HydrophobicContact SD-CB 4.5Å; M84-V117 HydrophobicContact SD-CG1 3.64Å; M84-V117 HydrophobicContact SD-CG2 4.09Å
85I83.8Confident78.7Confident13 Ų1361 Ų617%0.06735%0.347CS..Hα-helixtrans-61.8-37178.3-63168.4000111.5S26 K29 M81 V83 C88 I89 W121S26-I85 WeakPolarHBondContact OG-CG2 3.24Å; K29-I85 HydrophobicContact CD-CD1 4.1Å; M81-I85 WeakPolarHBondContact O-CG1 3.25Å; M81-I85 PolarHBondContact O-N 2.93Å; V83-I85 PolarHBondContact O-N 3.44Å; I85-C88 PolarHBondContact O-N 3.36Å; I85-I89 HydrophobicContact CG2-CD1 4.19Å; I85-I89 WeakPolarHBondContact O-CG1 3.26Å; I85-I89 PolarHBondContact O-N 2.96Å; I85-W121 HydrophobicContact CD1-CB 4.3Å; I85-W121 HydrophobicContact CD1-CD2 3.87Å; I85-W121 HydrophobicContact CD1-CE3 4.45Å; I85-W121 HydrophobicContact CD1-CG 3.74Å
86S82.9Confident77.4Confident56 Ų5664.2 Ų64.239%0.39236%0.358SS..Hα-helixtrans-66.5-47179.3-58.30000111.5A82 V83 M84 C88 I89A82-S86 PolarHBondContact O-N 2.87Å; A82-S86 PolarHBondContact O-OG 3.49Å; V83-S86 WeakPolarHBondContact O-CB 3.31Å; V83-S86 PolarHBondContact O-N 3.18Å; V83-S86 VanDerWaalsContact O-N 3.1Å; M84-S86 VanDerWaalsContact C-N 3.27Å; M84-S86 PolarHBondContact O-N 3.41Å; S86-C88 VanDerWaalsContact C-N 3.32Å; S86-C88 PolarHBondContact O-N 2.89Å; S86-I89 PolarHBondContact O-N 3.21Å
87T81.3Confident75.9Confident95 Ų9565.3 Ų65.358%0.58337%0.365SS*.Hα-helixtrans-66.7-32.9177.7-53.10000111.9V83 M84 I89 P91V83-T87 PolarHBondContact O-N 2.89Å; V83-T87 PolarHBondContact O-OG1 3.31Å; M84-T87 PolarHBondContact O-N 3.26Å; T87-I89 VanDerWaalsContact C-N 3.32Å; T87-I89 PolarHBondContact O-N 2.94Å; T87-P91 WeakPolarHBondContact O-CD 3.47Å
88C75.6Confident74.5Confident43 Ų4367.3 Ų67.329%0.29138%0.377SS..Hα-helixtrans-67.7-27177.2-67.20000113.6M84 I85 S86 P91 R114M84-C88 WeakPolarHBondContact O-CB 3.48Å; M84-C88 PolarHBondContact O-N 2.9Å; M84-C88 PolarHBondContact O-SG 2.91Å; I85-C88 PolarHBondContact O-N 3.36Å; S86-C88 VanDerWaalsContact C-N 3.32Å; S86-C88 PolarHBondContact O-N 2.89Å; C88-P91 WeakPolarHBondContact O-CD 3.26Å; C88-P91 WeakPolarHBondContact O-CG 3.13Å; C88-R114 PolarHBondContact O-NH2 2.84Å
89I72.3Confident72.7Confident18 Ų1871.1 Ų71.19%0.09240%0.402CS..Hα-helixtrans-79.8-31.3-177.5-70.9168.2000113.3S26 I85 S86 T87 H92S26-I89 WeakPolarHBondContact OG-CD1 3.25Å; I85-I89 HydrophobicContact CG2-CD1 4.19Å; I85-I89 WeakPolarHBondContact O-CG1 3.26Å; I85-I89 PolarHBondContact O-N 2.96Å; S86-I89 PolarHBondContact O-N 3.21Å; T87-I89 VanDerWaalsContact C-N 3.32Å; T87-I89 PolarHBondContact O-N 2.94Å; I89-H92 WeakPolarHBondContact O-CB 3.12Å; I89-H92 PolarHBondContact O-N 3.34Å; I89-H92 VanDerWaalsContact O-N 3.14Å
90L73.2Confident71.3Confident108 Ų10872.2 Ų72.257%0.56541%0.408SS*.Hα-helixtrans-55.9-48.2-179.1-146.569.7000114.4H92 I93L90-H92 PolarHBondContact O-N 2.83Å; L90-H92 VanDerWaalsContact O-N 3.1Å; L90-I93 HydrophobicContact CD1-CD1 4.12Å; L90-I93 WeakPolarHBondContact O-CG1 3.4Å; L90-I93 PolarHBondContact O-N 2.83Å
91P65.1Low69.5Low82 Ų8274.3 Ų74.353%0.53242%0.42SS..Hα-helixtrans-63.8-22.1179.424.2-34.9000113.6T87 C88 S95T87-P91 WeakPolarHBondContact O-CD 3.47Å; C88-P91 WeakPolarHBondContact O-CD 3.26Å; C88-P91 WeakPolarHBondContact O-CG 3.13Å; P91-S95 PolarHBondContact O-N 3.42Å; P91-S95 PolarHBondContact O-OG 3.26Å
92H67.5Low67.9Low44 Ų4478.5 Ų78.520%0.20445%0.451CS..Hα-helixtrans-76.3-32.4-179.2-174.161.6000112.5I89 L90 S95 Y96I89-H92 WeakPolarHBondContact O-CB 3.12Å; I89-H92 PolarHBondContact O-N 3.34Å; I89-H92 VanDerWaalsContact O-N 3.14Å; L90-H92 PolarHBondContact O-N 2.83Å; L90-H92 VanDerWaalsContact O-N 3.1Å; H92-S95 PolarHBondContact O-OG 3.17Å; H92-Y96 AromaticContact CD2-CE2 3.9Å; H92-Y96 AromaticContact CE1-CE2 3.63Å; H92-Y96 AromaticContact CE1-CZ 3.67Å; H92-Y96 PolarHBondContact CE1-OH 3.04Å; H92-Y96 AromaticContact ND1-CE2 3.94Å; H92-Y96 AromaticContact NE2-CE2 3.62Å; H92-Y96 AromaticContact NE2-CZ 3.85Å; H92-Y96 PolarHBondContact NE2-OH 2.97Å; H92-Y96 WeakPolarHBondContact O-CD2 3.42Å; H92-Y96 WeakPolarHBondContact O-CE2 3.28Å
93I64.5Low66.4Low75 Ų7583.8 Ų83.839%0.38547%0.471SS..Hα-helixtrans-75.1-36.4177.156.5162.7000111.9L90 Y96L90-I93 HydrophobicContact CD1-CD1 4.12Å; L90-I93 WeakPolarHBondContact O-CG1 3.4Å; L90-I93 PolarHBondContact O-N 2.83Å; I93-Y96 PolarHBondContact O-N 3.45Å
94D65.3Low64.8Low91 Ų9185.8 Ų85.849%0.48748%0.478SS..Hα-helixtrans-71.8-32.5-177.5-66.5-24.3000111.5Y96 T97D94-Y96 PolarHBondContact O-N 3.41Å; D94-T97 PolarHBondContact O-N 3.38Å; D94-T97 VanDerWaalsContact O-N 3.1Å; D94-T97 PolarHBondContact O-OG1 3.29Å
95S61.7Low63.1Low67 Ų6791 Ų9147%0.46951%0.505SS..G310 helixtrans-64.7-23179.361.50000114.4P91 H92 T97P91-S95 PolarHBondContact O-N 3.42Å; P91-S95 PolarHBondContact O-OG 3.26Å; H92-S95 PolarHBondContact O-OG 3.17Å; S95-T97 PolarHBondContact O-N 3.48Å
96Y56.1Low61.6Low104 Ų10496.1 Ų96.141%0.40853%0.529SS..G310 helixtrans-74.3-13.7176.2-70-75.3000113.3H92 I93 D94H92-Y96 AromaticContact CD2-CE2 3.9Å; H92-Y96 AromaticContact CE1-CE2 3.63Å; H92-Y96 AromaticContact CE1-CZ 3.67Å; H92-Y96 PolarHBondContact CE1-OH 3.04Å; H92-Y96 AromaticContact ND1-CE2 3.94Å; H92-Y96 AromaticContact NE2-CE2 3.62Å; H92-Y96 AromaticContact NE2-CZ 3.85Å; H92-Y96 PolarHBondContact NE2-OH 2.97Å; H92-Y96 WeakPolarHBondContact O-CD2 3.42Å; H92-Y96 WeakPolarHBondContact O-CE2 3.28Å; I93-Y96 PolarHBondContact O-N 3.45Å; D94-Y96 PolarHBondContact O-N 3.41Å
97T56.9Low60.2Low113 Ų113102.5 Ų102.569%0.69355%0.553SS**G310 helixtrans-91.7-14.5178.266.70000113.3D94 S95D94-T97 PolarHBondContact O-N 3.38Å; D94-T97 VanDerWaalsContact O-N 3.1Å; D94-T97 PolarHBondContact O-OG1 3.29Å; S95-T97 PolarHBondContact O-N 3.48Å
98V57.8Low59.2Low100 Ų10099.1 Ų99.161%0.60653%0.534SS*.SBendtrans-86126.7178-175.70000108.6Q100V98-Q100 PolarHBondContact O-N 3.01Å
99P47.6Very low58.3Low107 Ų107101.1 Ų101.170%0.69555%0.546SS*.  trans-53138.4179.5-25.233.4000112.3D101P99-D101 VanDerWaalsContact C-N 3.31Å; P99-D101 PolarHBondContact O-N 3.46Å
100Q56.2Low58Low101 Ų101105.1 Ų105.147%0.47256%0.564SS.*SBendtrans-74.261.2-158.8-164.9-172.5-3300112.9V98 Y103V98-Q100 PolarHBondContact O-N 3.01Å; Q100-Y103 VanDerWaalsContact C-CD1 3.41Å; Q100-Y103 HydrophobicContact CB-CD1 4.34Å; Q100-Y103 HydrophobicContact CB-CE1 4.26Å; Q100-Y103 HydrophobicContact CG-CD1 3.64Å; Q100-Y103 HydrophobicContact CG-CD2 4.09Å; Q100-Y103 HydrophobicContact CG-CE1 3.51Å; Q100-Y103 HydrophobicContact CG-CE2 3.85Å; Q100-Y103 HydrophobicContact CG-CG 3.96Å; Q100-Y103 VanDerWaalsContact NE2-CZ 3.28Å; Q100-Y103 PolarHBondContact NE2-OH 3.25Å; Q100-Y103 WeakPolarHBondContact O-CD1 3.41Å; Q100-Y103 WeakPolarHBondContact O-CE1 3.47Å
101D50.8Low57.8Low152 Ų152104.4 Ų104.481%0.81356%0.561SS**SBendtrans-121.6-8.4179.3-73.9-32.7000115.2P99P99-D101 VanDerWaalsContact C-N 3.31Å; P99-D101 PolarHBondContact O-N 3.46Å
102C51.1Low58.3Low125 Ų125110.4 Ų110.485%0.84557%0.573SS**SBendtrans-116.147.3173.2-159.40000111.7
103Y53.2Low58.9Low116 Ų116113.8 Ų113.846%0.45559%0.592SS.*SBendtrans-124.8-12.4-175.475.6-65.6000114.2Q100Q100-Y103 VanDerWaalsContact C-CD1 3.41Å; Q100-Y103 HydrophobicContact CB-CD1 4.34Å; Q100-Y103 HydrophobicContact CB-CE1 4.26Å; Q100-Y103 HydrophobicContact CG-CD1 3.64Å; Q100-Y103 HydrophobicContact CG-CD2 4.09Å; Q100-Y103 HydrophobicContact CG-CE1 3.51Å; Q100-Y103 HydrophobicContact CG-CE2 3.85Å; Q100-Y103 HydrophobicContact CG-CG 3.96Å; Q100-Y103 VanDerWaalsContact NE2-CZ 3.28Å; Q100-Y103 PolarHBondContact NE2-OH 3.25Å; Q100-Y103 WeakPolarHBondContact O-CD1 3.41Å; Q100-Y103 WeakPolarHBondContact O-CE1 3.47Å
104L50.6Low59.5Low131 Ų131112.2 Ų112.269%0.68658%0.582SS**SBendtrans-97.7-11.9-176.1-70.3-167.1000116
105I51.3Low60.2Low171 Ų171111.1 Ų111.188%0.87758%0.578SS**SBendtrans-110.2-15.4-176.5-61.1174.5000112.5
106E52.2Low61.4Low120 Ų120115.2 Ų115.256%0.56159%0.588SS**  trans-125.678.8174.3-142.5-166.8139.200107.6A108 P109E106-A108 HydrophobicContact CB-CB 4.35Å; E106-A108 HydrophobicContact CG-CB 4.2Å; E106-A108 VanDerWaalsContact O-CA 3.24Å; E106-A108 WeakPolarHBondContact O-CA 3.41Å; E106-A108 VanDerWaalsContact O-CB 3.24Å; E106-A108 WeakPolarHBondContact O-CB 3.35Å; E106-A108 PolarHBondContact O-N 3.16Å; E106-P109 WeakPolarHBondContact OE1-CD 3.41Å
107E53.2Low62.7Low190 Ų190111.3 Ų111.389%0.88858%0.575SS**  trans-5778.9157.341.9171.5-178.700107.9
108A60.9Low64Low23 Ų23108.8 Ų108.819%0.1956%0.555CS.*  trans-70.7145.7-138.800000112.8E106 H110 N111E106-A108 HydrophobicContact CB-CB 4.35Å; E106-A108 HydrophobicContact CG-CB 4.2Å; E106-A108 VanDerWaalsContact O-CA 3.24Å; E106-A108 WeakPolarHBondContact O-CA 3.41Å; E106-A108 VanDerWaalsContact O-CB 3.24Å; E106-A108 WeakPolarHBondContact O-CB 3.35Å; E106-A108 PolarHBondContact O-N 3.16Å; A108-H110 WeakPolarHBondContact CA-ND1 3.25Å; A108-H110 HydrophobicContact CB-CB 4.35Å; A108-H110 WeakPolarHBondContact CB-ND1 3.46Å; A108-H110 PolarHBondContact O-N 3.01Å; A108-H110 PolarHBondContact O-ND1 2.74Å; A108-N111 PolarHBondContact O-N 2.94Å
109P55.8Low65.3Low85 Ų85108.1 Ų108.155%0.55255%0.551SS**Hα-helixtrans-49.7-14.9172.720.8-33.4000113.9E106 N111 R112 L113E106-P109 WeakPolarHBondContact OE1-CD 3.41Å; P109-N111 PolarHBondContact O-N 3.45Å; P109-R112 PolarHBondContact O-N 3.32Å; P109-L113 PolarHBondContact O-N 3.46Å
110H67.6Low67.1Low102 Ų102104.8 Ų104.847%0.47253%0.532SS..Hα-helixtrans-53.8-43.6173.782.7-67.9000115.1A108 R112 L113 R114A108-H110 WeakPolarHBondContact CA-ND1 3.25Å; A108-H110 HydrophobicContact CB-CB 4.35Å; A108-H110 WeakPolarHBondContact CB-ND1 3.46Å; A108-H110 PolarHBondContact O-N 3.01Å; A108-H110 PolarHBondContact O-ND1 2.74Å; H110-R112 VanDerWaalsContact C-N 3.34Å; H110-L113 PolarHBondContact O-N 3.02Å; H110-R114 WeakPolarHBondContact O-CB 3.39Å; H110-R114 PolarHBondContact O-N 3.08Å
111N68.4Low68.3Low93 Ų93101.8 Ų101.850%0.49752%0.517SS..Hα-helixtrans-70.2-36.3-177.4-175.257.7000110.8A108 P109 T115A108-N111 PolarHBondContact O-N 2.94Å; P109-N111 PolarHBondContact O-N 3.45Å; N111-T115 WeakPolarHBondContact O-CB 3.43Å; N111-T115 PolarHBondContact O-N 3.37Å; N111-T115 PolarHBondContact O-OG1 3.28Å
112R75.5Confident70Confident208 Ų20898.6 Ų98.679%0.78550%0.499SS*.Hα-helixtrans-65.6-43.9173.5-57.8-138.685.5-1293.6111.2P109 H110 T115 F116P109-R112 PolarHBondContact O-N 3.32Å; H110-R112 VanDerWaalsContact C-N 3.34Å; R112-T115 PolarHBondContact O-N 2.91Å; R112-F116 WeakPolarHBondContact O-CB 3.26Å; R112-F116 PolarHBondContact O-N 3.49Å
113L79.5Confident71.6Confident115 Ų11596.3 Ų96.360%0.60248%0.484SS*.Hα-helixtrans-62-46.5176-179.662.9000111.8P109 H110 T115 F116 V117P109-L113 PolarHBondContact O-N 3.46Å; H110-L113 PolarHBondContact O-N 3.02Å; L113-T115 PolarHBondContact O-N 3.36Å; L113-F116 WeakPolarHBondContact O-CB 3.23Å; L113-F116 PolarHBondContact O-N 3.47Å; L113-V117 WeakPolarHBondContact O-CG2 3.39Å; L113-V117 PolarHBondContact O-N 3.23Å
114R77.5Confident73.1Confident43 Ų4392.4 Ų92.416%0.16247%0.473CS..Hα-helixtrans-59.1-47176.2172-176.1-76.7-881.9111.7C88 H110 F116 V117 E118C88-R114 PolarHBondContact O-NH2 2.84Å; H110-R114 WeakPolarHBondContact O-CB 3.39Å; H110-R114 PolarHBondContact O-N 3.08Å; R114-F116 VanDerWaalsContact C-N 3.29Å; R114-F116 PolarHBondContact O-N 3.41Å; R114-V117 WeakPolarHBondContact O-CB 3.48Å; R114-V117 PolarHBondContact O-N 3.12Å; R114-E118 PolarHBondContact O-N 3.26Å
115T80.5Confident74.6Confident68 Ų6887.9 Ų87.942%0.41745%0.451SS..Hα-helixtrans-62.1-41.2179.3-55.40000110.3N111 R112 L113 E118 V119N111-T115 WeakPolarHBondContact O-CB 3.43Å; N111-T115 PolarHBondContact O-N 3.37Å; N111-T115 PolarHBondContact O-OG1 3.28Å; R112-T115 PolarHBondContact O-N 2.91Å; L113-T115 PolarHBondContact O-N 3.36Å; T115-E118 PolarHBondContact O-N 3.05Å; T115-V119 HydrophobicContact CG2-CG2 4.47Å; T115-V119 VanDerWaalsContact O-CG2 3.29Å; T115-V119 WeakPolarHBondContact O-CG2 3.21Å; T115-V119 PolarHBondContact O-N 3.41Å
116F85.9Confident76.3Confident153 Ų15383.2 Ų83.267%0.67143%0.43SS*.Hα-helixtrans-62-44.1175.4-173.2-98.2000112.3R112 L113 R114 E118 V119 A120R112-F116 WeakPolarHBondContact O-CB 3.26Å; R112-F116 PolarHBondContact O-N 3.49Å; L113-F116 WeakPolarHBondContact O-CB 3.23Å; L113-F116 PolarHBondContact O-N 3.47Å; R114-F116 VanDerWaalsContact C-N 3.29Å; R114-F116 PolarHBondContact O-N 3.41Å; F116-E118 VanDerWaalsContact C-N 3.33Å; F116-E118 PolarHBondContact O-N 3.29Å; F116-V119 PolarHBondContact O-N 2.86Å; F116-A120 VanDerWaalsContact O-CB 3.31Å; F116-A120 WeakPolarHBondContact O-CB 3.46Å; F116-A120 PolarHBondContact O-N 3.28Å
117V84.8Confident77.7Confident22 Ų2280.4 Ų80.413%0.13342%0.421CS..Hα-helixtrans-59.9-42.2174.5164.60000111.7M84 L113 R114 A120 W121M84-V117 HydrophobicContact CE-CG1 3.47Å; M84-V117 VanDerWaalsContact CE-CG1 3.47Å; M84-V117 HydrophobicContact CG-CG1 3.93Å; M84-V117 HydrophobicContact SD-CB 4.5Å; M84-V117 HydrophobicContact SD-CG1 3.64Å; M84-V117 HydrophobicContact SD-CG2 4.09Å; L113-V117 WeakPolarHBondContact O-CG2 3.39Å; L113-V117 PolarHBondContact O-N 3.23Å; R114-V117 WeakPolarHBondContact O-CB 3.48Å; R114-V117 PolarHBondContact O-N 3.12Å; V117-A120 PolarHBondContact O-N 3.43Å; V117-W121 WeakPolarHBondContact O-CB 3.49Å; V117-W121 PolarHBondContact O-N 3.38Å
118E82.7Confident79.1Confident59 Ų5971.9 Ų71.928%0.27638%0.384SS..Hα-helixtrans-68.5-41.3178.2-177.8157.6-151.600112.4K29 R114 T115 F116 W121 I122K29-E118 IonicContact NZ-OE1 2.71Å; K29-E118 PolarHBondContact NZ-OE1 2.81Å; R114-E118 PolarHBondContact O-N 3.26Å; T115-E118 PolarHBondContact O-N 3.05Å; F116-E118 VanDerWaalsContact C-N 3.33Å; F116-E118 PolarHBondContact O-N 3.29Å; E118-W121 HydrophobicContact CG-CE3 4.4Å; E118-W121 WeakPolarHBondContact O-CB 3.39Å; E118-W121 PolarHBondContact O-N 3.4Å; E118-I122 HydrophobicContact CG-CD1 4.48Å; E118-I122 WeakPolarHBondContact O-CG1 3.46Å; E118-I122 PolarHBondContact O-N 3.29Å
119V85.5Confident80.1Confident87 Ų8775.2 Ų75.253%0.52740%0.398SS..Hα-helixtrans-63.6-44.3174.4172.90000110.8T115 F116 W121 I122 C123T115-V119 HydrophobicContact CG2-CG2 4.47Å; T115-V119 VanDerWaalsContact O-CG2 3.29Å; T115-V119 WeakPolarHBondContact O-CG2 3.21Å; T115-V119 PolarHBondContact O-N 3.41Å; F116-V119 PolarHBondContact O-N 2.86Å; V119-W121 VanDerWaalsContact C-N 3.28Å; V119-W121 PolarHBondContact O-N 3.3Å; V119-I122 PolarHBondContact O-N 2.95Å; V119-C123 PolarHBondContact O-N 3.33Å
120A85.8Confident81.4Confident36 Ų3676.1 Ų76.130%0.29840%0.397SS..Hα-helixtrans-58.5-41.6174.800000111.3F116 V117 C123 S124F116-A120 VanDerWaalsContact O-CB 3.31Å; F116-A120 WeakPolarHBondContact O-CB 3.46Å; F116-A120 PolarHBondContact O-N 3.28Å; V117-A120 PolarHBondContact O-N 3.43Å; A120-C123 WeakPolarHBondContact O-CB 3.29Å; A120-C123 PolarHBondContact O-N 3.13Å; A120-S124 PolarHBondContact O-N 2.86Å; A120-S124 PolarHBondContact O-OG 3.42Å; A120-S124 VanDerWaalsContact O-OG 3.09Å
121W82.1Confident81.9Confident38 Ų3874 Ų7414%0.14439%0.389CS..Hα-helixtrans-63-46175.7166.967000113.1K29 M81 I85 V117 E118 V119 C123 S124 T125K29-W121 HydrophobicContact CB-CH2 4.42Å; K29-W121 HydrophobicContact CB-CZ2 3.91Å; K29-W121 HydrophobicContact CD-CD2 4.16Å; K29-W121 HydrophobicContact CD-CE3 3.97Å; K29-W121 HydrophobicContact CD-CH2 3.25Å; K29-W121 HydrophobicContact CD-CZ2 3.39Å; K29-W121 HydrophobicContact CD-CZ3 3.56Å; K29-W121 HydrophobicContact CG-CH2 3.44Å; K29-W121 VanDerWaalsContact CG-CH2 3.44Å; K29-W121 HydrophobicContact CG-CZ2 3.43Å; K29-W121 VanDerWaalsContact CG-CZ2 3.43Å; K29-W121 HydrophobicContact CG-CZ3 4.25Å; M81-W121 HydrophobicContact CB-CG 4.49Å; M81-W121 HydrophobicContact SD-CB 4.47Å; I85-W121 HydrophobicContact CD1-CB 4.3Å; I85-W121 HydrophobicContact CD1-CD2 3.87Å; I85-W121 HydrophobicContact CD1-CE3 4.45Å; I85-W121 HydrophobicContact CD1-CG 3.74Å; V117-W121 WeakPolarHBondContact O-CB 3.49Å; V117-W121 PolarHBondContact O-N 3.38Å; E118-W121 HydrophobicContact CG-CE3 4.4Å; E118-W121 WeakPolarHBondContact O-CB 3.39Å; E118-W121 PolarHBondContact O-N 3.4Å; V119-W121 VanDerWaalsContact C-N 3.28Å; V119-W121 PolarHBondContact O-N 3.3Å; W121-C123 VanDerWaalsContact C-N 3.27Å; W121-C123 PolarHBondContact O-N 3.41Å; W121-S124 PolarHBondContact O-N 3.17Å; W121-T125 PolarHBondContact NE1-OG1 3.27Å; W121-T125 PolarHBondContact O-N 2.81Å; W121-T125 PolarHBondContact O-OG1 2.94Å
122I85.7Confident82.4Confident86 Ų8672 Ų7244%0.44138%0.376SS..Hα-helixtrans-59.4-44.8177.2-64.5168.5000109.2E118 V119 S124 T125 V126E118-I122 HydrophobicContact CG-CD1 4.48Å; E118-I122 WeakPolarHBondContact O-CG1 3.46Å; E118-I122 PolarHBondContact O-N 3.29Å; V119-I122 PolarHBondContact O-N 2.95Å; I122-S124 PolarHBondContact O-N 3.44Å; I122-T125 PolarHBondContact O-N 3.42Å; I122-V126 HydrophobicContact CG2-CG2 4.39Å; I122-V126 WeakPolarHBondContact O-CG2 3.36Å; I122-V126 PolarHBondContact O-N 3.46Å
123C86.1Confident82.7Confident77 Ų7766.8 Ų66.852%0.5236%0.363SS..Hα-helixtrans-57.7-48.1176-171.10000111.9V119 A120 W121 T125 V126 V127V119-C123 PolarHBondContact O-N 3.33Å; A120-C123 WeakPolarHBondContact O-CB 3.29Å; A120-C123 PolarHBondContact O-N 3.13Å; W121-C123 VanDerWaalsContact C-N 3.27Å; W121-C123 PolarHBondContact O-N 3.41Å; C123-T125 VanDerWaalsContact C-N 3.27Å; C123-T125 PolarHBondContact O-N 3.29Å; C123-V126 PolarHBondContact O-N 2.89Å; C123-V127 WeakPolarHBondContact O-CG2 3.34Å; C123-V127 PolarHBondContact O-N 2.85Å
124S83.6Confident82.4Confident33 Ų3362.4 Ų62.423%0.23134%0.343CS..Hα-helixtrans-61.2-34.7177-59.40000113.1A120 W121 I122 G128A120-S124 PolarHBondContact O-N 2.86Å; A120-S124 PolarHBondContact O-OG 3.42Å; A120-S124 VanDerWaalsContact O-OG 3.09Å; W121-S124 PolarHBondContact O-N 3.17Å; I122-S124 PolarHBondContact O-N 3.44Å; S124-G128 PolarHBondContact O-N 2.84Å
125T83.3Confident82.1Confident36 Ų3661.8 Ų61.822%0.22134%0.344CS..Hα-helixtrans-70.9-43.2178.6-42.50000110.9W121 I122 C123 G128 I129W121-T125 PolarHBondContact NE1-OG1 3.27Å; W121-T125 PolarHBondContact O-N 2.81Å; W121-T125 PolarHBondContact O-OG1 2.94Å; I122-T125 PolarHBondContact O-N 3.42Å; C123-T125 VanDerWaalsContact C-N 3.27Å; C123-T125 PolarHBondContact O-N 3.29Å; T125-G128 PolarHBondContact O-N 3.43Å; T125-I129 HydrophobicContact CG2-CD1 4.08Å; T125-I129 WeakPolarHBondContact O-CB 3.33Å; T125-I129 VanDerWaalsContact O-CG1 3.24Å; T125-I129 WeakPolarHBondContact O-CG1 3.43Å; T125-I129 PolarHBondContact O-N 3.43Å
126V85.2Confident81.7Confident74 Ų7462.2 Ų62.245%0.44834%0.343SS..Hα-helixtrans-63.7-48177.9173.70000110.8I122 C123 G128 I129 I130I122-V126 HydrophobicContact CG2-CG2 4.39Å; I122-V126 WeakPolarHBondContact O-CG2 3.36Å; I122-V126 PolarHBondContact O-N 3.46Å; C123-V126 PolarHBondContact O-N 2.89Å; V126-G128 VanDerWaalsContact C-N 3.32Å; V126-G128 PolarHBondContact O-N 2.91Å; V126-I129 PolarHBondContact O-N 3.07Å; V126-I130 HydrophobicContact CG1-CD1 3.74Å; V126-I130 HydrophobicContact CG1-CG1 4.42Å; V126-I130 VanDerWaalsContact O-CG1 3.31Å; V126-I130 WeakPolarHBondContact O-CG1 3.43Å; V126-I130 PolarHBondContact O-N 3.43Å
127V81.7Confident81.1Confident60 Ų6057.6 Ų57.636%0.36433%0.328SS..Hα-helixtrans-61-42.6176.3174.30000110.8C123 I129 I130 L131C123-V127 WeakPolarHBondContact O-CG2 3.34Å; C123-V127 PolarHBondContact O-N 2.85Å; V127-I129 PolarHBondContact O-N 3.38Å; V127-I130 PolarHBondContact O-N 2.97Å; V127-L131 HydrophobicContact CG1-CD1 3.74Å; V127-L131 HydrophobicContact CG1-CG 4.36Å; V127-L131 WeakPolarHBondContact O-CB 3.44Å; V127-L131 VanDerWaalsContact O-CG 3.31Å; V127-L131 WeakPolarHBondContact O-CG 3.38Å; V127-L131 PolarHBondContact O-N 3.39Å
128G82.4Confident80.2Confident11 Ų1159.1 Ų59.111%0.11334%0.339CS..Hα-helixtrans-60.5-42.7175.800000113.4S124 T125 V126 F132S124-G128 PolarHBondContact O-N 2.84Å; T125-G128 PolarHBondContact O-N 3.43Å; V126-G128 VanDerWaalsContact C-N 3.32Å; V126-G128 PolarHBondContact O-N 2.91Å; G128-F132 VanDerWaalsContact O-CB 3.28Å; G128-F132 WeakPolarHBondContact O-CB 3.42Å; G128-F132 PolarHBondContact O-N 3.25Å
129I82.9Confident79.5Confident93 Ų9361 Ų6148%0.47735%0.348SS..Hα-helixtrans-67.6-45177-69.3166000111.1T125 V126 V127 L131 F132 L133T125-I129 HydrophobicContact CG2-CD1 4.08Å; T125-I129 WeakPolarHBondContact O-CB 3.33Å; T125-I129 VanDerWaalsContact O-CG1 3.24Å; T125-I129 WeakPolarHBondContact O-CG1 3.43Å; T125-I129 PolarHBondContact O-N 3.43Å; V126-I129 PolarHBondContact O-N 3.07Å; V127-I129 PolarHBondContact O-N 3.38Å; I129-L131 VanDerWaalsContact C-N 3.34Å; I129-L131 PolarHBondContact O-N 3.35Å; I129-F132 PolarHBondContact O-N 3.22Å; I129-L133 HydrophobicContact CG2-CD1 3.9Å; I129-L133 HydrophobicContact CG2-CG 4.38Å; I129-L133 WeakPolarHBondContact O-CB 3.42Å; I129-L133 WeakPolarHBondContact O-CG 3.39Å; I129-L133 PolarHBondContact O-N 3.41Å
130I83Confident78.5Confident104 Ų10459.8 Ų59.853%0.53334%0.343SS..Hα-helixtrans-61.1-45.5178.6-69.8169.6000110.3V126 V127 L133 A134V126-I130 HydrophobicContact CG1-CD1 3.74Å; V126-I130 HydrophobicContact CG1-CG1 4.42Å; V126-I130 VanDerWaalsContact O-CG1 3.31Å; V126-I130 WeakPolarHBondContact O-CG1 3.43Å; V126-I130 PolarHBondContact O-N 3.43Å; V127-I130 PolarHBondContact O-N 2.97Å; I130-L133 PolarHBondContact O-N 3.39Å; I130-A134 VanDerWaalsContact O-CB 3.25Å; I130-A134 WeakPolarHBondContact O-CB 3.41Å; I130-A134 PolarHBondContact O-N 3.11Å
131L77.3Confident77.1Confident57 Ų5759.6 Ų59.630%0.29834%0.339SS..Hα-helixtrans-65.8-41.4177.2-71.8170.7000111.8L74 V127 I129 A134 V135L74-L131 HydrophobicContact CD1-CB 3.53Å; L74-L131 HydrophobicContact CD1-CD1 3.7Å; L74-L131 HydrophobicContact CD1-CG 4.27Å; L74-L131 HydrophobicContact CD2-CD1 3.82Å; L74-L131 HydrophobicContact CG-CD1 4.32Å; V127-L131 HydrophobicContact CG1-CD1 3.74Å; V127-L131 HydrophobicContact CG1-CG 4.36Å; V127-L131 WeakPolarHBondContact O-CB 3.44Å; V127-L131 VanDerWaalsContact O-CG 3.31Å; V127-L131 WeakPolarHBondContact O-CG 3.38Å; V127-L131 PolarHBondContact O-N 3.39Å; I129-L131 VanDerWaalsContact C-N 3.34Å; I129-L131 PolarHBondContact O-N 3.35Å; L131-A134 PolarHBondContact O-N 2.85Å; L131-V135 WeakPolarHBondContact O-CB 3.38Å; L131-V135 VanDerWaalsContact O-CG2 3.23Å; L131-V135 WeakPolarHBondContact O-CG2 3.07Å; L131-V135 PolarHBondContact O-N 3.34Å
132F80Confident75.8Confident53 Ų5363 Ų6323%0.23236%0.36CS..Hα-helixtrans-59.6-47.8174.9178.1-115.5000112L40 L71 G128 I129 V135 L136L40-F132 HydrophobicContact CD2-CD2 4.24Å; L40-F132 HydrophobicContact CD2-CE2 3.57Å; L40-F132 HydrophobicContact CD2-CZ 4.26Å; L71-F132 HydrophobicContact CD1-CB 4.4Å; L71-F132 HydrophobicContact CD1-CD2 3.44Å; L71-F132 VanDerWaalsContact CD1-CD2 3.44Å; L71-F132 HydrophobicContact CD1-CE2 4.1Å; L71-F132 HydrophobicContact CD1-CG 4.31Å; L71-F132 HydrophobicContact CD2-CD2 4.01Å; L71-F132 HydrophobicContact CD2-CE2 4Å; L71-F132 HydrophobicContact CG-CD2 4.35Å; G128-F132 VanDerWaalsContact O-CB 3.28Å; G128-F132 WeakPolarHBondContact O-CB 3.42Å; G128-F132 PolarHBondContact O-N 3.25Å; I129-F132 PolarHBondContact O-N 3.22Å; F132-V135 PolarHBondContact O-N 2.88Å; F132-L136 HydrophobicContact CD1-CD1 4.1Å; F132-L136 HydrophobicContact CD2-CD1 4.48Å; F132-L136 HydrophobicContact CE1-CD1 3.58Å; F132-L136 HydrophobicContact CE2-CD1 4.03Å; F132-L136 HydrophobicContact CE2-CD2 4.46Å; F132-L136 HydrophobicContact CE2-CG 4.2Å; F132-L136 HydrophobicContact CZ-CD1 3.57Å; F132-L136 HydrophobicContact CZ-CG 4.24Å; F132-L136 WeakPolarHBondContact O-CG 2.96Å; F132-L136 PolarHBondContact O-N 2.92Å
133L80.9Confident74.3Confident97 Ų9764.3 Ų64.351%0.50837%0.368SS..Hα-helixtrans-62.8-45.9176.2-72.9172.2000111.5I129 I130 V135 L136 V137I129-L133 HydrophobicContact CG2-CD1 3.9Å; I129-L133 HydrophobicContact CG2-CG 4.38Å; I129-L133 WeakPolarHBondContact O-CB 3.42Å; I129-L133 WeakPolarHBondContact O-CG 3.39Å; I129-L133 PolarHBondContact O-N 3.41Å; I130-L133 PolarHBondContact O-N 3.39Å; L133-V135 VanDerWaalsContact C-N 3.3Å; L133-V135 PolarHBondContact O-N 3.33Å; L133-L136 PolarHBondContact O-N 2.95Å; L133-V137 WeakPolarHBondContact O-CB 3.48Å; L133-V137 VanDerWaalsContact O-CG2 3.25Å; L133-V137 WeakPolarHBondContact O-CG2 3.2Å; L133-V137 PolarHBondContact O-N 3.44Å
134A73.8Confident72.6Confident23 Ų2363.3 Ų63.319%0.1936%0.361CS..Hα-helixtrans-61.4-38.3179.400000112.2I130 L131 C138 I159I130-A134 VanDerWaalsContact O-CB 3.25Å; I130-A134 WeakPolarHBondContact O-CB 3.41Å; I130-A134 PolarHBondContact O-N 3.11Å; L131-A134 PolarHBondContact O-N 2.85Å; A134-C138 VanDerWaalsContact O-CB 3.26Å; A134-C138 WeakPolarHBondContact O-CB 3.26Å; A134-C138 PolarHBondContact O-N 3.29Å; A134-I159 HydrophobicContact CB-CD1 4.37Å
135V71.1Confident71.2Confident31 Ų3169.9 Ų69.919%0.18839%0.386CS..Hα-helixtrans-69.6-44177.4168.60000111.6A67 L131 F132 L133 V137 C138 H139A67-V135 HydrophobicContact CB-CG1 3.43Å; A67-V135 VanDerWaalsContact CB-CG1 3.43Å; L131-V135 WeakPolarHBondContact O-CB 3.38Å; L131-V135 VanDerWaalsContact O-CG2 3.23Å; L131-V135 WeakPolarHBondContact O-CG2 3.07Å; L131-V135 PolarHBondContact O-N 3.34Å; F132-V135 PolarHBondContact O-N 2.88Å; L133-V135 VanDerWaalsContact C-N 3.3Å; L133-V135 PolarHBondContact O-N 3.33Å; V135-V137 VanDerWaalsContact C-N 3.31Å; V135-V137 PolarHBondContact O-N 3.23Å; V135-C138 PolarHBondContact O-N 3.5Å; V135-H139 WeakPolarHBondContact O-CB 3.45Å; V135-H139 PolarHBondContact O-N 3.03Å
136L72.4Confident69.9Low76 Ų7675.1 Ų75.140%0.39841%0.412SS..Hα-helixtrans-60.8-41.8174.7-72.9177.4000111.9F132 L133 H139 S140F132-L136 HydrophobicContact CD1-CD1 4.1Å; F132-L136 HydrophobicContact CD2-CD1 4.48Å; F132-L136 HydrophobicContact CE1-CD1 3.58Å; F132-L136 HydrophobicContact CE2-CD1 4.03Å; F132-L136 HydrophobicContact CE2-CD2 4.46Å; F132-L136 HydrophobicContact CE2-CG 4.2Å; F132-L136 HydrophobicContact CZ-CD1 3.57Å; F132-L136 HydrophobicContact CZ-CG 4.24Å; F132-L136 WeakPolarHBondContact O-CG 2.96Å; F132-L136 PolarHBondContact O-N 2.92Å; L133-L136 PolarHBondContact O-N 2.95Å; L136-H139 PolarHBondContact O-N 3.19Å; L136-S140 WeakPolarHBondContact O-CB 3.31Å; L136-S140 PolarHBondContact O-N 3.41Å; L136-S140 PolarHBondContact O-OG 2.92Å
137V73.4Confident68.5Low56 Ų5676.3 Ų76.334%0.33942%0.42SS..Hα-helixtrans-64.6-41.7174.7172.90000110.5L133 V135 S140 C141L133-V137 WeakPolarHBondContact O-CB 3.48Å; L133-V137 VanDerWaalsContact O-CG2 3.25Å; L133-V137 WeakPolarHBondContact O-CG2 3.2Å; L133-V137 PolarHBondContact O-N 3.44Å; V135-V137 VanDerWaalsContact C-N 3.31Å; V135-V137 PolarHBondContact O-N 3.23Å; V137-S140 WeakPolarHBondContact CA-OG 3.31Å; V137-S140 PolarHBondContact O-OG 3.44Å; V137-S140 VanDerWaalsContact O-OG 3.08Å; V137-C141 WeakPolarHBondContact O-CB 3.43Å; V137-C141 PolarHBondContact O-N 3.21Å
138C66Low67.3Low55 Ų5576.6 Ų76.637%0.37244%0.436SS..Hα-helixtrans-65.7-43.3177.3-1690000112.2A134 V135 C141 N142A134-C138 VanDerWaalsContact O-CB 3.26Å; A134-C138 WeakPolarHBondContact O-CB 3.26Å; A134-C138 PolarHBondContact O-N 3.29Å; V135-C138 PolarHBondContact O-N 3.5Å; C138-C141 PolarHBondContact O-N 2.99Å; C138-N142 PolarHBondContact O-N 2.81Å; C138-N142 PolarHBondContact O-ND2 2.95Å
139H66.4Low65.9Low99 Ų9982.9 Ų82.946%0.45846%0.462SS..Hα-helixtrans-61.1-52.5176.2178-90.6000111.5L64 V135 L136 C141 N142 N143L64-H139 WeakPolarHBondContact CD1-NE2 3.44Å; V135-H139 WeakPolarHBondContact O-CB 3.45Å; V135-H139 PolarHBondContact O-N 3.03Å; L136-H139 PolarHBondContact O-N 3.19Å; H139-C141 PolarHBondContact O-N 3.33Å; H139-N142 PolarHBondContact O-N 3.09Å; H139-N143 PolarHBondContact O-N 3.22Å
140S64.5Low64.7Low60 Ų6082.7 Ų82.742%0.4247%0.474SS..Hα-helixtrans-62.3-32.717650.80000112.1L136 V137 N143 C144L136-S140 WeakPolarHBondContact O-CB 3.31Å; L136-S140 PolarHBondContact O-N 3.41Å; L136-S140 PolarHBondContact O-OG 2.92Å; V137-S140 WeakPolarHBondContact CA-OG 3.31Å; V137-S140 PolarHBondContact O-OG 3.44Å; V137-S140 VanDerWaalsContact O-OG 3.08Å; S140-N143 PolarHBondContact O-N 3Å; S140-C144 PolarHBondContact O-N 3.32Å; S140-C144 PolarHBondContact O-SG 2.84Å; S140-C144 VanDerWaalsContact O-SG 3.39Å
141C57.4Low63.4Low33 Ų3385.7 Ų85.722%0.22349%0.485CS..Hα-helixtrans-71.2-29.7177.4-164.50000113.8V137 C138 H139 C144 F145 F152V137-C141 WeakPolarHBondContact O-CB 3.43Å; V137-C141 PolarHBondContact O-N 3.21Å; C138-C141 PolarHBondContact O-N 2.99Å; H139-C141 PolarHBondContact O-N 3.33Å; C141-C144 PolarHBondContact O-N 2.89Å; C141-F145 PolarHBondContact O-N 3.41Å; C141-F152 WeakPolarHBondContact SG-CB 3.48Å
142N54Low62.5Low110 Ų11087.8 Ų87.859%0.58849%0.492SS*.Hα-helixtrans-65-41.8171.4-76.7-67.7000110.8C138 H139 F145C138-N142 PolarHBondContact O-N 2.81Å; C138-N142 PolarHBondContact O-ND2 2.95Å; H139-N142 PolarHBondContact O-N 3.09Å; N142-F145 PolarHBondContact O-N 3.42Å
143N54Low61.3Low112 Ų11293.8 Ų93.860%0.59951%0.513SS*.Hα-helixtrans-66.9-35.9173.2-16363.4000112.2H139 S140 F145 D146 T147H139-N143 PolarHBondContact O-N 3.22Å; S140-N143 PolarHBondContact O-N 3Å; N143-F145 VanDerWaalsContact C-N 3.32Å; N143-F145 PolarHBondContact O-N 3.04Å; N143-D146 WeakPolarHBondContact O-CB 3.39Å; N143-D146 PolarHBondContact O-N 2.96Å; N143-T147 PolarHBondContact O-N 3.47Å
144C52.1Low60.4Low57 Ų5796.1 Ų96.139%0.38552%0.521SS..Hα-helixtrans-70.9-22.7174.3-74.30000113.8S140 C141 D146 T147 G148S140-C144 PolarHBondContact O-N 3.32Å; S140-C144 PolarHBondContact O-SG 2.84Å; S140-C144 VanDerWaalsContact O-SG 3.39Å; C141-C144 PolarHBondContact O-N 2.89Å; C144-D146 VanDerWaalsContact C-N 3.26Å; C144-T147 CarbonylContact O-C 3.06Å; C144-T147 WeakPolarHBondContact O-CA 3.45Å; C144-T147 PolarHBondContact O-N 3.39Å; C144-T147 VanDerWaalsContact O-N 3.14Å; C144-G148 PolarHBondContact O-N 3.3Å
145F52.4Low60Low170 Ų170100.8 Ų100.875%0.74654%0.538SS*.Hα-helixtrans-68.7-32.1174.7-168.8-100.7000111.1C141 N142 N143 T147C141-F145 PolarHBondContact O-N 3.41Å; N142-F145 PolarHBondContact O-N 3.42Å; N143-F145 VanDerWaalsContact C-N 3.32Å; N143-F145 PolarHBondContact O-N 3.04Å; F145-T147 PolarHBondContact O-N 3.44Å
146D56.6Low59.6Low146 Ų146106.6 Ų106.678%0.78156%0.556SS**Hα-helixtrans-67.7-30.1171.1-150.219.8000111.3N143 C144N143-D146 WeakPolarHBondContact O-CB 3.39Å; N143-D146 PolarHBondContact O-N 2.96Å; C144-D146 VanDerWaalsContact C-N 3.26Å
147T56.8Low59.4Low99 Ų99108.4 Ų108.461%0.60756%0.562SS**THydrogen-bonded Turntrans-103.152.4174.6-35.80000112.6N143 C144 F145 H149N143-T147 PolarHBondContact O-N 3.47Å; C144-T147 CarbonylContact O-C 3.06Å; C144-T147 WeakPolarHBondContact O-CA 3.45Å; C144-T147 PolarHBondContact O-N 3.39Å; C144-T147 VanDerWaalsContact O-N 3.14Å; F145-T147 PolarHBondContact O-N 3.44Å; T147-H149 PolarHBondContact O-CD2 3.15Å; T147-H149 PolarHBondContact O-N 3.28Å; T147-H149 VanDerWaalsContact O-N 3.11Å
148G55.4Low59.3Low67 Ų67110.5 Ų110.569%0.69157%0.57SS**THydrogen-bonded Turntrans6224.3145.100000122.3C144C144-G148 PolarHBondContact O-N 3.3Å
149H52.7Low59.4Low143 Ų143110.6 Ų110.666%0.66257%0.567SS**  trans-121.7107.2175.9-76.5-92.4000115.2T147 H151T147-H149 PolarHBondContact O-CD2 3.15Å; T147-H149 PolarHBondContact O-N 3.28Å; T147-H149 VanDerWaalsContact O-N 3.11Å; H149-H151 VanDerWaalsContact C-N 3.32Å; H149-H151 PolarHBondContact O-N 2.76Å
150A58.3Low59.6Low89 Ų89111.6 Ų111.674%0.73658%0.575SS**G310 helixtrans-67.9-11.2-173.200000117F152A150-F152 VanDerWaalsContact C-N 3.29Å; A150-F152 PolarHBondContact O-N 3.22Å
151H56.5Low60.1Low166 Ų166111.6 Ų111.677%0.76958%0.575SS**G310 helixtrans-69.7-19.7-173.2-86.6-99.4000114.6H149 R153H149-H151 VanDerWaalsContact C-N 3.32Å; H149-H151 PolarHBondContact O-N 2.76Å; H151-R153 PolarHBondContact O-N 2.94Å
152F57Low60.6Low102 Ų102113.8 Ų113.845%0.44759%0.589SS.*G310 helixtrans-86-3.4-174.3-76.4-86.4000115.3C141 A150 H154 F155 R156C141-F152 WeakPolarHBondContact SG-CB 3.48Å; A150-F152 VanDerWaalsContact C-N 3.29Å; A150-F152 PolarHBondContact O-N 3.22Å; F152-H154 PolarHBondContact O-N 3.14Å; F152-F155 PolarHBondContact O-N 3.47Å; F152-R156 PolarHBondContact O-N 3.35Å
153R55.4Low61.2Low179 Ų179111.1 Ų111.168%0.67558%0.583SS**Hα-helixtrans-60.5-32.6177.5-175.4170175169.2-2.5112.9H151 H157H151-R153 PolarHBondContact O-N 2.94Å; R153-H157 PolarHBondContact O-N 3.48Å
154H61.9Low62.2Low146 Ų146114.4 Ų114.468%0.67659%0.588SS**Hα-helixtrans-71.4-37.6179.8-67.6-54.2000113F152 R156 H157 I158F152-H154 PolarHBondContact O-N 3.14Å; H154-R156 VanDerWaalsContact C-N 3.33Å; H154-R156 PolarHBondContact O-N 3.07Å; H154-H157 PolarHBondContact O-N 3.44Å; H154-I158 PolarHBondContact O-N 3.35Å; H154-I158 VanDerWaalsContact O-N 3.12Å
155F66.3Low63.3Low121 Ų121120.3 Ų120.353%0.53160%0.604SS.*Hα-helixtrans-66.1-38.3178.6-124.2-93.3000111.5F152 H157 I158 I159F152-F155 PolarHBondContact O-N 3.47Å; F155-H157 VanDerWaalsContact C-N 3.31Å; F155-H157 PolarHBondContact O-N 3.29Å; F155-I158 PolarHBondContact O-N 2.91Å; F155-I159 HydrophobicContact CD1-CD1 4.11Å; F155-I159 WeakPolarHBondContact O-CG1 3.47Å; F155-I159 PolarHBondContact O-N 3.23Å
156R62.2Low64.2Low152 Ų152118.7 Ų118.757%0.57460%0.602SS**Hα-helixtrans-60.2-39.3174.3-159-179.983.2-161.87.7112.3F152 H154 L160F152-R156 PolarHBondContact O-N 3.35Å; H154-R156 VanDerWaalsContact C-N 3.33Å; H154-R156 PolarHBondContact O-N 3.07Å; R156-L160 WeakPolarHBondContact O-CB 3.49Å; R156-L160 PolarHBondContact O-N 3.33Å
157H68.6Low64.9Low114 Ų114120.3 Ų120.353%0.52861%0.605SS.*Hα-helixtrans-68.2-40.8177.2-107.6-89.5000112.7R153 H154 F155 I159 L160 S161R153-H157 PolarHBondContact O-N 3.48Å; H154-H157 PolarHBondContact O-N 3.44Å; F155-H157 VanDerWaalsContact C-N 3.31Å; F155-H157 PolarHBondContact O-N 3.29Å; H157-I159 VanDerWaalsContact C-N 3.34Å; H157-L160 PolarHBondContact O-N 3.04Å; H157-S161 WeakPolarHBondContact O-CB 3.48Å; H157-S161 PolarHBondContact O-N 3.32Å
158I71.5Confident65.2Low100 Ų100122.3 Ų122.351%0.51362%0.623SS.*Hα-helixtrans-62.6-43.1176.2-77165000110.7H154 F155 S161 C162H154-I158 PolarHBondContact O-N 3.35Å; H154-I158 VanDerWaalsContact O-N 3.12Å; F155-I158 PolarHBondContact O-N 2.91Å; I158-S161 PolarHBondContact O-N 3.5Å; I158-C162 WeakPolarHBondContact O-CB 3.14Å; I158-C162 PolarHBondContact O-N 3.41Å
159I68Low65.7Low57 Ų57125.1 Ų125.129%0.29262%0.62SS.*Hα-helixtrans-67.1-44.1178.7-67.3162.7000111.2A134 F155 H157 S161 C162 A163A134-I159 HydrophobicContact CB-CD1 4.37Å; F155-I159 HydrophobicContact CD1-CD1 4.11Å; F155-I159 WeakPolarHBondContact O-CG1 3.47Å; F155-I159 PolarHBondContact O-N 3.23Å; H157-I159 VanDerWaalsContact C-N 3.34Å; I159-S161 VanDerWaalsContact C-N 3.26Å; I159-S161 PolarHBondContact O-N 3.36Å; I159-C162 PolarHBondContact O-N 3.23Å; I159-A163 WeakPolarHBondContact O-CB 3.39Å; I159-A163 PolarHBondContact O-N 3.48Å
160L69.9Low66.4Low121 Ų121124.2 Ų124.263%0.63462%0.617SS**Hα-helixtrans-61.8-38.9175.2-167.773.4000111.1R156 H157 A163 Y164R156-L160 WeakPolarHBondContact O-CB 3.49Å; R156-L160 PolarHBondContact O-N 3.33Å; H157-L160 PolarHBondContact O-N 3.04Å; L160-A163 PolarHBondContact O-N 3.41Å; L160-Y164 WeakPolarHBondContact O-CB 3.4Å; L160-Y164 PolarHBondContact O-N 2.87Å
161S74.1Confident66.8Low59 Ų59126.1 Ų126.141%0.41361%0.611SS.*Hα-helixtrans-65.6-46.3175.8-163.30000111.1H157 I158 I159 A163 Y164 Y165H157-S161 WeakPolarHBondContact O-CB 3.48Å; H157-S161 PolarHBondContact O-N 3.32Å; I158-S161 PolarHBondContact O-N 3.5Å; I159-S161 VanDerWaalsContact C-N 3.26Å; I159-S161 PolarHBondContact O-N 3.36Å; S161-A163 VanDerWaalsContact C-N 3.34Å; S161-A163 PolarHBondContact O-N 2.97Å; S161-Y164 PolarHBondContact O-N 3.16Å; S161-Y165 WeakPolarHBondContact O-CB 3.43Å; S161-Y165 VanDerWaalsContact O-CD2 3.29Å; S161-Y165 WeakPolarHBondContact O-CD2 3.31Å; S161-Y165 PolarHBondContact O-N 3.08Å
162C68.9Low67.5Low79 Ų79123.8 Ų123.853%0.53460%0.602SS.*Hα-helixtrans-60.2-40.8174.1-80.20000112.7I158 I159 Y165 L166I158-C162 WeakPolarHBondContact O-CB 3.14Å; I158-C162 PolarHBondContact O-N 3.41Å; I159-C162 PolarHBondContact O-N 3.23Å; C162-Y165 PolarHBondContact O-N 3.47Å; C162-L166 WeakPolarHBondContact O-CB 3.23Å; C162-L166 PolarHBondContact O-N 2.91Å
163A66.1Low68.1Low54 Ų54125.1 Ų125.145%0.44661%0.611SS.*Hα-helixtrans-65.3-40.4175.800000111.8I159 L160 S161 L166 Q167I159-A163 WeakPolarHBondContact O-CB 3.39Å; I159-A163 PolarHBondContact O-N 3.48Å; L160-A163 PolarHBondContact O-N 3.41Å; S161-A163 VanDerWaalsContact C-N 3.34Å; S161-A163 PolarHBondContact O-N 2.97Å; A163-L166 PolarHBondContact O-N 2.88Å; A163-Q167 PolarHBondContact O-N 3.31Å; A163-Q167 VanDerWaalsContact O-N 3.13Å
164Y75.8Confident69Low182 Ų182121.5 Ų121.571%0.71461%0.607SS**Hα-helixtrans-65.6-39.4174.8-160.6-87.2000111.9L160 S161 L166 Q167 S168L160-Y164 WeakPolarHBondContact O-CB 3.4Å; L160-Y164 PolarHBondContact O-N 2.87Å; S161-Y164 PolarHBondContact O-N 3.16Å; Y164-L166 VanDerWaalsContact C-N 3.34Å; Y164-Q167 PolarHBondContact O-N 3.16Å; Y164-S168 PolarHBondContact O-N 3.46Å; Y164-S168 VanDerWaalsContact O-N 3.17Å
165Y74.5Confident69.5Low181 Ų181119.8 Ų119.871%0.7160%0.602SS**Hα-helixtrans-66.7-32.2174.5-94.7-79000113.2S161 C162S161-Y165 WeakPolarHBondContact O-CB 3.43Å; S161-Y165 VanDerWaalsContact O-CD2 3.29Å; S161-Y165 WeakPolarHBondContact O-CD2 3.31Å; S161-Y165 PolarHBondContact O-N 3.08Å; C162-Y165 PolarHBondContact O-N 3.47Å
166L71.6Confident69.7Low135 Ų135119.7 Ų119.771%0.70761%0.607SS**Hα-helixtrans-79-23.8178.6-167.167.5000112.4C162 A163 Y164C162-L166 WeakPolarHBondContact O-CB 3.23Å; C162-L166 PolarHBondContact O-N 2.91Å; A163-L166 PolarHBondContact O-N 2.88Å; Y164-L166 VanDerWaalsContact C-N 3.34Å
167Q70.6Confident70.3Confident180 Ų180117 Ų11784%0.84161%0.61SS**Hα-helixtrans-89.2-15.4177.5-170.6137.8-3800113.6A163 Y164A163-Q167 PolarHBondContact O-N 3.31Å; A163-Q167 VanDerWaalsContact O-N 3.13Å; Y164-Q167 PolarHBondContact O-N 3.16Å
168S64.3Low70.5Confident142 Ų142117.3 Ų117.399%0.99362%0.618SS**  trans-93.70175.3-1710000112.4Y164Y164-S168 PolarHBondContact O-N 3.46Å; Y164-S168 VanDerWaalsContact O-N 3.17Å

Retrieved 168 of 168 residues in 36.4 ms (Link to these results)