A0A077ZIE2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIE2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 179 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
1M39.8Very low57.9Low239 Ų239100.5 Ų100.5100%1.17754%0.538SS*.  041.10-68.6170.271.600112.1
2S45.2Very low59.7Low101 Ų101107.8 Ų107.871%0.70655%0.552SS**  trans-121.5-2.6-175.7440000114.8
3R44Very low61.1Low205 Ų205106.6 Ų106.677%0.77454%0.537SS*.Hα-helixtrans-73-39.4-175.5-76.8-175.7175.5175.2-2.8113.7G5 S6 E7R3-G5 VanDerWaalsContact C-N 3.34Å; R3-G5 PolarHBondContact O-N 3.22Å; R3-S6 PolarHBondContact O-N 3.2Å; R3-E7 PolarHBondContact O-N 2.87Å; R3-E7 VanDerWaalsContact O-N 3.11Å
4T54.1Low62.5Low106 Ų10699.2 Ų99.265%0.6550%0.499SS*.Hα-helixtrans-65-34.3-176.553.20000113.5S8T4-S8 PolarHBondContact O-N 3.11Å; T4-S8 VanDerWaalsContact O-N 3.16Å
5G52.4Low63.9Low43 Ų43100.7 Ų100.744%0.44350%0.501SS..Hα-helixtrans-66.8-41.7176.600000112.7R3 S8 H9R3-G5 VanDerWaalsContact C-N 3.34Å; R3-G5 PolarHBondContact O-N 3.22Å; G5-S8 PolarHBondContact O-OG 2.86Å; G5-H9 PolarHBondContact O-N 3.3Å
6S58.4Low65.2Low60 Ų6097.4 Ų97.442%0.4249%0.489SS..Hα-helixtrans-67.7-46179-1760000111.8R3 S8 H9 Q10R3-S6 PolarHBondContact O-N 3.2Å; S6-S8 PolarHBondContact O-N 2.98Å; S6-H9 PolarHBondContact O-N 2.9Å; S6-Q10 WeakPolarHBondContact O-CB 3.29Å; S6-Q10 VanDerWaalsContact O-CG 3.24Å; S6-Q10 WeakPolarHBondContact O-CG 3.26Å; S6-Q10 PolarHBondContact O-N 3.04Å; S6-Q10 PolarHBondContact O-OE1 3.44Å; S6-Q10 PolarHBondContact OG-NE2 3.33Å
7E59.8Low66.4Low73 Ų7391.6 Ų91.634%0.34146%0.461SS..Hα-helixtrans-59.2-46.6178.5-73.6168.8179.700110.8R3 H9 Q10 E11R3-E7 PolarHBondContact O-N 2.87Å; R3-E7 VanDerWaalsContact O-N 3.11Å; E7-H9 VanDerWaalsContact C-N 3.29Å; E7-H9 PolarHBondContact O-N 3.5Å; E7-Q10 PolarHBondContact O-N 3.39Å; E7-Q10 VanDerWaalsContact O-N 3.11Å; E7-E11 WeakPolarHBondContact O-CB 3.02Å; E7-E11 WeakPolarHBondContact O-CG 3.47Å; E7-E11 PolarHBondContact O-N 3.26Å
8S68.1Low67.4Low47 Ų4788.9 Ų88.933%0.32944%0.444SS..Hα-helixtrans-61.2-35.5179.275.40000113.6T4 G5 S6 R12T4-S8 PolarHBondContact O-N 3.11Å; T4-S8 VanDerWaalsContact O-N 3.16Å; G5-S8 PolarHBondContact O-OG 2.86Å; S6-S8 PolarHBondContact O-N 2.98Å; S8-R12 VanDerWaalsContact O-CG 3.26Å; S8-R12 WeakPolarHBondContact O-CG 3.46Å; S8-R12 PolarHBondContact O-N 3.4Å
9H71.5Confident68.5Low90 Ų9089.4 Ų89.442%0.41745%0.445SS..Hα-helixtrans-76.3-33.4178.3174.8-103.2000111.6G5 S6 E7 R13G5-H9 PolarHBondContact O-N 3.3Å; S6-H9 PolarHBondContact O-N 2.9Å; E7-H9 VanDerWaalsContact C-N 3.29Å; E7-H9 PolarHBondContact O-N 3.5Å; H9-R13 PolarHBondContact CE1-NE 3.34Å; H9-R13 VanDerWaalsContact CE1-NE 3.31Å; H9-R13 PolarHBondContact CE1-NH2 3.32Å; H9-R13 PolarHBondContact NE2-NH2 3.25Å; H9-R13 WeakPolarHBondContact O-CG 3.36Å; H9-R13 PolarHBondContact O-N 3.5Å
10Q69.7Low69.5Low47 Ų4787.4 Ų87.422%0.2243%0.433CS..Hα-helixtrans-69.6-44.9174-71.3165.2-23.400111.3S6 E7 R12 R13 L14 L80S6-Q10 WeakPolarHBondContact O-CB 3.29Å; S6-Q10 VanDerWaalsContact O-CG 3.24Å; S6-Q10 WeakPolarHBondContact O-CG 3.26Å; S6-Q10 PolarHBondContact O-N 3.04Å; S6-Q10 PolarHBondContact O-OE1 3.44Å; S6-Q10 PolarHBondContact OG-NE2 3.33Å; E7-Q10 PolarHBondContact O-N 3.39Å; E7-Q10 VanDerWaalsContact O-N 3.11Å; Q10-R12 VanDerWaalsContact C-N 3.31Å; Q10-R12 PolarHBondContact O-N 3.39Å; Q10-R13 WeakPolarHBondContact O-CA 3.24Å; Q10-R13 WeakPolarHBondContact O-CB 3.04Å; Q10-R13 PolarHBondContact O-N 3.26Å; Q10-L14 PolarHBondContact O-N 2.91Å; Q10-L14 VanDerWaalsContact O-N 3.12Å; Q10-L80 HydrophobicContact CB-CD1 4.03Å
11E74.2Confident70.3Confident94 Ų9483.3 Ų83.344%0.43941%0.413SS..Hα-helixtrans-53.8-46.8174-79.8175.1-176.400111.9E7 R13 L14 K15 L80E7-E11 WeakPolarHBondContact O-CB 3.02Å; E7-E11 WeakPolarHBondContact O-CG 3.47Å; E7-E11 PolarHBondContact O-N 3.26Å; E11-R13 PolarHBondContact O-N 3.37Å; E11-L14 PolarHBondContact O-N 3.43Å; E11-L14 VanDerWaalsContact O-N 3.08Å; E11-K15 PolarHBondContact O-N 3.24Å; E11-L80 HydrophobicContact CG-CD1 4.07Å; E11-L80 HydrophobicContact CG-CD2 3.53Å; E11-L80 HydrophobicContact CG-CG 4.38Å
12R78.9Confident72.6Confident188 Ų18878 Ų7871%0.70939%0.39SS*.Hα-helixtrans-58.6-30.9176.6-74.1173.2-173.4-170.83113S8 Q10S8-R12 VanDerWaalsContact O-CG 3.26Å; S8-R12 WeakPolarHBondContact O-CG 3.46Å; S8-R12 PolarHBondContact O-N 3.4Å; Q10-R12 VanDerWaalsContact C-N 3.31Å; Q10-R12 PolarHBondContact O-N 3.39Å
13R77.8Confident74.7Confident93 Ų9376.5 Ų76.535%0.35138%0.379SS..Hα-helixtrans-78.5-30.7178.1-70.7174.6168.5-179.1-4112.6H9 Q10 E11 P16 L36H9-R13 PolarHBondContact CE1-NE 3.34Å; H9-R13 VanDerWaalsContact CE1-NE 3.31Å; H9-R13 PolarHBondContact CE1-NH2 3.32Å; H9-R13 PolarHBondContact NE2-NH2 3.25Å; H9-R13 WeakPolarHBondContact O-CG 3.36Å; H9-R13 PolarHBondContact O-N 3.5Å; Q10-R13 WeakPolarHBondContact O-CA 3.24Å; Q10-R13 WeakPolarHBondContact O-CB 3.04Å; Q10-R13 PolarHBondContact O-N 3.26Å; E11-R13 PolarHBondContact O-N 3.37Å; R13-P16 WeakPolarHBondContact O-CD 3.35Å; R13-L36 VanDerWaalsContact O-CD1 3.25Å; R13-L36 WeakPolarHBondContact O-CD1 3.44Å
14L81.7Confident76.8Confident3 Ų368.5 Ų68.52%0.01636%0.36CS..Hα-helixtrans-83.1-23.3177.3-57.7-176.4000112.5Q10 E11 P16 I17 Y18 L36 F43 A46 K47 L50 L80Q10-L14 PolarHBondContact O-N 2.91Å; Q10-L14 VanDerWaalsContact O-N 3.12Å; E11-L14 PolarHBondContact O-N 3.43Å; E11-L14 VanDerWaalsContact O-N 3.08Å; L14-P16 VanDerWaalsContact C-CD 3.43Å; L14-P16 VanDerWaalsContact C-N 3.34Å; L14-I17 HydrophobicContact CD2-CD1 4.44Å; L14-I17 WeakPolarHBondContact O-CA 3.41Å; L14-I17 WeakPolarHBondContact O-CB 3.44Å; L14-I17 PolarHBondContact O-N 2.8Å; L14-Y18 HydrophobicContact CB-CD2 4.09Å; L14-Y18 HydrophobicContact CB-CE2 3.84Å; L14-Y18 WeakPolarHBondContact O-CD2 3.43Å; L14-Y18 PolarHBondContact O-N 3Å; L14-L36 HydrophobicContact CD2-CD1 4.47Å; L14-F43 HydrophobicContact CD1-CE1 4.05Å; L14-A46 HydrophobicContact CD1-CB 4.5Å; L14-K47 HydrophobicContact CD2-CG 4.26Å; L14-L50 HydrophobicContact CB-CD1 4.13Å; L14-L50 HydrophobicContact CD1-CD1 4.07Å; L14-L50 HydrophobicContact CD2-CD1 3.77Å; L14-L50 HydrophobicContact CG-CD1 4.19Å; L14-L80 HydrophobicContact CD1-CB 4.3Å; L14-L80 HydrophobicContact CD1-CD1 4.09Å
15K83.3Confident78.5Confident121 Ų12167 Ų6753%0.52635%0.348SS..Hα-helixtrans-46.6-46.2-179.3-164.2-171.5-176.5-148.50114.2E11 I17 Y18 E19E11-K15 PolarHBondContact O-N 3.24Å; K15-I17 VanDerWaalsContact C-N 3.27Å; K15-I17 PolarHBondContact O-N 2.95Å; K15-Y18 PolarHBondContact O-N 3.15Å; K15-E19 WeakPolarHBondContact CD-OE1 3.49Å; K15-E19 WeakPolarHBondContact CE-OE1 3.36Å; K15-E19 HydrophobicContact CG-CG 4.36Å; K15-E19 IonicContact NZ-OE1 3.35Å; K15-E19 PolarHBondContact NZ-OE1 3.03Å; K15-E19 VanDerWaalsContact NZ-OE1 3.11Å; K15-E19 WeakPolarHBondContact O-CG 3.37Å; K15-E19 PolarHBondContact O-N 3.49Å
16P84.9Confident80.3Confident48 Ų4867.2 Ų67.231%0.31234%0.337SS..Hα-helixtrans-62.6-33.2178.6-22.435000113.2R13 L14 E19 F20R13-P16 WeakPolarHBondContact O-CD 3.35Å; L14-P16 VanDerWaalsContact C-CD 3.43Å; L14-P16 VanDerWaalsContact C-N 3.34Å; P16-E19 PolarHBondContact O-N 3.25Å; P16-F20 WeakPolarHBondContact O-CD2 3.45Å; P16-F20 WeakPolarHBondContact O-CG 3.29Å; P16-F20 PolarHBondContact O-N 3.31Å
17I85.1Confident81.7Confident0 Ų073.8 Ų73.80%035%0.353CS..Hα-helixtrans-68.2-46.5177.5-61.1167.4000109.5L14 K15 E19 F20 L21 A29 E32 S33 L36 L50L14-I17 HydrophobicContact CD2-CD1 4.44Å; L14-I17 WeakPolarHBondContact O-CA 3.41Å; L14-I17 WeakPolarHBondContact O-CB 3.44Å; L14-I17 PolarHBondContact O-N 2.8Å; K15-I17 VanDerWaalsContact C-N 3.27Å; K15-I17 PolarHBondContact O-N 2.95Å; I17-E19 PolarHBondContact O-N 3.24Å; I17-F20 PolarHBondContact O-N 3.18Å; I17-L21 HydrophobicContact CG2-CD1 3.96Å; I17-L21 HydrophobicContact CG2-CG 4.36Å; I17-L21 VanDerWaalsContact O-CG 3.27Å; I17-L21 WeakPolarHBondContact O-CG 3.47Å; I17-L21 PolarHBondContact O-N 3.11Å; I17-A29 HydrophobicContact CG2-CB 4.26Å; I17-E32 HydrophobicContact CG1-CB 3.95Å; I17-S33 WeakPolarHBondContact CG2-OG 3.25Å; I17-L36 HydrophobicContact CD1-CD1 3.66Å; I17-L36 HydrophobicContact CG1-CD1 4.46Å; I17-L50 HydrophobicContact CB-CD1 4.4Å; I17-L50 HydrophobicContact CD1-CD1 4.14Å; I17-L50 HydrophobicContact CG2-CB 4.06Å; I17-L50 HydrophobicContact CG2-CD1 4.22Å; I17-L50 HydrophobicContact CG2-CD2 4.41Å; I17-L50 HydrophobicContact CG2-CG 4.48Å
18Y85.3Confident83.1Confident43 Ų4377 Ų7717%0.16936%0.362CS..Hα-helixtrans-59.6-45.5174.3-72.5-68.6000111.7L14 K15 F20 L21 D22 L50 Y87L14-Y18 HydrophobicContact CB-CD2 4.09Å; L14-Y18 HydrophobicContact CB-CE2 3.84Å; L14-Y18 WeakPolarHBondContact O-CD2 3.43Å; L14-Y18 PolarHBondContact O-N 3Å; K15-Y18 PolarHBondContact O-N 3.15Å; Y18-F20 VanDerWaalsContact C-N 3.31Å; Y18-F20 PolarHBondContact O-N 2.96Å; Y18-L21 WeakPolarHBondContact O-CB 3.38Å; Y18-L21 PolarHBondContact O-N 2.97Å; Y18-L21 VanDerWaalsContact O-N 3.09Å; Y18-D22 WeakPolarHBondContact O-CB 3.46Å; Y18-D22 VanDerWaalsContact O-CG 3.25Å; Y18-D22 PolarHBondContact O-N 3.43Å; Y18-L50 HydrophobicContact CD1-CD2 4.25Å; Y18-L50 HydrophobicContact CE1-CD2 3.63Å; Y18-L50 HydrophobicContact CE2-CD1 4.33Å; Y18-L50 HydrophobicContact CE2-CD2 4.27Å; Y18-Y87 HydrophobicContact CE1-CD2 4.34Å; Y18-Y87 HydrophobicContact CE1-CE2 4.31Å
19E87.5Confident84.1Confident97 Ų9774.8 Ų74.845%0.45335%0.346SS..Hα-helixtrans-57.6-42.5176.3-73.5172.6-179.900111.9K15 P16 I17 S23K15-E19 WeakPolarHBondContact CD-OE1 3.49Å; K15-E19 WeakPolarHBondContact CE-OE1 3.36Å; K15-E19 HydrophobicContact CG-CG 4.36Å; K15-E19 IonicContact NZ-OE1 3.35Å; K15-E19 PolarHBondContact NZ-OE1 3.03Å; K15-E19 VanDerWaalsContact NZ-OE1 3.11Å; K15-E19 WeakPolarHBondContact O-CG 3.37Å; K15-E19 PolarHBondContact O-N 3.49Å; P16-E19 PolarHBondContact O-N 3.25Å; I17-E19 PolarHBondContact O-N 3.24Å; E19-S23 VanDerWaalsContact O-CB 3.24Å; E19-S23 WeakPolarHBondContact O-CB 3.38Å; E19-S23 PolarHBondContact O-N 3.25Å; E19-S23 PolarHBondContact O-OG 3.43Å
20F88.5Confident84.9Confident49 Ų4971.6 Ų71.622%0.21533%0.332CS..Hα-helixtrans-69.8-34.4175.2-73.2-50.2000113.6P16 I17 Y18 S23 G24 N25 R28 A29 E32P16-F20 WeakPolarHBondContact O-CD2 3.45Å; P16-F20 WeakPolarHBondContact O-CG 3.29Å; P16-F20 PolarHBondContact O-N 3.31Å; I17-F20 PolarHBondContact O-N 3.18Å; Y18-F20 VanDerWaalsContact C-N 3.31Å; Y18-F20 PolarHBondContact O-N 2.96Å; F20-S23 PolarHBondContact O-OG 3.12Å; F20-G24 PolarHBondContact O-N 2.83Å; F20-N25 HydrophobicContact CB-CB 4.33Å; F20-N25 HydrophobicContact CD1-CB 3.93Å; F20-N25 CarbonylContact O-C 3.46Å; F20-N25 WeakPolarHBondContact O-CA 3.45Å; F20-N25 PolarHBondContact O-N 3.35Å; F20-R28 HydrophobicContact CB-CB 4.41Å; F20-R28 HydrophobicContact CD1-CB 3.81Å; F20-R28 HydrophobicContact CD2-CB 4.01Å; F20-R28 HydrophobicContact CE1-CB 4.03Å; F20-R28 HydrophobicContact CE1-CG 4.49Å; F20-R28 HydrophobicContact CE2-CB 4.23Å; F20-R28 HydrophobicContact CG-CB 3.82Å; F20-R28 HydrophobicContact CZ-CB 4.24Å; F20-A29 HydrophobicContact CB-CB 3.78Å; F20-E32 HydrophobicContact CD2-CG 4.16Å; F20-E32 HydrophobicContact CE2-CG 3.83Å
21L86.2Confident85.8Confident3 Ų375.3 Ų75.32%0.01635%0.349CS..Hα-helixtrans-67.7-41.3174.9-72.5168.6000111.4I17 Y18 G24 F26 A29 L50 L53 R57I17-L21 HydrophobicContact CG2-CD1 3.96Å; I17-L21 HydrophobicContact CG2-CG 4.36Å; I17-L21 VanDerWaalsContact O-CG 3.27Å; I17-L21 WeakPolarHBondContact O-CG 3.47Å; I17-L21 PolarHBondContact O-N 3.11Å; Y18-L21 WeakPolarHBondContact O-CB 3.38Å; Y18-L21 PolarHBondContact O-N 2.97Å; Y18-L21 VanDerWaalsContact O-N 3.09Å; L21-G24 PolarHBondContact O-N 3.31Å; L21-F26 HydrophobicContact CD2-CD1 4.15Å; L21-F26 WeakPolarHBondContact O-CE1 3.49Å; L21-A29 HydrophobicContact CD2-CB 3.72Å; L21-A29 HydrophobicContact CG-CB 3.74Å; L21-L50 HydrophobicContact CD1-CD2 4.14Å; L21-L53 HydrophobicContact CD1-CB 4.41Å; L21-L53 HydrophobicContact CD1-CD2 3.6Å; L21-L53 HydrophobicContact CD1-CG 3.95Å; L21-L53 HydrophobicContact CD2-CG 4.21Å; L21-R57 PolarHBondContact O-NH2 3.07Å
22D87.3Confident86.4Confident128 Ų12873.2 Ų73.268%0.68434%0.34SS*.Hα-helixtrans-71.8-35.9178.9-68.2-20.5000111.2Y18 G24Y18-D22 WeakPolarHBondContact O-CB 3.46Å; Y18-D22 VanDerWaalsContact O-CG 3.25Å; Y18-D22 PolarHBondContact O-N 3.43Å; D22-G24 PolarHBondContact O-N 2.93Å
23S90.3Very high86.7Confident68 Ų6864.2 Ų64.248%0.47631%0.306SS..THydrogen-bonded Turntrans-76.81.7175.587.50000113.9E19 F20 N25E19-S23 VanDerWaalsContact O-CB 3.24Å; E19-S23 WeakPolarHBondContact O-CB 3.38Å; E19-S23 PolarHBondContact O-N 3.25Å; E19-S23 PolarHBondContact O-OG 3.43Å; F20-S23 PolarHBondContact O-OG 3.12Å; S23-N25 PolarHBondContact O-N 3.08Å; S23-N25 WeakPolarHBondContact OG-CB 3.4Å; S23-N25 PolarHBondContact OG-ND2 3.31Å
24G87.7Confident87.1Confident37 Ų3763.3 Ų63.338%0.38131%0.306SS..THydrogen-bonded Turntrans735.5-175.900000115.5F20 L21 D22 F26F20-G24 PolarHBondContact O-N 2.83Å; L21-G24 PolarHBondContact O-N 3.31Å; D22-G24 PolarHBondContact O-N 2.93Å; G24-F26 PolarHBondContact O-N 3.17Å
25N90.8Very high87.3Confident75 Ų7569.3 Ų69.340%0.40133%0.328SS..  trans-84.557.5-179.5-77.4-50.1000111.5F20 S23 R27 R28 A29F20-N25 HydrophobicContact CB-CB 4.33Å; F20-N25 HydrophobicContact CD1-CB 3.93Å; F20-N25 CarbonylContact O-C 3.46Å; F20-N25 WeakPolarHBondContact O-CA 3.45Å; F20-N25 PolarHBondContact O-N 3.35Å; S23-N25 PolarHBondContact O-N 3.08Å; S23-N25 WeakPolarHBondContact OG-CB 3.4Å; S23-N25 PolarHBondContact OG-ND2 3.31Å; N25-R27 VanDerWaalsContact C-N 3.26Å; N25-R27 PolarHBondContact O-N 3.45Å; N25-R27 VanDerWaalsContact O-N 3.15Å; N25-R28 HydrophobicContact CB-CB 4.32Å; N25-R28 PolarHBondContact O-N 3.42Å; N25-A29 PolarHBondContact O-N 3.33Å
26F90Very high87.2Confident47 Ų4764.6 Ų64.621%0.20631%0.308CS..Hα-helixtrans-60.3-31.5-170.9-47.1-49.7000114.1L21 G24 R28 A29 L30 R57 L58L21-F26 HydrophobicContact CD2-CD1 4.15Å; L21-F26 WeakPolarHBondContact O-CE1 3.49Å; G24-F26 PolarHBondContact O-N 3.17Å; F26-R28 VanDerWaalsContact C-N 3.35Å; F26-R28 PolarHBondContact O-N 2.91Å; F26-A29 PolarHBondContact O-N 2.91Å; F26-L30 WeakPolarHBondContact O-CB 3.27Å; F26-L30 PolarHBondContact O-N 3.49Å; F26-R57 HydrophobicContact CB-CB 4.26Å; F26-R57 HydrophobicContact CD1-CB 3.45Å; F26-R57 VanDerWaalsContact CD1-CB 3.45Å; F26-R57 HydrophobicContact CD1-CG 4.1Å; F26-R57 HydrophobicContact CD2-CB 3.84Å; F26-R57 VanDerWaalsContact CD2-O 3.31Å; F26-R57 WeakPolarHBondContact CD2-O 3.49Å; F26-R57 HydrophobicContact CE1-CB 3.61Å; F26-R57 HydrophobicContact CE1-CG 3.94Å; F26-R57 VanDerWaalsContact CE1-NE 3.34Å; F26-R57 HydrophobicContact CE2-CB 3.98Å; F26-R57 WeakPolarHBondContact CE2-O 2.94Å; F26-R57 HydrophobicContact CG-CB 3.58Å; F26-R57 HydrophobicContact CZ-CB 3.88Å; F26-R57 HydrophobicContact CZ-CG 4.39Å; F26-L58 HydrophobicContact CB-CD1 4.44Å; F26-L58 HydrophobicContact CB-CD2 3.77Å; F26-L58 HydrophobicContact CB-CG 3.73Å
27R88.1Confident87Confident198 Ų19863.8 Ų63.875%0.74730%0.301SS*.Hα-helixtrans-63.7-39.3174.1-67-173.8-174.4172.82.1112.3N25 Q31 L58N25-R27 VanDerWaalsContact C-N 3.26Å; N25-R27 PolarHBondContact O-N 3.45Å; N25-R27 VanDerWaalsContact O-N 3.15Å; R27-Q31 WeakPolarHBondContact O-CG 3.43Å; R27-Q31 PolarHBondContact O-N 3.49Å; R27-Q31 VanDerWaalsContact O-N 3.11Å; R27-L58 HydrophobicContact CG-CD2 3.97Å
28R88.4Confident86.8Confident142 Ų14272.5 Ų72.554%0.53634%0.339SS..Hα-helixtrans-73.1-39176.6-71.2-170.5173.7-178-0.3111.2F20 N25 F26 L30 Q31 E32F20-R28 HydrophobicContact CB-CB 4.41Å; F20-R28 HydrophobicContact CD1-CB 3.81Å; F20-R28 HydrophobicContact CD2-CB 4.01Å; F20-R28 HydrophobicContact CE1-CB 4.03Å; F20-R28 HydrophobicContact CE1-CG 4.49Å; F20-R28 HydrophobicContact CE2-CB 4.23Å; F20-R28 HydrophobicContact CG-CB 3.82Å; F20-R28 HydrophobicContact CZ-CB 4.24Å; N25-R28 HydrophobicContact CB-CB 4.32Å; N25-R28 PolarHBondContact O-N 3.42Å; F26-R28 VanDerWaalsContact C-N 3.35Å; F26-R28 PolarHBondContact O-N 2.91Å; R28-L30 VanDerWaalsContact C-N 3.28Å; R28-L30 PolarHBondContact O-N 2.94Å; R28-Q31 PolarHBondContact O-N 3.37Å; R28-E32 PolarHBondContact O-N 3.11Å
29A88.4Confident86.5Confident0 Ų076.6 Ų76.60%036%0.358CS..Hα-helixtrans-56.4-43.9172.400000111.6I17 F20 L21 N25 F26 S33 S54I17-A29 HydrophobicContact CG2-CB 4.26Å; F20-A29 HydrophobicContact CB-CB 3.78Å; L21-A29 HydrophobicContact CD2-CB 3.72Å; L21-A29 HydrophobicContact CG-CB 3.74Å; N25-A29 PolarHBondContact O-N 3.33Å; F26-A29 PolarHBondContact O-N 2.91Å; A29-S33 WeakPolarHBondContact O-CB 3.35Å; A29-S33 PolarHBondContact O-N 2.91Å; A29-S33 PolarHBondContact O-OG 3.22Å; A29-S54 WeakPolarHBondContact CB-OG 3.21Å
30L88.9Confident85.6Confident23 Ų2374.2 Ų74.212%0.1235%0.347CS..Hα-helixtrans-62.5-48.7176-174.264.9000111.6F26 R28 E32 S33 E34 K51 S54 F55 L58F26-L30 WeakPolarHBondContact O-CB 3.27Å; F26-L30 PolarHBondContact O-N 3.49Å; R28-L30 VanDerWaalsContact C-N 3.28Å; R28-L30 PolarHBondContact O-N 2.94Å; L30-E32 PolarHBondContact O-N 2.91Å; L30-S33 WeakPolarHBondContact O-CB 3.41Å; L30-S33 PolarHBondContact O-N 2.92Å; L30-E34 WeakPolarHBondContact O-CG 3.46Å; L30-E34 PolarHBondContact O-N 2.92Å; L30-K51 HydrophobicContact CD1-CD 4.47Å; L30-K51 HydrophobicContact CD1-CG 3.54Å; L30-S54 PolarHBondContact N-OG 2.83Å; L30-F55 HydrophobicContact CD1-CD1 4.19Å; L30-F55 HydrophobicContact CD1-CD2 4.49Å; L30-F55 HydrophobicContact CD1-CE1 3.94Å; L30-F55 HydrophobicContact CD1-CE2 4.28Å; L30-F55 HydrophobicContact CD1-CG 4.45Å; L30-F55 HydrophobicContact CD1-CZ 4Å; L30-F55 HydrophobicContact CD2-CD1 4.29Å; L30-F55 HydrophobicContact CD2-CE1 3.87Å; L30-L58 HydrophobicContact CD2-CD1 4.05Å
31Q88.9Confident84.7Confident124 Ų12476.2 Ų76.258%0.57936%0.364SS*.Hα-helixtrans-59.8-44.1179-74.6175-6.500112.6R27 R28 E34 R35R27-Q31 WeakPolarHBondContact O-CG 3.43Å; R27-Q31 PolarHBondContact O-N 3.49Å; R27-Q31 VanDerWaalsContact O-N 3.11Å; R28-Q31 PolarHBondContact O-N 3.37Å; Q31-E34 PolarHBondContact O-N 3.34Å; Q31-R35 VanDerWaalsContact O-CB 3.29Å; Q31-R35 WeakPolarHBondContact O-CB 3.47Å; Q31-R35 PolarHBondContact O-N 3.39Å
32E86.2Confident83.6Confident50 Ų5083 Ų8323%0.23440%0.401CS..Hα-helixtrans-68.6-37.1177-75.4-57.9143.500111.9I17 F20 R28 L30 E34 R35 L36I17-E32 HydrophobicContact CG1-CB 3.95Å; F20-E32 HydrophobicContact CD2-CG 4.16Å; F20-E32 HydrophobicContact CE2-CG 3.83Å; R28-E32 PolarHBondContact O-N 3.11Å; L30-E32 PolarHBondContact O-N 2.91Å; E32-E34 PolarHBondContact O-N 2.81Å; E32-R35 PolarHBondContact O-N 3.09Å; E32-R35 IonicContact OE1-NH1 3.56Å; E32-R35 PolarHBondContact OE1-NH1 3.38Å; E32-R35 IonicContact OE2-NH1 3.11Å; E32-L36 WeakPolarHBondContact O-CB 3.24Å; E32-L36 WeakPolarHBondContact O-CG 3.46Å; E32-L36 PolarHBondContact O-N 3.46Å
33S85.1Confident82.7Confident0 Ų078.2 Ų78.20%037%0.374CS..Hα-helixtrans-58.7-48.4172.6-58.50000111.3I17 A29 L30 R35 L36 L37I17-S33 WeakPolarHBondContact CG2-OG 3.25Å; A29-S33 WeakPolarHBondContact O-CB 3.35Å; A29-S33 PolarHBondContact O-N 2.91Å; A29-S33 PolarHBondContact O-OG 3.22Å; L30-S33 WeakPolarHBondContact O-CB 3.41Å; L30-S33 PolarHBondContact O-N 2.92Å; S33-R35 PolarHBondContact O-N 2.73Å; S33-L36 PolarHBondContact O-N 3.1Å; S33-L37 VanDerWaalsContact O-CG 3.29Å; S33-L37 WeakPolarHBondContact O-CG 3.33Å; S33-L37 PolarHBondContact O-N 2.91Å
34E86Confident81.7Confident74 Ų7478.9 Ų78.935%0.34637%0.372SS..Hα-helixtrans-64.6-40177.6-70.4-175.7154.800112.8L30 Q31 E32 L36 L37 K38 K51L30-E34 WeakPolarHBondContact O-CG 3.46Å; L30-E34 PolarHBondContact O-N 2.92Å; Q31-E34 PolarHBondContact O-N 3.34Å; E32-E34 PolarHBondContact O-N 2.81Å; E34-L36 VanDerWaalsContact C-N 3.35Å; E34-L37 PolarHBondContact O-N 3.33Å; E34-K38 WeakPolarHBondContact O-CG 3.34Å; E34-K38 PolarHBondContact O-N 3.16Å; E34-K38 VanDerWaalsContact O-N 3.11Å; E34-K51 HydrophobicContact CG-CD 4.45Å; E34-K51 WeakPolarHBondContact OE1-CE 3.46Å; E34-K51 IonicContact OE1-NZ 3.08Å; E34-K51 PolarHBondContact OE1-NZ 3.11Å
35R85.4Confident81Confident129 Ų12978.6 Ų78.649%0.48736%0.363SS..Hα-helixtrans-62.5-42.6176.2-173.3-175-174.7-165.50.3111.6Q31 E32 S33 K39Q31-R35 VanDerWaalsContact O-CB 3.29Å; Q31-R35 WeakPolarHBondContact O-CB 3.47Å; Q31-R35 PolarHBondContact O-N 3.39Å; E32-R35 PolarHBondContact O-N 3.09Å; E32-R35 IonicContact OE1-NH1 3.56Å; E32-R35 PolarHBondContact OE1-NH1 3.38Å; E32-R35 IonicContact OE2-NH1 3.11Å; S33-R35 PolarHBondContact O-N 2.73Å; R35-K39 WeakPolarHBondContact O-CG 3.37Å; R35-K39 PolarHBondContact O-N 3.42Å
36L81.6Confident80Confident22 Ų2275 Ų7512%0.11534%0.343CS..Hα-helixtrans-71.7-33.9177.9-71.6-173.1000112.6R13 L14 I17 E32 S33 E34 K39 Q40 K47R13-L36 VanDerWaalsContact O-CD1 3.25Å; R13-L36 WeakPolarHBondContact O-CD1 3.44Å; L14-L36 HydrophobicContact CD2-CD1 4.47Å; I17-L36 HydrophobicContact CD1-CD1 3.66Å; I17-L36 HydrophobicContact CG1-CD1 4.46Å; E32-L36 WeakPolarHBondContact O-CB 3.24Å; E32-L36 WeakPolarHBondContact O-CG 3.46Å; E32-L36 PolarHBondContact O-N 3.46Å; S33-L36 PolarHBondContact O-N 3.1Å; E34-L36 VanDerWaalsContact C-N 3.35Å; L36-K39 PolarHBondContact O-N 2.94Å; L36-Q40 PolarHBondContact O-N 3.32Å; L36-K47 HydrophobicContact CB-CD 4.02Å; L36-K47 PolarHBondContact O-NZ 3.08Å
37L81.9Confident79.3Confident31 Ų3172.9 Ų72.916%0.16233%0.334CS..Hα-helixtrans-60.1-45.5173.3-77.6166.2000110.9S33 E34 K39 L44 K47 V48 K51S33-L37 VanDerWaalsContact O-CG 3.29Å; S33-L37 WeakPolarHBondContact O-CG 3.33Å; S33-L37 PolarHBondContact O-N 2.91Å; E34-L37 PolarHBondContact O-N 3.33Å; L37-K39 PolarHBondContact O-N 3.24Å; L37-L44 HydrophobicContact CD2-CD1 3.76Å; L37-K47 HydrophobicContact CD2-CB 3.38Å; L37-K47 HydrophobicContact CD2-CD 4.06Å; L37-K47 HydrophobicContact CD2-CG 4.41Å; L37-K47 HydrophobicContact CG-CB 3.76Å; L37-K47 HydrophobicContact CG-CD 4.28Å; L37-V48 HydrophobicContact CD2-CG2 3.99Å; L37-K51 HydrophobicContact CD1-CB 4.48Å; L37-K51 HydrophobicContact CD1-CD 4.05Å
38K81Confident78.8Confident183 Ų18364 Ų6480%0.79630%0.302SS*.Hα-helixtrans-63.6-37.2178.8-71.5-180-177.4-178.30113.8E34E34-K38 WeakPolarHBondContact O-CG 3.34Å; E34-K38 PolarHBondContact O-N 3.16Å; E34-K38 VanDerWaalsContact O-N 3.11Å
39K78.4Confident78.2Confident129 Ų12957.2 Ų57.256%0.56128%0.276SS*.Hα-helixtrans-79.7-26.7-173.4-74.8-177.6175.1-1730114R35 L36 L37R35-K39 WeakPolarHBondContact O-CG 3.37Å; R35-K39 PolarHBondContact O-N 3.42Å; L36-K39 PolarHBondContact O-N 2.94Å; L37-K39 PolarHBondContact O-N 3.24Å
40Q68.8Low77.7Confident46 Ų4657.2 Ų57.222%0.21528%0.276CS..  trans-152.295.8-164.9-84.216440.800110L36 D42 K47L36-Q40 PolarHBondContact O-N 3.32Å; Q40-D42 PolarHBondContact O-N 3.31Å; Q40-K47 PolarHBondContact O-NZ 3.35Å
41P68.7Low77.6Confident91 Ų9158.2 Ų58.259%0.59128%0.279SS*.G310 helixtrans-70.8-20.1178.928.1-33000113F43 L44P41-F43 PolarHBondContact O-N 2.89Å; P41-L44 PolarHBondContact O-N 2.81Å
42D63.5Low77.3Confident147 Ų14752.3 Ų52.379%0.78625%0.252SS*.G310 helixtrans-62.7-9.2-172-52.9-17.1000115.1Q40Q40-D42 PolarHBondContact O-N 3.31Å
43F67.7Low77.3Confident27 Ų2750.2 Ų50.212%0.11824%0.242CC..G310 helixtrans-135.844.5176.5-152.9-121.4000112L14 P41 V45 A46 K47 D78 L80L14-F43 HydrophobicContact CD1-CE1 4.05Å; P41-F43 PolarHBondContact O-N 2.89Å; F43-V45 PolarHBondContact O-N 3.46Å; F43-A46 HydrophobicContact CD1-CB 3.69Å; F43-A46 HydrophobicContact CE1-CB 3Å; F43-A46 HydrophobicContact CZ-CB 3.47Å; F43-A46 VanDerWaalsContact CZ-CB 3.47Å; F43-K47 WeakPolarHBondContact O-CB 3.47Å; F43-K47 WeakPolarHBondContact O-CD 3.49Å; F43-K47 VanDerWaalsContact O-CG 3.28Å; F43-K47 WeakPolarHBondContact O-CG 3.49Å; F43-K47 PolarHBondContact O-N 3.43Å; F43-D78 HydrophobicContact CE2-CB 4.49Å; F43-D78 WeakPolarHBondContact CE2-OD1 3.31Å; F43-D78 WeakPolarHBondContact CE2-OD2 3.2Å; F43-D78 WeakPolarHBondContact CZ-OD1 3.41Å; F43-D78 WeakPolarHBondContact CZ-OD2 3.15Å; F43-L80 HydrophobicContact CE1-CB 4.07Å; F43-L80 HydrophobicContact CE1-CD1 4.19Å; F43-L80 HydrophobicContact CZ-CB 3.89Å; F43-L80 HydrophobicContact CZ-CD1 4.25Å
44L71.1Confident77.4Confident81 Ų8150.2 Ų50.242%0.42424%0.242SC..Hα-helixtrans-51.6-41.7179.6-16372.1000110.5L37 P41 K47 V48L37-L44 HydrophobicContact CD2-CD1 3.76Å; P41-L44 PolarHBondContact O-N 2.81Å; L44-K47 PolarHBondContact O-N 2.85Å; L44-V48 HydrophobicContact CD1-CG2 4.45Å; L44-V48 HydrophobicContact CG-CG2 4.1Å; L44-V48 VanDerWaalsContact O-CB 3.3Å; L44-V48 WeakPolarHBondContact O-CB 3.31Å; L44-V48 WeakPolarHBondContact O-CG2 3.39Å; L44-V48 PolarHBondContact O-N 2.91Å
45V71.4Confident77.6Confident31 Ų3147.2 Ų47.219%0.18823%0.228CC..Hα-helixtrans-66.4-56.2-166.6-1650000113.4F43 K47 V48 A49 V71 T81F43-V45 PolarHBondContact O-N 3.46Å; V45-K47 VanDerWaalsContact C-N 3.32Å; V45-K47 PolarHBondContact O-N 2.95Å; V45-V48 PolarHBondContact O-N 2.75Å; V45-A49 PolarHBondContact O-N 3.42Å; V45-V71 HydrophobicContact CG1-CB 3.92Å; V45-V71 HydrophobicContact CG1-CG1 3.29Å; V45-V71 HydrophobicContact CG1-CG2 3.95Å; V45-V71 WeakPolarHBondContact O-CG2 3.48Å; V45-T81 HydrophobicContact CB-CG2 4.23Å; V45-T81 HydrophobicContact CG1-CG2 3.44Å; V45-T81 VanDerWaalsContact CG1-CG2 3.44Å
46A70.7Confident77.7Confident0 Ų041.8 Ų41.80%021%0.209CC..Hα-helixtrans-71.2-29.5178.500000112.9L14 F43 V48 A49 L50 T81L14-A46 HydrophobicContact CD1-CB 4.5Å; F43-A46 HydrophobicContact CD1-CB 3.69Å; F43-A46 HydrophobicContact CE1-CB 3Å; F43-A46 HydrophobicContact CZ-CB 3.47Å; F43-A46 VanDerWaalsContact CZ-CB 3.47Å; A46-V48 VanDerWaalsContact C-N 3.32Å; A46-A49 PolarHBondContact O-N 3.41Å; A46-L50 WeakPolarHBondContact O-CG 3.47Å; A46-L50 PolarHBondContact O-N 3.24Å; A46-T81 WeakPolarHBondContact CB-OG1 3.26Å; A46-T81 PolarHBondContact N-OG1 3.33Å
47K75.4Confident78Confident3 Ų344.4 Ų44.41%0.01322%0.217CC..Hα-helixtrans-67.3-37.8176.4-70176.8-172.8173.60111.2L14 L36 L37 Q40 F43 L44 V45 L50 K51L14-K47 HydrophobicContact CD2-CG 4.26Å; L36-K47 HydrophobicContact CB-CD 4.02Å; L36-K47 PolarHBondContact O-NZ 3.08Å; L37-K47 HydrophobicContact CD2-CB 3.38Å; L37-K47 HydrophobicContact CD2-CD 4.06Å; L37-K47 HydrophobicContact CD2-CG 4.41Å; L37-K47 HydrophobicContact CG-CB 3.76Å; L37-K47 HydrophobicContact CG-CD 4.28Å; Q40-K47 PolarHBondContact O-NZ 3.35Å; F43-K47 WeakPolarHBondContact O-CB 3.47Å; F43-K47 WeakPolarHBondContact O-CD 3.49Å; F43-K47 VanDerWaalsContact O-CG 3.28Å; F43-K47 WeakPolarHBondContact O-CG 3.49Å; F43-K47 PolarHBondContact O-N 3.43Å; L44-K47 PolarHBondContact O-N 2.85Å; V45-K47 VanDerWaalsContact C-N 3.32Å; V45-K47 PolarHBondContact O-N 2.95Å; K47-L50 PolarHBondContact O-N 3.14Å; K47-K51 WeakPolarHBondContact O-CB 3.35Å; K47-K51 PolarHBondContact O-N 2.85Å
48V77.1Confident78.3Confident11 Ų1145.4 Ų45.47%0.06722%0.222CC..Hα-helixtrans-64.5-43.2171.3172.10000109.7L37 L44 V45 A46 L50 K51 S52 L67 V71L37-V48 HydrophobicContact CD2-CG2 3.99Å; L44-V48 HydrophobicContact CD1-CG2 4.45Å; L44-V48 HydrophobicContact CG-CG2 4.1Å; L44-V48 VanDerWaalsContact O-CB 3.3Å; L44-V48 WeakPolarHBondContact O-CB 3.31Å; L44-V48 WeakPolarHBondContact O-CG2 3.39Å; L44-V48 PolarHBondContact O-N 2.91Å; V45-V48 PolarHBondContact O-N 2.75Å; A46-V48 VanDerWaalsContact C-N 3.32Å; V48-L50 VanDerWaalsContact C-N 3.34Å; V48-L50 PolarHBondContact O-N 3.01Å; V48-K51 WeakPolarHBondContact O-CB 3.08Å; V48-K51 PolarHBondContact O-N 3.16Å; V48-S52 PolarHBondContact O-N 3.37Å; V48-S52 PolarHBondContact O-OG 3.4Å; V48-S52 VanDerWaalsContact O-OG 3.12Å; V48-L67 HydrophobicContact CG1-CB 3.64Å; V48-L67 HydrophobicContact CG1-CD2 3.96Å; V48-L67 HydrophobicContact CG1-CG 4.23Å; V48-V71 HydrophobicContact CB-CG2 3.66Å; V48-V71 HydrophobicContact CG1-CG2 3.44Å; V48-V71 VanDerWaalsContact CG1-CG2 3.44Å
49A75.7Confident78.7Confident0 Ų039.7 Ų39.70%022%0.215CC..Hα-helixtrans-60.7-39.317500000112.9V45 A46 S52 L53 V71 A84 L85 C88V45-A49 PolarHBondContact O-N 3.42Å; A46-A49 PolarHBondContact O-N 3.41Å; A49-S52 WeakPolarHBondContact O-CB 3.24Å; A49-S52 PolarHBondContact O-N 2.88Å; A49-L53 PolarHBondContact O-N 3.2Å; A49-V71 HydrophobicContact CB-CG1 4.39Å; A49-A84 HydrophobicContact CB-CB 3.53Å; A49-L85 HydrophobicContact CB-CD2 4.43Å; A49-C88 PolarHBondContact O-SG 3.42Å
50L78.9Confident79.2Confident0 Ų039.4 Ų39.40%021%0.21CC..Hα-helixtrans-72.5-33.2175.9-71.1173.1000113.3L14 I17 Y18 L21 A46 K47 V48 L53 S54 A84L14-L50 HydrophobicContact CB-CD1 4.13Å; L14-L50 HydrophobicContact CD1-CD1 4.07Å; L14-L50 HydrophobicContact CD2-CD1 3.77Å; L14-L50 HydrophobicContact CG-CD1 4.19Å; I17-L50 HydrophobicContact CB-CD1 4.4Å; I17-L50 HydrophobicContact CD1-CD1 4.14Å; I17-L50 HydrophobicContact CG2-CB 4.06Å; I17-L50 HydrophobicContact CG2-CD1 4.22Å; I17-L50 HydrophobicContact CG2-CD2 4.41Å; I17-L50 HydrophobicContact CG2-CG 4.48Å; Y18-L50 HydrophobicContact CD1-CD2 4.25Å; Y18-L50 HydrophobicContact CE1-CD2 3.63Å; Y18-L50 HydrophobicContact CE2-CD1 4.33Å; Y18-L50 HydrophobicContact CE2-CD2 4.27Å; L21-L50 HydrophobicContact CD1-CD2 4.14Å; A46-L50 WeakPolarHBondContact O-CG 3.47Å; A46-L50 PolarHBondContact O-N 3.24Å; K47-L50 PolarHBondContact O-N 3.14Å; V48-L50 VanDerWaalsContact C-N 3.34Å; V48-L50 PolarHBondContact O-N 3.01Å; L50-L53 HydrophobicContact CD2-CD2 4.35Å; L50-L53 PolarHBondContact O-N 3.37Å; L50-S54 PolarHBondContact O-N 3.49Å; L50-S54 PolarHBondContact O-OG 3.43Å; L50-A84 HydrophobicContact CD2-CB 4.18Å; L50-A84 HydrophobicContact CG-CB 4.23Å
51K86.4Confident80.2Confident43 Ų4340.1 Ų40.119%0.18722%0.218CC..Hα-helixtrans-60.7-47.9168.7-166.9-170.3-177.8-176.80110L30 E34 L37 K47 V48 L53 S54 F55 L67L30-K51 HydrophobicContact CD1-CD 4.47Å; L30-K51 HydrophobicContact CD1-CG 3.54Å; E34-K51 HydrophobicContact CG-CD 4.45Å; E34-K51 WeakPolarHBondContact OE1-CE 3.46Å; E34-K51 IonicContact OE1-NZ 3.08Å; E34-K51 PolarHBondContact OE1-NZ 3.11Å; L37-K51 HydrophobicContact CD1-CB 4.48Å; L37-K51 HydrophobicContact CD1-CD 4.05Å; K47-K51 WeakPolarHBondContact O-CB 3.35Å; K47-K51 PolarHBondContact O-N 2.85Å; V48-K51 WeakPolarHBondContact O-CB 3.08Å; V48-K51 PolarHBondContact O-N 3.16Å; K51-L53 VanDerWaalsContact C-N 3.32Å; K51-L53 PolarHBondContact O-N 2.78Å; K51-S54 WeakPolarHBondContact O-CB 3.26Å; K51-S54 PolarHBondContact O-N 3.21Å; K51-S54 VanDerWaalsContact O-N 3.14Å; K51-F55 HydrophobicContact CD-CE2 3.91Å; K51-F55 VanDerWaalsContact CE-CE2 3.45Å; K51-F55 HydrophobicContact CG-CD2 4.21Å; K51-F55 HydrophobicContact CG-CE2 3.85Å; K51-F55 WeakPolarHBondContact O-CD2 3.3Å; K51-F55 PolarHBondContact O-N 3.32Å; K51-L67 HydrophobicContact CD-CD1 4.1Å
52S82.8Confident81.1Confident0 Ų044.4 Ų44.40%023%0.23CC..Hα-helixtrans-59.1-41.7174.8-640000112V48 A49 S54 F55 I56 A64 L67V48-S52 PolarHBondContact O-N 3.37Å; V48-S52 PolarHBondContact O-OG 3.4Å; V48-S52 VanDerWaalsContact O-OG 3.12Å; A49-S52 WeakPolarHBondContact O-CB 3.24Å; A49-S52 PolarHBondContact O-N 2.88Å; S52-S54 VanDerWaalsContact C-N 3.31Å; S52-S54 PolarHBondContact O-N 3.11Å; S52-F55 WeakPolarHBondContact O-CB 3.39Å; S52-F55 PolarHBondContact O-N 2.93Å; S52-F55 VanDerWaalsContact O-N 3.16Å; S52-I56 WeakPolarHBondContact O-CD1 3.48Å; S52-I56 VanDerWaalsContact O-CG1 3.26Å; S52-I56 WeakPolarHBondContact O-CG1 3.38Å; S52-I56 PolarHBondContact O-N 3.09Å; S52-A64 PolarHBondContact OG-O 3.31Å; S52-L67 WeakPolarHBondContact OG-CB 3.43Å
53L85.3Confident82.3Confident7 Ų741.3 Ų41.34%0.03721%0.211CC..Hα-helixtrans-60.9-42.1175.2-171.551.1000111.7L21 A49 L50 K51 F55 I56 R57 Y87 C88 E91L21-L53 HydrophobicContact CD1-CB 4.41Å; L21-L53 HydrophobicContact CD1-CD2 3.6Å; L21-L53 HydrophobicContact CD1-CG 3.95Å; L21-L53 HydrophobicContact CD2-CG 4.21Å; A49-L53 PolarHBondContact O-N 3.2Å; L50-L53 HydrophobicContact CD2-CD2 4.35Å; L50-L53 PolarHBondContact O-N 3.37Å; K51-L53 VanDerWaalsContact C-N 3.32Å; K51-L53 PolarHBondContact O-N 2.78Å; L53-F55 VanDerWaalsContact C-N 3.34Å; L53-F55 PolarHBondContact O-N 3.38Å; L53-I56 PolarHBondContact O-N 2.93Å; L53-R57 HydrophobicContact CD1-CG 4.35Å; L53-R57 WeakPolarHBondContact O-CB 3.21Å; L53-R57 WeakPolarHBondContact O-CG 3.46Å; L53-R57 PolarHBondContact O-N 2.84Å; L53-Y87 HydrophobicContact CD2-CG 4.48Å; L53-C88 VanDerWaalsContact CB-SG 3.59Å; L53-E91 HydrophobicContact CD1-CG 3.98Å
54S88Confident83.3Confident0 Ų040 Ų400%021%0.205CC..Hα-helixtrans-63-40.5175.2-54.70000111.6A29 L30 L50 K51 S52 L58A29-S54 WeakPolarHBondContact CB-OG 3.21Å; L30-S54 PolarHBondContact N-OG 2.83Å; L50-S54 PolarHBondContact O-N 3.49Å; L50-S54 PolarHBondContact O-OG 3.43Å; K51-S54 WeakPolarHBondContact O-CB 3.26Å; K51-S54 PolarHBondContact O-N 3.21Å; K51-S54 VanDerWaalsContact O-N 3.14Å; S52-S54 VanDerWaalsContact C-N 3.31Å; S52-S54 PolarHBondContact O-N 3.11Å; S54-L58 WeakPolarHBondContact O-CB 3.45Å; S54-L58 WeakPolarHBondContact O-CD1 3.4Å; S54-L58 VanDerWaalsContact O-CG 3.24Å; S54-L58 WeakPolarHBondContact O-CG 3.45Å; S54-L58 PolarHBondContact O-N 3.4Å; S54-L58 VanDerWaalsContact O-N 3.1Å
55F89.3Confident83.9Confident10 Ų1039 Ų394%0.04420%0.2CC..Hα-helixtrans-63.9-46.5174.1-77.6-48.1000112.7L30 K51 S52 L53 R57 L58 G59 R60 E63 A64 L67L30-F55 HydrophobicContact CD1-CD1 4.19Å; L30-F55 HydrophobicContact CD1-CD2 4.49Å; L30-F55 HydrophobicContact CD1-CE1 3.94Å; L30-F55 HydrophobicContact CD1-CE2 4.28Å; L30-F55 HydrophobicContact CD1-CG 4.45Å; L30-F55 HydrophobicContact CD1-CZ 4Å; L30-F55 HydrophobicContact CD2-CD1 4.29Å; L30-F55 HydrophobicContact CD2-CE1 3.87Å; K51-F55 HydrophobicContact CD-CE2 3.91Å; K51-F55 VanDerWaalsContact CE-CE2 3.45Å; K51-F55 HydrophobicContact CG-CD2 4.21Å; K51-F55 HydrophobicContact CG-CE2 3.85Å; K51-F55 WeakPolarHBondContact O-CD2 3.3Å; K51-F55 PolarHBondContact O-N 3.32Å; S52-F55 WeakPolarHBondContact O-CB 3.39Å; S52-F55 PolarHBondContact O-N 2.93Å; S52-F55 VanDerWaalsContact O-N 3.16Å; L53-F55 VanDerWaalsContact C-N 3.34Å; L53-F55 PolarHBondContact O-N 3.38Å; F55-R57 VanDerWaalsContact C-N 3.31Å; F55-R57 PolarHBondContact O-N 2.57Å; F55-L58 CarbonylContact O-C 3.08Å; F55-L58 WeakPolarHBondContact O-CA 3.02Å; F55-L58 PolarHBondContact O-N 3.22Å; F55-L58 VanDerWaalsContact O-N 3.08Å; F55-G59 PolarHBondContact O-N 3.32Å; F55-R60 HydrophobicContact CB-CB 4.21Å; F55-R60 HydrophobicContact CD1-CB 4.12Å; F55-R60 WeakPolarHBondContact O-CA 3.14Å; F55-R60 PolarHBondContact O-N 2.89Å; F55-E63 HydrophobicContact CD1-CB 4.14Å; F55-E63 HydrophobicContact CD2-CB 4.06Å; F55-E63 HydrophobicContact CE1-CB 4.26Å; F55-E63 WeakPolarHBondContact CE1-OE2 3.49Å; F55-E63 HydrophobicContact CE2-CB 4.17Å; F55-E63 HydrophobicContact CG-CB 4.05Å; F55-E63 HydrophobicContact CZ-CB 4.27Å; F55-E63 WeakPolarHBondContact CZ-OE2 3.17Å; F55-A64 HydrophobicContact CB-CB 3.95Å; F55-L67 HydrophobicContact CD2-CD1 4.05Å; F55-L67 HydrophobicContact CE2-CD1 3.79Å
56I87.3Confident84.7Confident16 Ų1641.2 Ų41.28%0.08222%0.215CC..Hα-helixtrans-57.2-46.4177.4-68.2158.2000110.3S52 L53 L58 G59 A64 L68 C88 E91 M92S52-I56 WeakPolarHBondContact O-CD1 3.48Å; S52-I56 VanDerWaalsContact O-CG1 3.26Å; S52-I56 WeakPolarHBondContact O-CG1 3.38Å; S52-I56 PolarHBondContact O-N 3.09Å; L53-I56 PolarHBondContact O-N 2.93Å; I56-L58 PolarHBondContact O-N 3.44Å; I56-G59 WeakPolarHBondContact O-CA 3.38Å; I56-G59 PolarHBondContact O-N 2.97Å; I56-A64 HydrophobicContact CD1-CB 4.17Å; I56-A64 HydrophobicContact CG1-CB 3.67Å; I56-L68 HydrophobicContact CD1-CD1 4.09Å; I56-C88 HydrophobicContact CD1-CB 3.76Å; I56-E91 HydrophobicContact CG2-CB 3.75Å; I56-M92 HydrophobicContact CD1-CG 3.62Å; I56-M92 HydrophobicContact CD1-SD 3.69Å; I56-M92 HydrophobicContact CG1-CG 3.93Å; I56-M92 HydrophobicContact CG1-SD 4.28Å; I56-M92 HydrophobicContact CG2-CG 4.24Å
57R87.8Confident85.5Confident76 Ų7642.9 Ų42.929%0.28722%0.224SC..Hα-helixtrans-70-20.4-179.9-64.3-74.1-96.6-109.7-12.8113.6L21 F26 L53 F55 G59 E91L21-R57 PolarHBondContact O-NH2 3.07Å; F26-R57 HydrophobicContact CB-CB 4.26Å; F26-R57 HydrophobicContact CD1-CB 3.45Å; F26-R57 VanDerWaalsContact CD1-CB 3.45Å; F26-R57 HydrophobicContact CD1-CG 4.1Å; F26-R57 HydrophobicContact CD2-CB 3.84Å; F26-R57 VanDerWaalsContact CD2-O 3.31Å; F26-R57 WeakPolarHBondContact CD2-O 3.49Å; F26-R57 HydrophobicContact CE1-CB 3.61Å; F26-R57 HydrophobicContact CE1-CG 3.94Å; F26-R57 VanDerWaalsContact CE1-NE 3.34Å; F26-R57 HydrophobicContact CE2-CB 3.98Å; F26-R57 WeakPolarHBondContact CE2-O 2.94Å; F26-R57 HydrophobicContact CG-CB 3.58Å; F26-R57 HydrophobicContact CZ-CB 3.88Å; F26-R57 HydrophobicContact CZ-CG 4.39Å; L53-R57 HydrophobicContact CD1-CG 4.35Å; L53-R57 WeakPolarHBondContact O-CB 3.21Å; L53-R57 WeakPolarHBondContact O-CG 3.46Å; L53-R57 PolarHBondContact O-N 2.84Å; F55-R57 VanDerWaalsContact C-N 3.31Å; F55-R57 PolarHBondContact O-N 2.57Å; R57-G59 VanDerWaalsContact C-N 3.31Å; R57-E91 VanDerWaalsContact CD-OE2 3.3Å; R57-E91 WeakPolarHBondContact CD-OE2 3.37Å; R57-E91 IonicContact CZ-OE2 3.2Å; R57-E91 IonicContact NE-OE2 3.39Å; R57-E91 IonicContact NH1-OE1 2.73Å; R57-E91 PolarHBondContact NH1-OE1 3.39Å; R57-E91 VanDerWaalsContact NH1-OE1 3.09Å; R57-E91 IonicContact NH1-OE2 2.68Å; R57-E91 PolarHBondContact NH1-OE2 3.21Å
58L89.5Confident86.1Confident53 Ų5342.8 Ų42.828%0.27722%0.224SC..THydrogen-bonded Turntrans-86.21.5169.4-71.9168.7000113.2F26 R27 L30 S54 F55 I56 R60F26-L58 HydrophobicContact CB-CD1 4.44Å; F26-L58 HydrophobicContact CB-CD2 3.77Å; F26-L58 HydrophobicContact CB-CG 3.73Å; R27-L58 HydrophobicContact CG-CD2 3.97Å; L30-L58 HydrophobicContact CD2-CD1 4.05Å; S54-L58 WeakPolarHBondContact O-CB 3.45Å; S54-L58 WeakPolarHBondContact O-CD1 3.4Å; S54-L58 VanDerWaalsContact O-CG 3.24Å; S54-L58 WeakPolarHBondContact O-CG 3.45Å; S54-L58 PolarHBondContact O-N 3.4Å; S54-L58 VanDerWaalsContact O-N 3.1Å; F55-L58 CarbonylContact O-C 3.08Å; F55-L58 WeakPolarHBondContact O-CA 3.02Å; F55-L58 PolarHBondContact O-N 3.22Å; F55-L58 VanDerWaalsContact O-N 3.08Å; I56-L58 PolarHBondContact O-N 3.44Å; L58-R60 VanDerWaalsContact C-N 3.3Å; L58-R60 HydrophobicContact CB-CG 4.48Å
59G88Confident86.5Confident62 Ų6245.4 Ų45.464%0.63924%0.242SC*.THydrogen-bonded Turntrans78.87.9-176.700000114.6F55 I56 R57 V61F55-G59 PolarHBondContact O-N 3.32Å; I56-G59 WeakPolarHBondContact O-CA 3.38Å; I56-G59 PolarHBondContact O-N 2.97Å; R57-G59 VanDerWaalsContact C-N 3.31Å; G59-V61 VanDerWaalsContact C-N 3.34Å; G59-V61 PolarHBondContact O-N 3.41Å
60R90Very high86.9Confident123 Ų12350.8 Ų50.846%0.46427%0.267SS..  trans-95.357.6-177.2-66158.6171.8-127.88.4111F55 L58 E62 E63 A64F55-R60 HydrophobicContact CB-CB 4.21Å; F55-R60 HydrophobicContact CD1-CB 4.12Å; F55-R60 WeakPolarHBondContact O-CA 3.14Å; F55-R60 PolarHBondContact O-N 2.89Å; L58-R60 VanDerWaalsContact C-N 3.3Å; L58-R60 HydrophobicContact CB-CG 4.48Å; R60-E62 PolarHBondContact O-N 2.87Å; R60-E63 HydrophobicContact CB-CB 4.37Å; R60-E63 HydrophobicContact CB-CG 4.26Å; R60-E63 WeakPolarHBondContact CD-OE1 3.38Å; R60-E63 WeakPolarHBondContact CG-OE1 3.15Å; R60-E63 IonicContact CZ-OE1 3.65Å; R60-E63 IonicContact NE-OE1 3.86Å; R60-E63 IonicContact NH1-OE1 3.65Å; R60-E63 PolarHBondContact NH1-OE1 3.28Å; R60-E63 IonicContact NH1-OE2 3.79Å; R60-E63 PolarHBondContact O-N 3.02Å; R60-A64 PolarHBondContact O-N 3.26Å
61V89.2Confident87.2Confident62 Ų6250.9 Ų50.938%0.37627%0.268SS..Hα-helixtrans-62.9-34.3-175.6-176.30000111.6G59 E63 A64 D65 M92G59-V61 VanDerWaalsContact C-N 3.34Å; G59-V61 PolarHBondContact O-N 3.41Å; V61-E63 VanDerWaalsContact C-N 3.28Å; V61-E63 PolarHBondContact O-N 3.42Å; V61-A64 WeakPolarHBondContact O-CB 3.45Å; V61-A64 PolarHBondContact O-N 3Å; V61-D65 PolarHBondContact O-N 2.83Å; V61-M92 HydrophobicContact CG1-CE 3.75Å; V61-M92 HydrophobicContact CG1-CG 4.41Å
62E88.3Confident87Confident181 Ų18150.7 Ų50.785%0.84627%0.272SS*.Hα-helixtrans-61.4-33.6177.8-61.6177.6-179.100113R60 P66R60-E62 PolarHBondContact O-N 2.87Å; E62-P66 WeakPolarHBondContact O-CD 3.47Å
63E87.6Confident87Confident82 Ų8253.4 Ų53.438%0.38330%0.299SS..Hα-helixtrans-76.7-27.4175.5-61.5-174.4-11500111.7F55 R60 V61F55-E63 HydrophobicContact CD1-CB 4.14Å; F55-E63 HydrophobicContact CD2-CB 4.06Å; F55-E63 HydrophobicContact CE1-CB 4.26Å; F55-E63 WeakPolarHBondContact CE1-OE2 3.49Å; F55-E63 HydrophobicContact CE2-CB 4.17Å; F55-E63 HydrophobicContact CG-CB 4.05Å; F55-E63 HydrophobicContact CZ-CB 4.27Å; F55-E63 WeakPolarHBondContact CZ-OE2 3.17Å; R60-E63 HydrophobicContact CB-CB 4.37Å; R60-E63 HydrophobicContact CB-CG 4.26Å; R60-E63 WeakPolarHBondContact CD-OE1 3.38Å; R60-E63 WeakPolarHBondContact CG-OE1 3.15Å; R60-E63 IonicContact CZ-OE1 3.65Å; R60-E63 IonicContact NE-OE1 3.86Å; R60-E63 IonicContact NH1-OE1 3.65Å; R60-E63 PolarHBondContact NH1-OE1 3.28Å; R60-E63 IonicContact NH1-OE2 3.79Å; R60-E63 PolarHBondContact O-N 3.02Å; V61-E63 VanDerWaalsContact C-N 3.28Å; V61-E63 PolarHBondContact O-N 3.42Å
64A89.1Confident86.7Confident0 Ų054.8 Ų54.80%031%0.31CS..Hα-helixtrans-81.5-37.4-175.600000113.3S52 F55 I56 R60 V61 L67 L68S52-A64 PolarHBondContact OG-O 3.31Å; F55-A64 HydrophobicContact CB-CB 3.95Å; I56-A64 HydrophobicContact CD1-CB 4.17Å; I56-A64 HydrophobicContact CG1-CB 3.67Å; R60-A64 PolarHBondContact O-N 3.26Å; V61-A64 WeakPolarHBondContact O-CB 3.45Å; V61-A64 PolarHBondContact O-N 3Å; A64-L67 WeakPolarHBondContact O-CB 3.45Å; A64-L67 PolarHBondContact O-N 2.99Å; A64-L68 WeakPolarHBondContact O-CG 3.49Å; A64-L68 PolarHBondContact O-N 3.35Å
65D85.2Confident86Confident58 Ų5861.7 Ų61.731%0.3135%0.347SS..Hα-helixtrans-60.6-45.3-173.7-159.855.2000115.2V61 L67 L68 S69 K97V61-D65 PolarHBondContact O-N 2.83Å; D65-L67 VanDerWaalsContact C-N 3.31Å; D65-L67 PolarHBondContact O-N 3.16Å; D65-L68 PolarHBondContact O-N 2.89Å; D65-S69 WeakPolarHBondContact O-CB 3.28Å; D65-S69 PolarHBondContact O-N 3.27Å; D65-S69 PolarHBondContact O-OG 3.42Å; D65-K97 IonicContact OD1-NZ 2.78Å; D65-K97 PolarHBondContact OD1-NZ 3.3Å
66P87.6Confident85.2Confident78 Ų7868.4 Ų68.451%0.50638%0.383SS..Hα-helixtrans-64.3-38.4176.924.2-33.4000111.8E62 S69 E70E62-P66 WeakPolarHBondContact O-CD 3.47Å; P66-S69 PolarHBondContact O-N 3.26Å; P66-E70 PolarHBondContact O-N 2.99Å
67L86.9Confident84.8Confident36 Ų3669 Ų6919%0.18839%0.386CS..Hα-helixtrans-64.9-42177.1-69.1-179.9000111.9V48 K51 S52 F55 A64 D65 S69 E70 V71V48-L67 HydrophobicContact CG1-CB 3.64Å; V48-L67 HydrophobicContact CG1-CD2 3.96Å; V48-L67 HydrophobicContact CG1-CG 4.23Å; K51-L67 HydrophobicContact CD-CD1 4.1Å; S52-L67 WeakPolarHBondContact OG-CB 3.43Å; F55-L67 HydrophobicContact CD2-CD1 4.05Å; F55-L67 HydrophobicContact CE2-CD1 3.79Å; A64-L67 WeakPolarHBondContact O-CB 3.45Å; A64-L67 PolarHBondContact O-N 2.99Å; D65-L67 VanDerWaalsContact C-N 3.31Å; D65-L67 PolarHBondContact O-N 3.16Å; L67-S69 VanDerWaalsContact C-N 3.32Å; L67-E70 PolarHBondContact O-N 2.73Å; L67-V71 VanDerWaalsContact O-CG2 3.27Å; L67-V71 WeakPolarHBondContact O-CG2 3.12Å; L67-V71 PolarHBondContact O-N 3.12Å; L67-V71 VanDerWaalsContact O-N 3.09Å
68L88.3Confident84.6Confident1 Ų167.4 Ų67.41%0.00538%0.383CS..Hα-helixtrans-66.6-36.4175.9-69.9170.6000111.9I56 A64 D65 V71 C72 L85 C88 F89 M92I56-L68 HydrophobicContact CD1-CD1 4.09Å; A64-L68 WeakPolarHBondContact O-CG 3.49Å; A64-L68 PolarHBondContact O-N 3.35Å; D65-L68 PolarHBondContact O-N 2.89Å; L68-V71 PolarHBondContact O-N 3.47Å; L68-C72 WeakPolarHBondContact O-CB 3.41Å; L68-C72 PolarHBondContact O-N 3.28Å; L68-C72 PolarHBondContact O-SG 3.02Å; L68-L85 HydrophobicContact CD2-CD2 3.57Å; L68-C88 HydrophobicContact CD1-CB 3.91Å; L68-C88 HydrophobicContact CD2-CB 3.7Å; L68-C88 HydrophobicContact CG-CB 4.49Å; L68-F89 HydrophobicContact CB-CE1 4.29Å; L68-F89 HydrophobicContact CD1-CE1 4.09Å; L68-M92 HydrophobicContact CD1-CE 4.42Å; L68-M92 HydrophobicContact CD1-SD 3.47Å; L68-M92 WeakPolarHBondContact CD1-SD 3.41Å
69S85.2Confident84.2Confident65 Ų6569 Ų6946%0.45539%0.389SS..Hα-helixtrans-64.9-42.7177.2-60.60000111.7D65 P66 L67 C72 G73D65-S69 WeakPolarHBondContact O-CB 3.28Å; D65-S69 PolarHBondContact O-N 3.27Å; D65-S69 PolarHBondContact O-OG 3.42Å; P66-S69 PolarHBondContact O-N 3.26Å; L67-S69 VanDerWaalsContact C-N 3.32Å; S69-C72 PolarHBondContact O-N 3.42Å; S69-G73 PolarHBondContact O-N 2.93Å
70E84.4Confident83.9Confident113 Ų11366.2 Ų66.253%0.52836%0.36SS..Hα-helixtrans-59.9-45.8173.3-173.4-176.1173.700111.5P66 L67 C72 G73 S74P66-E70 PolarHBondContact O-N 2.99Å; L67-E70 PolarHBondContact O-N 2.73Å; E70-C72 PolarHBondContact O-N 3.2Å; E70-G73 PolarHBondContact O-N 2.86Å; E70-S74 PolarHBondContact O-N 3.35Å; E70-S74 PolarHBondContact O-OG 3.24Å
71V85.2Confident83.7Confident3 Ų360.4 Ų60.42%0.01834%0.338CS..Hα-helixtrans-62.5-44.3178167.30000111.6V45 V48 A49 L67 L68 G73 S74 T81 L85V45-V71 HydrophobicContact CG1-CB 3.92Å; V45-V71 HydrophobicContact CG1-CG1 3.29Å; V45-V71 HydrophobicContact CG1-CG2 3.95Å; V45-V71 WeakPolarHBondContact O-CG2 3.48Å; V48-V71 HydrophobicContact CB-CG2 3.66Å; V48-V71 HydrophobicContact CG1-CG2 3.44Å; V48-V71 VanDerWaalsContact CG1-CG2 3.44Å; A49-V71 HydrophobicContact CB-CG1 4.39Å; L67-V71 VanDerWaalsContact O-CG2 3.27Å; L67-V71 WeakPolarHBondContact O-CG2 3.12Å; L67-V71 PolarHBondContact O-N 3.12Å; L67-V71 VanDerWaalsContact O-N 3.09Å; L68-V71 PolarHBondContact O-N 3.47Å; V71-G73 VanDerWaalsContact C-N 3.28Å; V71-G73 PolarHBondContact O-N 2.84Å; V71-S74 WeakPolarHBondContact O-CB 3.36Å; V71-S74 PolarHBondContact O-N 3.1Å; V71-S74 PolarHBondContact O-OG 3.4Å; V71-T81 HydrophobicContact CG1-CG2 3.62Å; V71-L85 HydrophobicContact CB-CD2 4.4Å; V71-L85 HydrophobicContact CG1-CD1 3.87Å; V71-L85 HydrophobicContact CG1-CD2 3.73Å; V71-L85 HydrophobicContact CG1-CG 3.87Å
72C82.6Confident83.7Confident39 Ų3957.8 Ų57.826%0.26432%0.321SS..Hα-helixtrans-65.6-30176.5-78.40000113.5L68 S69 E70 S74 F89 K104L68-C72 WeakPolarHBondContact O-CB 3.41Å; L68-C72 PolarHBondContact O-N 3.28Å; L68-C72 PolarHBondContact O-SG 3.02Å; S69-C72 PolarHBondContact O-N 3.42Å; E70-C72 PolarHBondContact O-N 3.2Å; C72-S74 PolarHBondContact O-N 2.92Å; C72-F89 VanDerWaalsContact SG-CZ 3.57Å; C72-K104 PolarHBondContact O-NZ 3.41Å
73G81.3Confident83.6Confident56 Ų5652.3 Ų52.358%0.57730%0.296SS*.Hα-helixtrans-69.5-17.5175.800000114S69 E70 V71S69-G73 PolarHBondContact O-N 2.93Å; E70-G73 PolarHBondContact O-N 2.86Å; V71-G73 VanDerWaalsContact C-N 3.28Å; V71-G73 PolarHBondContact O-N 2.84Å
74S80.8Confident83.6Confident36 Ų3648.4 Ų48.425%0.25228%0.278SS..  trans-68.5135.4179.1-59.80000111.5E70 V71 C72 I77 K104E70-S74 PolarHBondContact O-N 3.35Å; E70-S74 PolarHBondContact O-OG 3.24Å; V71-S74 WeakPolarHBondContact O-CB 3.36Å; V71-S74 PolarHBondContact O-N 3.1Å; V71-S74 PolarHBondContact O-OG 3.4Å; C72-S74 PolarHBondContact O-N 2.92Å; S74-I77 WeakPolarHBondContact O-CG1 3.3Å; S74-K104 PolarHBondContact O-NZ 3.37Å
75D71.5Confident83.6Confident146 Ų14648.4 Ų48.478%0.78128%0.278SS*.SBendtrans-72.8-33.5-179-71.9-35.1000113
76N73.5Confident83.9Confident150 Ų15046.2 Ų46.280%0.80227%0.267SS*.  trans-105.786.1-178.6-68.9-44.4000110.4
77I79.6Confident83.9Confident29 Ų2947.8 Ų47.815%0.14926%0.263CS..  trans-94.9115.3172.3-51.9-179.4000107.4S74 T81 I82 L85 L101 K104S74-I77 WeakPolarHBondContact O-CG1 3.3Å; I77-T81 HydrophobicContact CG2-CG2 3.49Å; I77-T81 VanDerWaalsContact CG2-CG2 3.49Å; I77-I82 HydrophobicContact CG2-CG1 3.62Å; I77-L85 HydrophobicContact CD1-CD1 4.45Å; I77-L85 HydrophobicContact CG2-CD1 4.35Å; I77-L101 HydrophobicContact CD1-CD1 4.28Å; I77-K104 HydrophobicContact CD1-CD 4.39Å
78D82.7Confident84.1Confident42 Ų4246 Ų4623%0.22525%0.254CS..  trans-87.3175.5178.379.5-34.8000112.1F43 L80 T81 I82F43-D78 HydrophobicContact CE2-CB 4.49Å; F43-D78 WeakPolarHBondContact CE2-OD1 3.31Å; F43-D78 WeakPolarHBondContact CE2-OD2 3.2Å; F43-D78 WeakPolarHBondContact CZ-OD1 3.41Å; F43-D78 WeakPolarHBondContact CZ-OD2 3.15Å; D78-L80 VanDerWaalsContact C-N 3.32Å; D78-L80 PolarHBondContact O-N 3.36Å; D78-T81 PolarHBondContact O-N 3.22Å; D78-T81 WeakPolarHBondContact OD1-CB 3.44Å; D78-T81 PolarHBondContact OD1-N 3.46Å; D78-T81 PolarHBondContact OD1-OG1 3.06Å; D78-I82 VanDerWaalsContact O-CG1 3.31Å; D78-I82 WeakPolarHBondContact O-CG1 3.4Å; D78-I82 PolarHBondContact O-N 2.97Å
79H81.6Confident84.2Confident86 Ų8646.2 Ų46.240%0.39826%0.255SS..Hα-helixtrans-58.7-41.9-174.9-172.170.2000113I82 Q83H79-I82 PolarHBondContact O-N 3.32Å; H79-Q83 PolarHBondContact CD2-NE2 3.3Å; H79-Q83 VanDerWaalsContact CD2-NE2 3.32Å; H79-Q83 PolarHBondContact NE2-NE2 3.19Å; H79-Q83 WeakPolarHBondContact O-CG 3.37Å; H79-Q83 PolarHBondContact O-N 2.92Å
80L81.9Confident84.4Confident5 Ų549.2 Ų49.23%0.02626%0.256CS..Hα-helixtrans-67.1-38.3179.7-61.4173.1000111.7Q10 E11 L14 F43 D78 Q83 A84Q10-L80 HydrophobicContact CB-CD1 4.03Å; E11-L80 HydrophobicContact CG-CD1 4.07Å; E11-L80 HydrophobicContact CG-CD2 3.53Å; E11-L80 HydrophobicContact CG-CG 4.38Å; L14-L80 HydrophobicContact CD1-CB 4.3Å; L14-L80 HydrophobicContact CD1-CD1 4.09Å; F43-L80 HydrophobicContact CE1-CB 4.07Å; F43-L80 HydrophobicContact CE1-CD1 4.19Å; F43-L80 HydrophobicContact CZ-CB 3.89Å; F43-L80 HydrophobicContact CZ-CD1 4.25Å; D78-L80 VanDerWaalsContact C-N 3.32Å; D78-L80 PolarHBondContact O-N 3.36Å; L80-Q83 PolarHBondContact O-N 3.28Å; L80-A84 WeakPolarHBondContact O-CB 3.36Å; L80-A84 PolarHBondContact O-N 3.28Å
81T86.1Confident84.6Confident1 Ų148.2 Ų48.21%0.00625%0.251CS..Hα-helixtrans-64.6-42.7173.7-56.50000111.4V45 A46 V71 I77 D78 Q83 A84 L85V45-T81 HydrophobicContact CB-CG2 4.23Å; V45-T81 HydrophobicContact CG1-CG2 3.44Å; V45-T81 VanDerWaalsContact CG1-CG2 3.44Å; A46-T81 WeakPolarHBondContact CB-OG1 3.26Å; A46-T81 PolarHBondContact N-OG1 3.33Å; V71-T81 HydrophobicContact CG1-CG2 3.62Å; I77-T81 HydrophobicContact CG2-CG2 3.49Å; I77-T81 VanDerWaalsContact CG2-CG2 3.49Å; D78-T81 PolarHBondContact O-N 3.22Å; D78-T81 WeakPolarHBondContact OD1-CB 3.44Å; D78-T81 PolarHBondContact OD1-N 3.46Å; D78-T81 PolarHBondContact OD1-OG1 3.06Å; T81-Q83 VanDerWaalsContact C-N 3.31Å; T81-Q83 PolarHBondContact O-N 3.21Å; T81-A84 PolarHBondContact O-N 3.04Å; T81-L85 HydrophobicContact CG2-CD1 4.15Å; T81-L85 HydrophobicContact CG2-CG 4.29Å; T81-L85 WeakPolarHBondContact O-CB 3.29Å; T81-L85 WeakPolarHBondContact O-CG 3.5Å; T81-L85 PolarHBondContact O-N 3.4Å
82I88.3Confident84.7Confident6 Ų649.6 Ų49.63%0.03126%0.258CS..Hα-helixtrans-59.5-44177.5-64.8161.5000110.5I77 D78 H79 T86 L101 Y102 V105 F115I77-I82 HydrophobicContact CG2-CG1 3.62Å; D78-I82 VanDerWaalsContact O-CG1 3.31Å; D78-I82 WeakPolarHBondContact O-CG1 3.4Å; D78-I82 PolarHBondContact O-N 2.97Å; H79-I82 PolarHBondContact O-N 3.32Å; I82-T86 VanDerWaalsContact O-CB 3.31Å; I82-T86 WeakPolarHBondContact O-CB 3.32Å; I82-T86 PolarHBondContact O-N 2.96Å; I82-T86 PolarHBondContact O-OG1 3.34Å; I82-L101 HydrophobicContact CG2-CD2 4.44Å; I82-Y102 HydrophobicContact CG2-CE1 4.05Å; I82-V105 HydrophobicContact CD1-CB 4.32Å; I82-V105 HydrophobicContact CD1-CG1 3.62Å; I82-V105 HydrophobicContact CD1-CG2 3.65Å; I82-V105 HydrophobicContact CG1-CG2 3.86Å; I82-F115 HydrophobicContact CD1-CE1 3.92Å; I82-F115 HydrophobicContact CD1-CE2 4.49Å; I82-F115 HydrophobicContact CD1-CZ 3.67Å; I82-F115 HydrophobicContact CG2-CE1 4.34Å
83Q86.3Confident85Confident66 Ų6650.5 Ų50.531%0.30827%0.274SS..Hα-helixtrans-61.5-49.3176.3-71.2-176.21.800111.5H79 L80 T81 L85 T86 Y87H79-Q83 PolarHBondContact CD2-NE2 3.3Å; H79-Q83 VanDerWaalsContact CD2-NE2 3.32Å; H79-Q83 PolarHBondContact NE2-NE2 3.19Å; H79-Q83 WeakPolarHBondContact O-CG 3.37Å; H79-Q83 PolarHBondContact O-N 2.92Å; L80-Q83 PolarHBondContact O-N 3.28Å; T81-Q83 VanDerWaalsContact C-N 3.31Å; T81-Q83 PolarHBondContact O-N 3.21Å; Q83-L85 PolarHBondContact O-N 2.96Å; Q83-T86 WeakPolarHBondContact O-CB 3.47Å; Q83-T86 PolarHBondContact O-N 3.19Å; Q83-T86 VanDerWaalsContact O-N 3.16Å; Q83-Y87 WeakPolarHBondContact O-CD2 3.44Å; Q83-Y87 PolarHBondContact O-N 3.08Å
84A86.7Confident85.3Confident0 Ų050.7 Ų50.70%026%0.26CS..Hα-helixtrans-60.4-46.1179.400000112.1A49 L50 L80 T81 T86 Y87 C88A49-A84 HydrophobicContact CB-CB 3.53Å; L50-A84 HydrophobicContact CD2-CB 4.18Å; L50-A84 HydrophobicContact CG-CB 4.23Å; L80-A84 WeakPolarHBondContact O-CB 3.36Å; L80-A84 PolarHBondContact O-N 3.28Å; T81-A84 PolarHBondContact O-N 3.04Å; A84-T86 VanDerWaalsContact C-N 3.31Å; A84-T86 PolarHBondContact O-N 3.02Å; A84-Y87 PolarHBondContact O-N 2.73Å; A84-C88 PolarHBondContact O-N 3.33Å; A84-C88 PolarHBondContact O-SG 3.04Å
85L90.6Very high85.8Confident0 Ų050.2 Ų50.20%026%0.256CS..Hα-helixtrans-59.6-41.1173.5-78.8178.2000112.3A49 L68 V71 I77 T81 Q83 Y87 C88 F89 L101A49-L85 HydrophobicContact CB-CD2 4.43Å; L68-L85 HydrophobicContact CD2-CD2 3.57Å; V71-L85 HydrophobicContact CB-CD2 4.4Å; V71-L85 HydrophobicContact CG1-CD1 3.87Å; V71-L85 HydrophobicContact CG1-CD2 3.73Å; V71-L85 HydrophobicContact CG1-CG 3.87Å; I77-L85 HydrophobicContact CD1-CD1 4.45Å; I77-L85 HydrophobicContact CG2-CD1 4.35Å; T81-L85 HydrophobicContact CG2-CD1 4.15Å; T81-L85 HydrophobicContact CG2-CG 4.29Å; T81-L85 WeakPolarHBondContact O-CB 3.29Å; T81-L85 WeakPolarHBondContact O-CG 3.5Å; T81-L85 PolarHBondContact O-N 3.4Å; Q83-L85 PolarHBondContact O-N 2.96Å; L85-Y87 VanDerWaalsContact C-N 3.33Å; L85-Y87 PolarHBondContact O-N 3.32Å; L85-C88 WeakPolarHBondContact O-CB 3.39Å; L85-C88 PolarHBondContact O-N 3.36Å; L85-F89 HydrophobicContact CB-CE2 4.19Å; L85-F89 HydrophobicContact CD2-CE2 4.15Å; L85-F89 HydrophobicContact CD2-CZ 3.98Å; L85-F89 WeakPolarHBondContact O-CD2 3.47Å; L85-F89 WeakPolarHBondContact O-CG 3.45Å; L85-F89 PolarHBondContact O-N 3.28Å; L85-L101 HydrophobicContact CB-CD2 3.68Å; L85-L101 HydrophobicContact CD1-CD1 3.69Å; L85-L101 HydrophobicContact CD1-CD2 4.15Å
86T90.5Very high86.8Confident13 Ų1348.5 Ų48.58%0.0824%0.243CC..Hα-helixtrans-60.7-44177.9-62.80000110.9I82 Q83 A84 R90 L98 Y102I82-T86 VanDerWaalsContact O-CB 3.31Å; I82-T86 WeakPolarHBondContact O-CB 3.32Å; I82-T86 PolarHBondContact O-N 2.96Å; I82-T86 PolarHBondContact O-OG1 3.34Å; Q83-T86 WeakPolarHBondContact O-CB 3.47Å; Q83-T86 PolarHBondContact O-N 3.19Å; Q83-T86 VanDerWaalsContact O-N 3.16Å; A84-T86 VanDerWaalsContact C-N 3.31Å; A84-T86 PolarHBondContact O-N 3.02Å; T86-R90 HydrophobicContact CG2-CG 4.49Å; T86-R90 WeakPolarHBondContact O-CB 3.31Å; T86-R90 WeakPolarHBondContact O-CG 3.2Å; T86-R90 PolarHBondContact O-N 3.23Å; T86-R90 VanDerWaalsContact O-N 3.1Å; T86-L98 HydrophobicContact CG2-CD2 3.95Å; T86-Y102 HydrophobicContact CG2-CE2 4.47Å; T86-Y102 PolarHBondContact OG1-OH 3.12Å
87Y88.5Confident87.6Confident110 Ų11044.2 Ų44.243%0.43122%0.218SC..Hα-helixtrans-61.5-48.3173.9-73-64.7000111.4Y18 L53 Q83 A84 L85 F89 R90 E91Y18-Y87 HydrophobicContact CE1-CD2 4.34Å; Y18-Y87 HydrophobicContact CE1-CE2 4.31Å; L53-Y87 HydrophobicContact CD2-CG 4.48Å; Q83-Y87 WeakPolarHBondContact O-CD2 3.44Å; Q83-Y87 PolarHBondContact O-N 3.08Å; A84-Y87 PolarHBondContact O-N 2.73Å; L85-Y87 VanDerWaalsContact C-N 3.33Å; L85-Y87 PolarHBondContact O-N 3.32Å; Y87-F89 PolarHBondContact O-N 3.22Å; Y87-R90 PolarHBondContact O-N 3.39Å; Y87-E91 VanDerWaalsContact O-CG 3.26Å; Y87-E91 WeakPolarHBondContact O-CG 3.48Å; Y87-E91 PolarHBondContact O-N 2.74Å
88C90.4Very high88.2Confident0 Ų043 Ų430%021%0.211CC..Hα-helixtrans-55.4-52178.9-67.30000112.8A49 L53 I56 L68 A84 L85 R90 E91 M92A49-C88 PolarHBondContact O-SG 3.42Å; L53-C88 VanDerWaalsContact CB-SG 3.59Å; I56-C88 HydrophobicContact CD1-CB 3.76Å; L68-C88 HydrophobicContact CD1-CB 3.91Å; L68-C88 HydrophobicContact CD2-CB 3.7Å; L68-C88 HydrophobicContact CG-CB 4.49Å; A84-C88 PolarHBondContact O-N 3.33Å; A84-C88 PolarHBondContact O-SG 3.04Å; L85-C88 WeakPolarHBondContact O-CB 3.39Å; L85-C88 PolarHBondContact O-N 3.36Å; C88-R90 VanDerWaalsContact C-N 3.32Å; C88-R90 PolarHBondContact O-N 3.41Å; C88-E91 PolarHBondContact O-N 3.34Å; C88-M92 VanDerWaalsContact O-CG 3.29Å; C88-M92 WeakPolarHBondContact O-CG 3.35Å; C88-M92 PolarHBondContact O-N 2.93Å
89F90.8Very high88.8Confident5 Ų541.4 Ų41.42%0.02220%0.203CC..Hα-helixtrans-69.2-29.5-177.4-62.3-34.8000113.4L68 C72 L85 Y87 M92 G93 Q94 K97 L98 L101L68-F89 HydrophobicContact CB-CE1 4.29Å; L68-F89 HydrophobicContact CD1-CE1 4.09Å; C72-F89 VanDerWaalsContact SG-CZ 3.57Å; L85-F89 HydrophobicContact CB-CE2 4.19Å; L85-F89 HydrophobicContact CD2-CE2 4.15Å; L85-F89 HydrophobicContact CD2-CZ 3.98Å; L85-F89 WeakPolarHBondContact O-CD2 3.47Å; L85-F89 WeakPolarHBondContact O-CG 3.45Å; L85-F89 PolarHBondContact O-N 3.28Å; Y87-F89 PolarHBondContact O-N 3.22Å; F89-M92 HydrophobicContact CD1-SD 4.36Å; F89-G93 PolarHBondContact O-N 3.49Å; F89-Q94 PolarHBondContact O-N 2.89Å; F89-K97 HydrophobicContact CB-CB 4.39Å; F89-K97 HydrophobicContact CD1-CB 3.79Å; F89-K97 HydrophobicContact CD1-CD 3.72Å; F89-K97 HydrophobicContact CD1-CG 4.4Å; F89-K97 HydrophobicContact CD2-CB 3.87Å; F89-K97 HydrophobicContact CE1-CB 3.97Å; F89-K97 HydrophobicContact CE1-CD 3.47Å; F89-K97 VanDerWaalsContact CE1-CD 3.47Å; F89-K97 HydrophobicContact CE1-CG 4.35Å; F89-K97 HydrophobicContact CE2-CB 4.02Å; F89-K97 HydrophobicContact CG-CB 3.75Å; F89-K97 HydrophobicContact CZ-CB 4.08Å; F89-K97 HydrophobicContact CZ-CD 4.09Å; F89-L98 HydrophobicContact CB-CD2 3.79Å; F89-L98 HydrophobicContact CB-CG 3.78Å; F89-L98 HydrophobicContact CD2-CD2 4.16Å; F89-L101 HydrophobicContact CD2-CD2 4.37Å; F89-L101 HydrophobicContact CE2-CB 4.46Å; F89-L101 HydrophobicContact CE2-CD2 4.28Å
90R89.3Confident89.3Confident127 Ų12741.6 Ų41.648%0.47921%0.211SC..Hα-helixtrans-66.7-44.4171.5-74.4178.866.5179.9-0.7111.8T86 Y87 C88 G93 L98T86-R90 HydrophobicContact CG2-CG 4.49Å; T86-R90 WeakPolarHBondContact O-CB 3.31Å; T86-R90 WeakPolarHBondContact O-CG 3.2Å; T86-R90 PolarHBondContact O-N 3.23Å; T86-R90 VanDerWaalsContact O-N 3.1Å; Y87-R90 PolarHBondContact O-N 3.39Å; C88-R90 VanDerWaalsContact C-N 3.32Å; C88-R90 PolarHBondContact O-N 3.41Å; R90-G93 PolarHBondContact O-N 3.39Å; R90-L98 HydrophobicContact CG-CD1 3.8Å
91E88Confident89.8Confident92 Ų9241.7 Ų41.743%0.4321%0.211SC..Hα-helixtrans-68.9-34.2179.2-67.2-67.7131.800112.4L53 I56 R57 Y87 C88 G93L53-E91 HydrophobicContact CD1-CG 3.98Å; I56-E91 HydrophobicContact CG2-CB 3.75Å; R57-E91 VanDerWaalsContact CD-OE2 3.3Å; R57-E91 WeakPolarHBondContact CD-OE2 3.37Å; R57-E91 IonicContact CZ-OE2 3.2Å; R57-E91 IonicContact NE-OE2 3.39Å; R57-E91 IonicContact NH1-OE1 2.73Å; R57-E91 PolarHBondContact NH1-OE1 3.39Å; R57-E91 VanDerWaalsContact NH1-OE1 3.09Å; R57-E91 IonicContact NH1-OE2 2.68Å; R57-E91 PolarHBondContact NH1-OE2 3.21Å; Y87-E91 VanDerWaalsContact O-CG 3.26Å; Y87-E91 WeakPolarHBondContact O-CG 3.48Å; Y87-E91 PolarHBondContact O-N 2.74Å; C88-E91 PolarHBondContact O-N 3.34Å; E91-G93 PolarHBondContact O-N 2.8Å
92M88.2Confident90.2Very high32 Ų3242.2 Ų42.216%0.15821%0.213CC..THydrogen-bonded Turntrans-73.4-10173.8-68.2171.775.900113.3I56 V61 L68 C88 F89 Q94I56-M92 HydrophobicContact CD1-CG 3.62Å; I56-M92 HydrophobicContact CD1-SD 3.69Å; I56-M92 HydrophobicContact CG1-CG 3.93Å; I56-M92 HydrophobicContact CG1-SD 4.28Å; I56-M92 HydrophobicContact CG2-CG 4.24Å; V61-M92 HydrophobicContact CG1-CE 3.75Å; V61-M92 HydrophobicContact CG1-CG 4.41Å; L68-M92 HydrophobicContact CD1-CE 4.42Å; L68-M92 HydrophobicContact CD1-SD 3.47Å; L68-M92 WeakPolarHBondContact CD1-SD 3.41Å; C88-M92 VanDerWaalsContact O-CG 3.29Å; C88-M92 WeakPolarHBondContact O-CG 3.35Å; C88-M92 PolarHBondContact O-N 2.93Å; F89-M92 HydrophobicContact CD1-SD 4.36Å; M92-Q94 VanDerWaalsContact C-N 3.29Å; M92-Q94 HydrophobicContact CB-CB 4.43Å; M92-Q94 HydrophobicContact CB-CG 4.09Å; M92-Q94 VanDerWaalsContact CE-OE1 3.26Å; M92-Q94 PolarHBondContact O-N 3.39Å
93G88.4Confident90.4Very high58 Ų5845.1 Ų45.160%0.59823%0.226SC*.THydrogen-bonded Turntrans63.932.8-175.100000113.3F89 R90 E91 P95F89-G93 PolarHBondContact O-N 3.49Å; R90-G93 PolarHBondContact O-N 3.39Å; E91-G93 PolarHBondContact O-N 2.8Å; G93-P95 WeakPolarHBondContact O-CD 3.32Å
94Q88.4Confident90.6Very high60 Ų6045.6 Ų45.628%0.2823%0.228SC..  trans-111.273-177.6-69.5-179.6-12.900111F89 M92 E96 K97F89-Q94 PolarHBondContact O-N 2.89Å; M92-Q94 VanDerWaalsContact C-N 3.29Å; M92-Q94 HydrophobicContact CB-CB 4.43Å; M92-Q94 HydrophobicContact CB-CG 4.09Å; M92-Q94 VanDerWaalsContact CE-OE1 3.26Å; M92-Q94 PolarHBondContact O-N 3.39Å; Q94-E96 PolarHBondContact O-N 3.43Å; Q94-K97 HydrophobicContact CB-CB 4.42Å; Q94-K97 HydrophobicContact CB-CD 4.37Å; Q94-K97 HydrophobicContact CB-CG 4.27Å; Q94-K97 PolarHBondContact O-N 3.02Å
95P90.1Very high90.7Very high27 Ų2746 Ų4618%0.17523%0.23CC..Hα-helixtrans-63.3-24-177.428.5-36.6000113.6G93 K97 L98 V99 R125 I126G93-P95 WeakPolarHBondContact O-CD 3.32Å; P95-K97 VanDerWaalsContact C-N 3.31Å; P95-K97 PolarHBondContact O-N 3.35Å; P95-L98 WeakPolarHBondContact O-CB 3.41Å; P95-L98 PolarHBondContact O-N 3.09Å; P95-L98 VanDerWaalsContact O-N 3.16Å; P95-V99 PolarHBondContact O-N 3.41Å; P95-V99 VanDerWaalsContact O-N 3.11Å; P95-R125 HydrophobicContact CB-CB 4.01Å; P95-I126 HydrophobicContact CB-CG2 3.65Å; P95-I126 HydrophobicContact CG-CG2 3.74Å
96E92.5Very high90.7Very high110 Ų11046.6 Ų46.651%0.51423%0.234SC..Hα-helixtrans-64.2-37.4176.6-55.875.6-164.800111.4Q94 L98 V99 T100 I126Q94-E96 PolarHBondContact O-N 3.43Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-V99 PolarHBondContact O-N 2.9Å; E96-T100 PolarHBondContact O-N 3.43Å; E96-T100 VanDerWaalsContact O-N 3.09Å; E96-T100 PolarHBondContact O-OG1 3.46Å; E96-T100 VanDerWaalsContact O-OG1 3.13Å; E96-I126 HydrophobicContact CG-CG2 4.18Å
97K91.2Very high90.7Very high60 Ų6054.2 Ų54.226%0.26127%0.266SS..Hα-helixtrans-67.8-33.7175.3-69.1-167-177.9166.80111.7D65 F89 Q94 P95 T100 L101D65-K97 IonicContact OD1-NZ 2.78Å; D65-K97 PolarHBondContact OD1-NZ 3.3Å; F89-K97 HydrophobicContact CB-CB 4.39Å; F89-K97 HydrophobicContact CD1-CB 3.79Å; F89-K97 HydrophobicContact CD1-CD 3.72Å; F89-K97 HydrophobicContact CD1-CG 4.4Å; F89-K97 HydrophobicContact CD2-CB 3.87Å; F89-K97 HydrophobicContact CE1-CB 3.97Å; F89-K97 HydrophobicContact CE1-CD 3.47Å; F89-K97 VanDerWaalsContact CE1-CD 3.47Å; F89-K97 HydrophobicContact CE1-CG 4.35Å; F89-K97 HydrophobicContact CE2-CB 4.02Å; F89-K97 HydrophobicContact CG-CB 3.75Å; F89-K97 HydrophobicContact CZ-CB 4.08Å; F89-K97 HydrophobicContact CZ-CD 4.09Å; Q94-K97 HydrophobicContact CB-CB 4.42Å; Q94-K97 HydrophobicContact CB-CD 4.37Å; Q94-K97 HydrophobicContact CB-CG 4.27Å; Q94-K97 PolarHBondContact O-N 3.02Å; P95-K97 VanDerWaalsContact C-N 3.31Å; P95-K97 PolarHBondContact O-N 3.35Å; K97-T100 PolarHBondContact O-N 2.68Å; K97-L101 WeakPolarHBondContact O-CB 3.42Å; K97-L101 PolarHBondContact O-N 3.05Å
98L92.4Very high90.6Very high3 Ų353.1 Ų53.12%0.01628%0.275CS..Hα-helixtrans-64.1-43.6172.5-69.6170000111.6T86 F89 R90 P95 E96 T100 L101 Y102T86-L98 HydrophobicContact CG2-CD2 3.95Å; F89-L98 HydrophobicContact CB-CD2 3.79Å; F89-L98 HydrophobicContact CB-CG 3.78Å; F89-L98 HydrophobicContact CD2-CD2 4.16Å; R90-L98 HydrophobicContact CG-CD1 3.8Å; P95-L98 WeakPolarHBondContact O-CB 3.41Å; P95-L98 PolarHBondContact O-N 3.09Å; P95-L98 VanDerWaalsContact O-N 3.16Å; E96-L98 VanDerWaalsContact C-N 3.32Å; L98-T100 VanDerWaalsContact C-N 3.31Å; L98-T100 PolarHBondContact O-N 2.97Å; L98-L101 PolarHBondContact O-N 3.32Å; L98-Y102 HydrophobicContact CB-CD2 4.48Å; L98-Y102 HydrophobicContact CD2-CE2 4.19Å; L98-Y102 VanDerWaalsContact O-CD2 3.27Å; L98-Y102 WeakPolarHBondContact O-CD2 3.37Å; L98-Y102 PolarHBondContact O-N 3.32Å
99V94.7Very high90.5Very high9 Ų957.5 Ų57.56%0.05530%0.295CS..Hα-helixtrans-57.4-48.2175.7172.20000110.1P95 E96 L101 Y102 Q103 L119 Y123 I126P95-V99 PolarHBondContact O-N 3.41Å; P95-V99 VanDerWaalsContact O-N 3.11Å; E96-V99 PolarHBondContact O-N 2.9Å; V99-L101 PolarHBondContact O-N 3.25Å; V99-Y102 PolarHBondContact O-N 3.39Å; V99-Q103 HydrophobicContact CG1-CG 4.23Å; V99-Q103 WeakPolarHBondContact O-CB 3.32Å; V99-Q103 WeakPolarHBondContact O-CG 3.27Å; V99-Q103 PolarHBondContact O-N 3.04Å; V99-L119 HydrophobicContact CG1-CD1 4.39Å; V99-Y123 HydrophobicContact CG1-CD1 3.94Å; V99-Y123 HydrophobicContact CG1-CE1 3.48Å; V99-Y123 VanDerWaalsContact CG1-CE1 3.48Å; V99-Y123 HydrophobicContact CG2-CD1 4.16Å; V99-I126 HydrophobicContact CG2-CD1 3.76Å; V99-I126 HydrophobicContact CG2-CG1 4.2Å; V99-I126 HydrophobicContact CG2-CG2 4.49Å
100T92.8Very high90.4Very high90 Ų9060.4 Ų60.455%0.55231%0.314SS*.Hα-helixtrans-60.3-44.2179.1-55.30000112.3E96 K97 L98 Q103 K104E96-T100 PolarHBondContact O-N 3.43Å; E96-T100 VanDerWaalsContact O-N 3.09Å; E96-T100 PolarHBondContact O-OG1 3.46Å; E96-T100 VanDerWaalsContact O-OG1 3.13Å; K97-T100 PolarHBondContact O-N 2.68Å; L98-T100 VanDerWaalsContact C-N 3.31Å; L98-T100 PolarHBondContact O-N 2.97Å; T100-Q103 PolarHBondContact O-N 2.89Å; T100-K104 PolarHBondContact O-N 3.14Å; T100-K104 VanDerWaalsContact O-N 3.07Å
101L91.8Very high90.5Very high7 Ų760.2 Ų60.24%0.03732%0.323CS..Hα-helixtrans-60.3-53177.2176.462.8000111.4I77 I82 L85 F89 K97 L98 V99 Q103 K104 V105I77-L101 HydrophobicContact CD1-CD1 4.28Å; I82-L101 HydrophobicContact CG2-CD2 4.44Å; L85-L101 HydrophobicContact CB-CD2 3.68Å; L85-L101 HydrophobicContact CD1-CD1 3.69Å; L85-L101 HydrophobicContact CD1-CD2 4.15Å; F89-L101 HydrophobicContact CD2-CD2 4.37Å; F89-L101 HydrophobicContact CE2-CB 4.46Å; F89-L101 HydrophobicContact CE2-CD2 4.28Å; K97-L101 WeakPolarHBondContact O-CB 3.42Å; K97-L101 PolarHBondContact O-N 3.05Å; L98-L101 PolarHBondContact O-N 3.32Å; V99-L101 PolarHBondContact O-N 3.25Å; L101-Q103 VanDerWaalsContact C-N 3.32Å; L101-Q103 PolarHBondContact O-N 2.83Å; L101-K104 WeakPolarHBondContact O-CB 3.48Å; L101-K104 PolarHBondContact O-N 3.36Å; L101-K104 VanDerWaalsContact O-N 3.14Å; L101-V105 HydrophobicContact CD1-CG2 4.2Å; L101-V105 WeakPolarHBondContact O-CG2 3.19Å; L101-V105 PolarHBondContact O-N 3.06Å
102Y93.7Very high90.6Very high12 Ų1257.6 Ų57.65%0.04731%0.312CS..Hα-helixtrans-71.1-26.4-177.2-76.3-67.5000112.9I82 T86 L98 V99 S106 F115 Q118I82-Y102 HydrophobicContact CG2-CE1 4.05Å; T86-Y102 HydrophobicContact CG2-CE2 4.47Å; T86-Y102 PolarHBondContact OG1-OH 3.12Å; L98-Y102 HydrophobicContact CB-CD2 4.48Å; L98-Y102 HydrophobicContact CD2-CE2 4.19Å; L98-Y102 VanDerWaalsContact O-CD2 3.27Å; L98-Y102 WeakPolarHBondContact O-CD2 3.37Å; L98-Y102 PolarHBondContact O-N 3.32Å; V99-Y102 PolarHBondContact O-N 3.39Å; Y102-S106 WeakPolarHBondContact O-CB 3.27Å; Y102-S106 PolarHBondContact O-N 3.07Å; Y102-S106 PolarHBondContact O-OG 3.1Å; Y102-F115 HydrophobicContact CD1-CD1 4.43Å; Y102-F115 HydrophobicContact CE1-CD1 4.18Å; Y102-Q118 HydrophobicContact CD1-CB 3.61Å; Y102-Q118 HydrophobicContact CD2-CB 3.92Å; Y102-Q118 HydrophobicContact CE1-CB 3.28Å; Y102-Q118 HydrophobicContact CE1-CG 3.77Å; Y102-Q118 HydrophobicContact CE2-CB 3.63Å; Y102-Q118 HydrophobicContact CE2-CG 4.37Å; Y102-Q118 HydrophobicContact CG-CB 3.93Å
103Q92.9Very high90.8Very high66 Ų6658 Ų5831%0.30831%0.313SS..Hα-helixtrans-63.4-45167.3-77.4177.7-14.500111.7V99 T100 L101 S106 K107 L119 Y123V99-Q103 HydrophobicContact CG1-CG 4.23Å; V99-Q103 WeakPolarHBondContact O-CB 3.32Å; V99-Q103 WeakPolarHBondContact O-CG 3.27Å; V99-Q103 PolarHBondContact O-N 3.04Å; T100-Q103 PolarHBondContact O-N 2.89Å; L101-Q103 VanDerWaalsContact C-N 3.32Å; L101-Q103 PolarHBondContact O-N 2.83Å; Q103-S106 WeakPolarHBondContact CA-OG 3.06Å; Q103-S106 PolarHBondContact O-OG 2.92Å; Q103-S106 VanDerWaalsContact O-OG 3.13Å; Q103-K107 VanDerWaalsContact O-CG 3.28Å; Q103-K107 WeakPolarHBondContact O-CG 3.31Å; Q103-K107 PolarHBondContact O-N 3.48Å; Q103-K107 VanDerWaalsContact O-N 3.16Å; Q103-L119 HydrophobicContact CG-CD1 3.81Å; Q103-Y123 PolarHBondContact NE2-OH 3.06Å
104K90.3Very high91Very high77 Ų7760.4 Ų60.434%0.33531%0.312SS..Hα-helixtrans-62.7-45.8177.9-178.1174.8171.6174.80111C72 S74 I77 T100 L101 K107C72-K104 PolarHBondContact O-NZ 3.41Å; S74-K104 PolarHBondContact O-NZ 3.37Å; I77-K104 HydrophobicContact CD1-CD 4.39Å; T100-K104 PolarHBondContact O-N 3.14Å; T100-K104 VanDerWaalsContact O-N 3.07Å; L101-K104 WeakPolarHBondContact O-CB 3.48Å; L101-K104 PolarHBondContact O-N 3.36Å; L101-K104 VanDerWaalsContact O-N 3.14Å; K104-K107 PolarHBondContact O-N 2.84Å
105V90.1Very high91.2Very high7 Ų758 Ų584%0.04230%0.301CS..Hα-helixtrans-71.7-40.9-178.3177.40000112.1I82 L101 K107 S108 Q109 F115I82-V105 HydrophobicContact CD1-CB 4.32Å; I82-V105 HydrophobicContact CD1-CG1 3.62Å; I82-V105 HydrophobicContact CD1-CG2 3.65Å; I82-V105 HydrophobicContact CG1-CG2 3.86Å; L101-V105 HydrophobicContact CD1-CG2 4.2Å; L101-V105 WeakPolarHBondContact O-CG2 3.19Å; L101-V105 PolarHBondContact O-N 3.06Å; V105-K107 VanDerWaalsContact C-N 3.27Å; V105-K107 PolarHBondContact O-N 3.02Å; V105-S108 PolarHBondContact O-N 3.45Å; V105-S108 VanDerWaalsContact O-N 3.14Å; V105-S108 PolarHBondContact O-OG 2.67Å; V105-Q109 PolarHBondContact O-N 2.87Å; V105-F115 HydrophobicContact CG1-CB 4.3Å; V105-F115 HydrophobicContact CG1-CD1 3.85Å; V105-F115 HydrophobicContact CG1-CD2 3.25Å; V105-F115 HydrophobicContact CG1-CE1 3.87Å; V105-F115 HydrophobicContact CG1-CE2 3.25Å; V105-F115 HydrophobicContact CG1-CG 3.55Å; V105-F115 HydrophobicContact CG1-CZ 3.58Å
106S90.4Very high91.4Very high14 Ų1456.9 Ų56.910%0.09829%0.294CS..Hα-helixtrans-66.1-28.5177.157.40000112.6Y102 Q103 S108 Q109 P110Y102-S106 WeakPolarHBondContact O-CB 3.27Å; Y102-S106 PolarHBondContact O-N 3.07Å; Y102-S106 PolarHBondContact O-OG 3.1Å; Q103-S106 WeakPolarHBondContact CA-OG 3.06Å; Q103-S106 PolarHBondContact O-OG 2.92Å; Q103-S106 VanDerWaalsContact O-OG 3.13Å; S106-S108 VanDerWaalsContact C-N 3.33Å; S106-S108 PolarHBondContact O-N 2.98Å; S106-Q109 CarbonylContact O-C 3.33Å; S106-Q109 PolarHBondContact O-N 2.77Å; S106-P110 WeakPolarHBondContact O-CA 3.44Å
107K89.1Confident91.4Very high172 Ų17252.3 Ų52.375%0.74827%0.274SS*.Hα-helixtrans-64-35.8171.7-77.1173.7-178.4-179.60112.8Q103 K104 V105Q103-K107 VanDerWaalsContact O-CG 3.28Å; Q103-K107 WeakPolarHBondContact O-CG 3.31Å; Q103-K107 PolarHBondContact O-N 3.48Å; Q103-K107 VanDerWaalsContact O-N 3.16Å; K104-K107 PolarHBondContact O-N 2.84Å; V105-K107 VanDerWaalsContact C-N 3.27Å; V105-K107 PolarHBondContact O-N 3.02Å
108S87.5Confident91.5Very high88 Ų8852.9 Ų52.962%0.61528%0.277SS*.Hα-helixtrans-80.6-27.4177.568.60000112.7V105 S106V105-S108 PolarHBondContact O-N 3.45Å; V105-S108 VanDerWaalsContact O-N 3.14Å; V105-S108 PolarHBondContact O-OG 2.67Å; S106-S108 VanDerWaalsContact C-N 3.33Å; S106-S108 PolarHBondContact O-N 2.98Å
109Q87.8Confident91.7Very high92 Ų9253.2 Ų53.243%0.4328%0.279SS..  trans-132.974.1177-60.1-175.631.800111.6V105 S106 N111 N112 F115V105-Q109 PolarHBondContact O-N 2.87Å; S106-Q109 CarbonylContact O-C 3.33Å; S106-Q109 PolarHBondContact O-N 2.77Å; Q109-N111 PolarHBondContact O-N 2.82Å; Q109-N111 VanDerWaalsContact O-N 3.12Å; Q109-N112 HydrophobicContact CB-CB 3.82Å; Q109-N112 WeakPolarHBondContact O-CB 3.2Å; Q109-N112 PolarHBondContact O-N 3.27Å; Q109-N112 VanDerWaalsContact O-N 3.1Å; Q109-N112 PolarHBondContact OE1-ND2 3.38Å; Q109-F115 HydrophobicContact CB-CD2 4.15Å; Q109-F115 HydrophobicContact CB-CE2 4.37Å; Q109-F115 HydrophobicContact CG-CE2 4.46Å
110P89Confident91.6Very high65 Ų6552.8 Ų52.842%0.42228%0.277SS..THydrogen-bonded Turntrans-68.6-14-170.826-35.8000115S106 L116 Q138S106-P110 WeakPolarHBondContact O-CA 3.44Å; P110-L116 WeakPolarHBondContact O-CD1 3.33Å; P110-Q138 PolarHBondContact O-NE2 3.41Å
111N90.4Very high91.6Very high123 Ų12351.2 Ų51.266%0.65826%0.264SS*.THydrogen-bonded Turntrans-109.412.6178.5-63.5-22.5000112.5Q109 E113 L142Q109-N111 PolarHBondContact O-N 2.82Å; Q109-N111 VanDerWaalsContact O-N 3.12Å; N111-E113 PolarHBondContact O-N 2.92Å; N111-L142 HydrophobicContact CB-CD1 4.12Å; N111-L142 VanDerWaalsContact O-CD2 3.31Å; N111-L142 WeakPolarHBondContact O-CD2 3.19Å
112N91.3Very high91.7Very high38 Ų3851 Ų5120%0.20326%0.263CS..  trans-83.3108.6174.8-172.7-39.3000109.5Q109 D114 F115 L116Q109-N112 HydrophobicContact CB-CB 3.82Å; Q109-N112 WeakPolarHBondContact O-CB 3.2Å; Q109-N112 PolarHBondContact O-N 3.27Å; Q109-N112 VanDerWaalsContact O-N 3.1Å; Q109-N112 PolarHBondContact OE1-ND2 3.38Å; N112-D114 VanDerWaalsContact C-N 3.29Å; N112-D114 PolarHBondContact O-N 3.34Å; N112-D114 WeakPolarHBondContact OD1-CB 3.23Å; N112-D114 PolarHBondContact OD1-N 2.91Å; N112-F115 HydrophobicContact CB-CB 4.3Å; N112-F115 HydrophobicContact CB-CD2 3.64Å; N112-F115 HydrophobicContact CB-CE2 4.37Å; N112-F115 HydrophobicContact CB-CG 4.23Å; N112-F115 VanDerWaalsContact CG-CD2 3.42Å; N112-F115 WeakPolarHBondContact ND2-CD2 3.44Å; N112-F115 WeakPolarHBondContact ND2-CE2 3.46Å; N112-F115 PolarHBondContact O-N 3.29Å; N112-F115 PolarHBondContact OD1-N 3.34Å; N112-L116 WeakPolarHBondContact O-CG 3.4Å; N112-L116 PolarHBondContact O-N 3.37Å
113E92.5Very high91.8Very high40 Ų4051 Ų5119%0.18726%0.263CS..Hα-helixtrans-57.3-39.3-178.6-175.8-178.1161.500112.6N111 S117 L139 L142 R143 Q146 Y149N111-E113 PolarHBondContact O-N 2.92Å; E113-S117 VanDerWaalsContact O-CB 3.23Å; E113-S117 WeakPolarHBondContact O-CB 3.37Å; E113-S117 PolarHBondContact O-N 2.99Å; E113-S117 PolarHBondContact O-OG 3.42Å; E113-L139 HydrophobicContact CG-CD2 4.09Å; E113-L142 HydrophobicContact CB-CD2 3.97Å; E113-R143 HydrophobicContact CG-CG 4.46Å; E113-R143 WeakPolarHBondContact OE2-CG 3.34Å; E113-R143 IonicContact OE2-CZ 2.91Å; E113-R143 IonicContact OE2-NE 3.09Å; E113-R143 PolarHBondContact OE2-NE 3.33Å; E113-R143 IonicContact OE2-NH2 3.71Å; E113-R143 PolarHBondContact OE2-NH2 3.47Å; E113-R143 VanDerWaalsContact OE2-NH2 3.08Å; E113-Q146 PolarHBondContact OE1-OE1 3.49Å; E113-Y149 WeakPolarHBondContact CG-OH 3.35Å; E113-Y149 PolarHBondContact OE1-OH 3.38Å
114D91.5Very high91.8Very high108 Ų10848.9 Ų48.958%0.57826%0.259SS*.Hα-helixtrans-66.2-47-178.8-64.8-42.9000110.6N112 S117 Q118N112-D114 VanDerWaalsContact C-N 3.29Å; N112-D114 PolarHBondContact O-N 3.34Å; N112-D114 WeakPolarHBondContact OD1-CB 3.23Å; N112-D114 PolarHBondContact OD1-N 2.91Å; D114-S117 PolarHBondContact O-N 3.48Å; D114-Q118 WeakPolarHBondContact O-CG 3.15Å; D114-Q118 PolarHBondContact O-N 2.93Å
115F92.7Very high91.8Very high11 Ų1151.2 Ų51.25%0.04827%0.266CS..Hα-helixtrans-67.4-39.2179.9-63.1-30.3000112.8I82 Y102 V105 Q109 N112 Q118 L119I82-F115 HydrophobicContact CD1-CE1 3.92Å; I82-F115 HydrophobicContact CD1-CE2 4.49Å; I82-F115 HydrophobicContact CD1-CZ 3.67Å; I82-F115 HydrophobicContact CG2-CE1 4.34Å; Y102-F115 HydrophobicContact CD1-CD1 4.43Å; Y102-F115 HydrophobicContact CE1-CD1 4.18Å; V105-F115 HydrophobicContact CG1-CB 4.3Å; V105-F115 HydrophobicContact CG1-CD1 3.85Å; V105-F115 HydrophobicContact CG1-CD2 3.25Å; V105-F115 HydrophobicContact CG1-CE1 3.87Å; V105-F115 HydrophobicContact CG1-CE2 3.25Å; V105-F115 HydrophobicContact CG1-CG 3.55Å; V105-F115 HydrophobicContact CG1-CZ 3.58Å; Q109-F115 HydrophobicContact CB-CD2 4.15Å; Q109-F115 HydrophobicContact CB-CE2 4.37Å; Q109-F115 HydrophobicContact CG-CE2 4.46Å; N112-F115 HydrophobicContact CB-CB 4.3Å; N112-F115 HydrophobicContact CB-CD2 3.64Å; N112-F115 HydrophobicContact CB-CE2 4.37Å; N112-F115 HydrophobicContact CB-CG 4.23Å; N112-F115 VanDerWaalsContact CG-CD2 3.42Å; N112-F115 WeakPolarHBondContact ND2-CD2 3.44Å; N112-F115 WeakPolarHBondContact ND2-CE2 3.46Å; N112-F115 PolarHBondContact O-N 3.29Å; N112-F115 PolarHBondContact OD1-N 3.34Å; F115-Q118 PolarHBondContact O-N 2.7Å; F115-L119 WeakPolarHBondContact O-CB 3.49Å; F115-L119 PolarHBondContact O-N 2.92Å
116L93.9Very high92Very high3 Ų353.4 Ų53.42%0.01628%0.277CS..Hα-helixtrans-65.9-39.5173.7-72177.8000111.7P110 N112 L119 A120 T135 Q138 L139 L142P110-L116 WeakPolarHBondContact O-CD1 3.33Å; N112-L116 WeakPolarHBondContact O-CG 3.4Å; N112-L116 PolarHBondContact O-N 3.37Å; L116-L119 WeakPolarHBondContact O-CB 3.46Å; L116-L119 PolarHBondContact O-N 2.92Å; L116-A120 PolarHBondContact O-N 2.86Å; L116-T135 HydrophobicContact CB-CG2 4.48Å; L116-T135 HydrophobicContact CD2-CG2 4.3Å; L116-T135 WeakPolarHBondContact O-CG2 3.28Å; L116-Q138 HydrophobicContact CD1-CG 3.93Å; L116-L139 HydrophobicContact CB-CD1 4.3Å; L116-L139 HydrophobicContact CB-CD2 3.48Å; L116-L139 VanDerWaalsContact CB-CD2 3.48Å; L116-L139 HydrophobicContact CB-CG 3.78Å; L116-L139 HydrophobicContact CD1-CD2 4.19Å; L116-L139 HydrophobicContact CD1-CG 4.46Å; L116-L142 HydrophobicContact CD1-CD2 4.46Å
117S93.7Very high92Very high13 Ų1354.3 Ų54.39%0.09129%0.288CS..Hα-helixtrans-62.9-45.2176.6-63.60000111E113 D114 L119 A120 I121 Y149E113-S117 VanDerWaalsContact O-CB 3.23Å; E113-S117 WeakPolarHBondContact O-CB 3.37Å; E113-S117 PolarHBondContact O-N 2.99Å; E113-S117 PolarHBondContact O-OG 3.42Å; D114-S117 PolarHBondContact O-N 3.48Å; S117-L119 VanDerWaalsContact C-N 3.34Å; S117-L119 PolarHBondContact O-N 3.42Å; S117-A120 PolarHBondContact O-N 3.42Å; S117-I121 VanDerWaalsContact O-CG1 3.28Å; S117-I121 WeakPolarHBondContact O-CG1 3.49Å; S117-I121 PolarHBondContact O-N 3.28Å; S117-Y149 PolarHBondContact OG-OH 3.11Å
118Q93.8Very high92.2Very high73 Ų7350.7 Ų50.734%0.34127%0.274SS..Hα-helixtrans-66.7-34.5176.1-66.1-58.4-3800112.7Y102 D114 F115 S122Y102-Q118 HydrophobicContact CD1-CB 3.61Å; Y102-Q118 HydrophobicContact CD2-CB 3.92Å; Y102-Q118 HydrophobicContact CE1-CB 3.28Å; Y102-Q118 HydrophobicContact CE1-CG 3.77Å; Y102-Q118 HydrophobicContact CE2-CB 3.63Å; Y102-Q118 HydrophobicContact CE2-CG 4.37Å; Y102-Q118 HydrophobicContact CG-CB 3.93Å; D114-Q118 WeakPolarHBondContact O-CG 3.15Å; D114-Q118 PolarHBondContact O-N 2.93Å; F115-Q118 PolarHBondContact O-N 2.7Å; Q118-S122 WeakPolarHBondContact O-CB 3.33Å; Q118-S122 PolarHBondContact O-N 2.97Å; Q118-S122 PolarHBondContact O-OG 2.99Å
119L95.2Very high92.4Very high10 Ų1049.8 Ų49.85%0.05226%0.257CS..Hα-helixtrans-62.8-47.5172.9-17856.2000111.4V99 Q103 F115 L116 S117 I121 S122 Y123 T135V99-L119 HydrophobicContact CG1-CD1 4.39Å; Q103-L119 HydrophobicContact CG-CD1 3.81Å; F115-L119 WeakPolarHBondContact O-CB 3.49Å; F115-L119 PolarHBondContact O-N 2.92Å; L116-L119 WeakPolarHBondContact O-CB 3.46Å; L116-L119 PolarHBondContact O-N 2.92Å; S117-L119 VanDerWaalsContact C-N 3.34Å; S117-L119 PolarHBondContact O-N 3.42Å; L119-I121 PolarHBondContact O-N 3.4Å; L119-S122 PolarHBondContact O-N 3.32Å; L119-Y123 HydrophobicContact CD1-CD2 3.96Å; L119-Y123 HydrophobicContact CD1-CE2 3.5Å; L119-Y123 HydrophobicContact CD2-CE2 4Å; L119-Y123 HydrophobicContact CG-CD2 3.87Å; L119-Y123 HydrophobicContact CG-CE2 3.5Å; L119-Y123 VanDerWaalsContact O-CD2 3.3Å; L119-Y123 WeakPolarHBondContact O-CD2 3.21Å; L119-Y123 PolarHBondContact O-N 3.43Å; L119-T135 HydrophobicContact CB-CG2 4.28Å; L119-T135 HydrophobicContact CD2-CG2 4.23Å; L119-T135 HydrophobicContact CG-CG2 4.25Å
120A94.1Very high92.6Very high0 Ų051.7 Ų51.70%027%0.265CS..Hα-helixtrans-60.8-44.8177.500000111.8L116 S117 S122 Y123 G124 Q132 T135 L139 W152L116-A120 PolarHBondContact O-N 2.86Å; S117-A120 PolarHBondContact O-N 3.42Å; A120-S122 VanDerWaalsContact C-N 3.3Å; A120-S122 PolarHBondContact O-N 3.36Å; A120-Y123 PolarHBondContact O-N 3.29Å; A120-G124 PolarHBondContact O-N 2.93Å; A120-Q132 HydrophobicContact CB-CG 4.38Å; A120-Q132 WeakPolarHBondContact O-CG 3.35Å; A120-T135 HydrophobicContact CB-CG2 3.92Å; A120-L139 HydrophobicContact CB-CD1 4.29Å; A120-W152 HydrophobicContact CB-CE3 4.36Å; A120-W152 HydrophobicContact CB-CZ3 4.2Å
121I92.6Very high92.8Very high57 Ų5752 Ų5229%0.29226%0.261SS..Hα-helixtrans-61.1-41.2175.4-68164.7000110.8S117 L119 G124 R125 W152S117-I121 VanDerWaalsContact O-CG1 3.28Å; S117-I121 WeakPolarHBondContact O-CG1 3.49Å; S117-I121 PolarHBondContact O-N 3.28Å; L119-I121 PolarHBondContact O-N 3.4Å; I121-G124 PolarHBondContact O-N 3.48Å; I121-R125 WeakPolarHBondContact O-CG 3.46Å; I121-R125 PolarHBondContact O-N 3.02Å; I121-R125 VanDerWaalsContact O-N 3.1Å; I121-W152 HydrophobicContact CD1-CH2 4.36Å; I121-W152 HydrophobicContact CG1-CH2 4.17Å
122S93.5Very high93Very high3 Ų347.4 Ų47.42%0.02124%0.236CC..Hα-helixtrans-65.4-41.3179-57.50000111.7Q118 L119 A120 G124 R125 I126Q118-S122 WeakPolarHBondContact O-CB 3.33Å; Q118-S122 PolarHBondContact O-N 2.97Å; Q118-S122 PolarHBondContact O-OG 2.99Å; L119-S122 PolarHBondContact O-N 3.32Å; A120-S122 VanDerWaalsContact C-N 3.3Å; A120-S122 PolarHBondContact O-N 3.36Å; S122-G124 PolarHBondContact O-N 2.92Å; S122-R125 PolarHBondContact O-N 3.3Å; S122-I126 PolarHBondContact O-N 3.09Å
123Y95.3Very high93Very high12 Ų1246.2 Ų46.25%0.04723%0.23CC..Hα-helixtrans-60.8-42.6172.7-78-53.9000112.7V99 Q103 L119 A120 R125 I126 G127 E128 M131V99-Y123 HydrophobicContact CG1-CD1 3.94Å; V99-Y123 HydrophobicContact CG1-CE1 3.48Å; V99-Y123 VanDerWaalsContact CG1-CE1 3.48Å; V99-Y123 HydrophobicContact CG2-CD1 4.16Å; Q103-Y123 PolarHBondContact NE2-OH 3.06Å; L119-Y123 HydrophobicContact CD1-CD2 3.96Å; L119-Y123 HydrophobicContact CD1-CE2 3.5Å; L119-Y123 HydrophobicContact CD2-CE2 4Å; L119-Y123 HydrophobicContact CG-CD2 3.87Å; L119-Y123 HydrophobicContact CG-CE2 3.5Å; L119-Y123 VanDerWaalsContact O-CD2 3.3Å; L119-Y123 WeakPolarHBondContact O-CD2 3.21Å; L119-Y123 PolarHBondContact O-N 3.43Å; A120-Y123 PolarHBondContact O-N 3.29Å; Y123-R125 VanDerWaalsContact C-N 3.26Å; Y123-R125 PolarHBondContact O-N 3.39Å; Y123-I126 HydrophobicContact CD1-CD1 4.27Å; Y123-I126 VanDerWaalsContact O-CG1 3.27Å; Y123-I126 WeakPolarHBondContact O-CG1 3.37Å; Y123-I126 PolarHBondContact O-N 3.11Å; Y123-G127 PolarHBondContact O-N 3.3Å; Y123-E128 HydrophobicContact CD1-CB 3.81Å; Y123-E128 PolarHBondContact O-N 3.16Å; Y123-M131 HydrophobicContact CD1-CB 3.64Å; Y123-M131 HydrophobicContact CD1-CG 4.45Å; Y123-M131 HydrophobicContact CD2-CB 3.87Å; Y123-M131 HydrophobicContact CE1-CB 3.5Å; Y123-M131 HydrophobicContact CE1-CG 3.98Å; Y123-M131 HydrophobicContact CE2-CB 3.74Å; Y123-M131 HydrophobicContact CG-CB 3.82Å; Y123-M131 VanDerWaalsContact OH-CE 3.25Å; Y123-M131 WeakPolarHBondContact OH-CE 3.36Å
124G92.5Very high93Very high21 Ų2149.2 Ų49.222%0.21625%0.247CC..Hα-helixtrans-61.5-33.8176.400000113.1A120 I121 S122 I126 G127A120-G124 PolarHBondContact O-N 2.93Å; I121-G124 PolarHBondContact O-N 3.48Å; S122-G124 PolarHBondContact O-N 2.92Å; G124-I126 VanDerWaalsContact C-N 3.35Å; G124-I126 PolarHBondContact O-N 3.18Å; G124-G127 PolarHBondContact O-N 3.1Å
125R91.4Very high93.1Very high125 Ų12544.4 Ų44.447%0.47222%0.221SC..Hα-helixtrans-69.5-28.6177.4-73.7-178.5178.5-175.71.6114.1P95 I121 S122 Y123P95-R125 HydrophobicContact CB-CB 4.01Å; I121-R125 WeakPolarHBondContact O-CG 3.46Å; I121-R125 PolarHBondContact O-N 3.02Å; I121-R125 VanDerWaalsContact O-N 3.1Å; S122-R125 PolarHBondContact O-N 3.3Å; Y123-R125 VanDerWaalsContact C-N 3.26Å; Y123-R125 PolarHBondContact O-N 3.39Å
126I93.2Very high93.2Very high54 Ų5443.9 Ų43.928%0.27722%0.219SC..THydrogen-bonded Turntrans-94.91.7176.764.3165.1000113P95 E96 V99 S122 Y123 G124 E128P95-I126 HydrophobicContact CB-CG2 3.65Å; P95-I126 HydrophobicContact CG-CG2 3.74Å; E96-I126 HydrophobicContact CG-CG2 4.18Å; V99-I126 HydrophobicContact CG2-CD1 3.76Å; V99-I126 HydrophobicContact CG2-CG1 4.2Å; V99-I126 HydrophobicContact CG2-CG2 4.49Å; S122-I126 PolarHBondContact O-N 3.09Å; Y123-I126 HydrophobicContact CD1-CD1 4.27Å; Y123-I126 VanDerWaalsContact O-CG1 3.27Å; Y123-I126 WeakPolarHBondContact O-CG1 3.37Å; Y123-I126 PolarHBondContact O-N 3.11Å; G124-I126 VanDerWaalsContact C-N 3.35Å; G124-I126 PolarHBondContact O-N 3.18Å; I126-E128 VanDerWaalsContact C-N 3.3Å; I126-E128 HydrophobicContact CD1-CB 3.91Å; I126-E128 HydrophobicContact CD1-CG 3.39Å; I126-E128 HydrophobicContact CG1-CB 3.86Å; I126-E128 HydrophobicContact CG1-CG 3.7Å; I126-E128 PolarHBondContact O-N 3.44Å
127G91.5Very high93.1Very high33 Ų3346.3 Ų46.334%0.3423%0.231SC..THydrogen-bonded Turntrans76.411.4-178.600000114.9Y123 G124 Y129Y123-G127 PolarHBondContact O-N 3.3Å; G124-G127 PolarHBondContact O-N 3.1Å; G127-Y129 VanDerWaalsContact O-CD2 3.32Å; G127-Y129 WeakPolarHBondContact O-CD2 3.46Å; G127-Y129 PolarHBondContact O-N 3.13Å
128E93.1Very high93Very high96 Ų9649.4 Ų49.445%0.44924%0.244SC..  trans-81.362.4178.9-76.1-66.7174.100111.5Y123 I126 K130 M131 Q132Y123-E128 HydrophobicContact CD1-CB 3.81Å; Y123-E128 PolarHBondContact O-N 3.16Å; I126-E128 VanDerWaalsContact C-N 3.3Å; I126-E128 HydrophobicContact CD1-CB 3.91Å; I126-E128 HydrophobicContact CD1-CG 3.39Å; I126-E128 HydrophobicContact CG1-CB 3.86Å; I126-E128 HydrophobicContact CG1-CG 3.7Å; I126-E128 PolarHBondContact O-N 3.44Å; E128-K130 PolarHBondContact O-N 3.21Å; E128-M131 HydrophobicContact CB-CB 4.48Å; E128-M131 PolarHBondContact O-N 3.34Å; E128-M131 VanDerWaalsContact O-N 3.13Å; E128-Q132 PolarHBondContact O-N 3.37Å
129Y92.2Very high93Very high68 Ų6846 Ų4627%0.26723%0.228SC..Hα-helixtrans-61.4-29.9-172.9-58.7-53.7000113.4G127 Q132 S133 C156 L159G127-Y129 VanDerWaalsContact O-CD2 3.32Å; G127-Y129 WeakPolarHBondContact O-CD2 3.46Å; G127-Y129 PolarHBondContact O-N 3.13Å; Y129-Q132 PolarHBondContact O-N 3.22Å; Y129-S133 WeakPolarHBondContact O-CB 3.3Å; Y129-S133 PolarHBondContact O-N 3.34Å; Y129-C156 WeakPolarHBondContact O-CB 3.37Å; Y129-L159 HydrophobicContact CD1-CB 4.18Å; Y129-L159 HydrophobicContact CD1-CD1 3.82Å; Y129-L159 HydrophobicContact CD2-CB 3.86Å; Y129-L159 HydrophobicContact CE1-CB 4.31Å; Y129-L159 HydrophobicContact CE1-CD1 3.58Å; Y129-L159 HydrophobicContact CE1-CG 4.49Å; Y129-L159 HydrophobicContact CE2-CB 3.99Å; Y129-L159 HydrophobicContact CG-CB 3.95Å; Y129-L159 HydrophobicContact CG-CD1 4.45Å
130K91Very high92.9Very high133 Ų13349.1 Ų49.158%0.57824%0.24SC*.Hα-helixtrans-60.4-50.9174.5-175.9176.8178.9177.90111.2E128 S133 L134E128-K130 PolarHBondContact O-N 3.21Å; K130-S133 PolarHBondContact O-N 3.49Å; K130-L134 WeakPolarHBondContact O-CG 3.46Å; K130-L134 PolarHBondContact O-N 3.42Å; K130-L134 VanDerWaalsContact O-N 3.14Å
131M93.6Very high92.8Very high70 Ų7056.9 Ų56.935%0.34527%0.274SS..Hα-helixtrans-70.8-35.7-179.7-66.1-58.3-69.800111.7Y123 E128 L134 T135Y123-M131 HydrophobicContact CD1-CB 3.64Å; Y123-M131 HydrophobicContact CD1-CG 4.45Å; Y123-M131 HydrophobicContact CD2-CB 3.87Å; Y123-M131 HydrophobicContact CE1-CB 3.5Å; Y123-M131 HydrophobicContact CE1-CG 3.98Å; Y123-M131 HydrophobicContact CE2-CB 3.74Å; Y123-M131 HydrophobicContact CG-CB 3.82Å; Y123-M131 VanDerWaalsContact OH-CE 3.25Å; Y123-M131 WeakPolarHBondContact OH-CE 3.36Å; E128-M131 HydrophobicContact CB-CB 4.48Å; E128-M131 PolarHBondContact O-N 3.34Å; E128-M131 VanDerWaalsContact O-N 3.13Å; M131-L134 PolarHBondContact O-N 3.49Å; M131-L134 HydrophobicContact SD-CD1 4.13Å; M131-T135 WeakPolarHBondContact O-CB 3.46Å; M131-T135 PolarHBondContact O-N 3.07Å; M131-T135 PolarHBondContact O-OG1 3.48Å
132Q94Very high92.8Very high28 Ų2857 Ų5713%0.13128%0.275CS..Hα-helixtrans-58.9-46.3171.6-172.9179.39.400111.3A120 E128 Y129 L134 T135 A136 C156A120-Q132 HydrophobicContact CB-CG 4.38Å; A120-Q132 WeakPolarHBondContact O-CG 3.35Å; E128-Q132 PolarHBondContact O-N 3.37Å; Y129-Q132 PolarHBondContact O-N 3.22Å; Q132-L134 PolarHBondContact O-N 3.23Å; Q132-T135 PolarHBondContact O-N 3.4Å; Q132-A136 VanDerWaalsContact O-CB 3.3Å; Q132-A136 WeakPolarHBondContact O-CB 3.09Å; Q132-A136 PolarHBondContact O-N 3.29Å; Q132-C156 WeakPolarHBondContact CG-SG 3.24Å; Q132-C156 PolarHBondContact OE1-SG 3.02Å; Q132-C156 VanDerWaalsContact OE1-SG 3.34Å
133S92.1Very high92.6Very high13 Ų1363.1 Ų63.19%0.09130%0.297CS..Hα-helixtrans-60.6-45.2178.5-169.80000112.1Y129 K130 T135 A136 M137 S153Y129-S133 WeakPolarHBondContact O-CB 3.3Å; Y129-S133 PolarHBondContact O-N 3.34Å; K130-S133 PolarHBondContact O-N 3.49Å; S133-T135 PolarHBondContact O-N 3.03Å; S133-A136 PolarHBondContact O-N 3.15Å; S133-M137 WeakPolarHBondContact O-CG 3.45Å; S133-M137 PolarHBondContact O-N 3.01Å; S133-S153 PolarHBondContact OG-O 3.41Å; S133-S153 PolarHBondContact OG-OG 3.38Å
134L92.8Very high92.3Very high102 Ų10266.4 Ų66.453%0.53432%0.32SS..Hα-helixtrans-61.8-43176.5-68.4174.8000112.1K130 M131 Q132 M137 Q138K130-L134 WeakPolarHBondContact O-CG 3.46Å; K130-L134 PolarHBondContact O-N 3.42Å; K130-L134 VanDerWaalsContact O-N 3.14Å; M131-L134 PolarHBondContact O-N 3.49Å; M131-L134 HydrophobicContact SD-CD1 4.13Å; Q132-L134 PolarHBondContact O-N 3.23Å; L134-M137 PolarHBondContact O-N 3.47Å; L134-Q138 PolarHBondContact O-N 3.31Å
135T93.7Very high92.1Very high7 Ų775.3 Ų75.34%0.04335%0.353CS..Hα-helixtrans-67.3-40.2178.4-500000111.1L116 L119 A120 M131 Q132 S133 M137 Q138 L139L116-T135 HydrophobicContact CB-CG2 4.48Å; L116-T135 HydrophobicContact CD2-CG2 4.3Å; L116-T135 WeakPolarHBondContact O-CG2 3.28Å; L119-T135 HydrophobicContact CB-CG2 4.28Å; L119-T135 HydrophobicContact CD2-CG2 4.23Å; L119-T135 HydrophobicContact CG-CG2 4.25Å; A120-T135 HydrophobicContact CB-CG2 3.92Å; M131-T135 WeakPolarHBondContact O-CB 3.46Å; M131-T135 PolarHBondContact O-N 3.07Å; M131-T135 PolarHBondContact O-OG1 3.48Å; Q132-T135 PolarHBondContact O-N 3.4Å; S133-T135 PolarHBondContact O-N 3.03Å; T135-M137 VanDerWaalsContact C-N 3.32Å; T135-M137 PolarHBondContact O-N 2.87Å; T135-Q138 WeakPolarHBondContact O-CB 3.28Å; T135-Q138 PolarHBondContact O-N 2.95Å; T135-Q138 VanDerWaalsContact O-N 3.16Å; T135-L139 PolarHBondContact O-N 3.06Å
136A93.1Very high91.9Very high0 Ų072.4 Ų72.40%035%0.345CS..Hα-helixtrans-62.4-38.3174.800000112Q132 S133 L139 Y140 W152Q132-A136 VanDerWaalsContact O-CB 3.3Å; Q132-A136 WeakPolarHBondContact O-CB 3.09Å; Q132-A136 PolarHBondContact O-N 3.29Å; S133-A136 PolarHBondContact O-N 3.15Å; A136-L139 WeakPolarHBondContact O-CB 3.46Å; A136-L139 PolarHBondContact O-N 3.16Å; A136-Y140 PolarHBondContact O-N 3.49Å; A136-W152 HydrophobicContact CB-CB 3.91Å
137M92.1Very high91.6Very high54 Ų5474.4 Ų74.427%0.26636%0.361SS..Hα-helixtrans-67.9-33.8173.2-74.4-57.4-71.200113.3S133 L134 T135 Y140 K141 S153 M179S133-M137 WeakPolarHBondContact O-CG 3.45Å; S133-M137 PolarHBondContact O-N 3.01Å; L134-M137 PolarHBondContact O-N 3.47Å; T135-M137 VanDerWaalsContact C-N 3.32Å; T135-M137 PolarHBondContact O-N 2.87Å; M137-Y140 HydrophobicContact CE-CD1 4.41Å; M137-Y140 PolarHBondContact O-N 3.13Å; M137-K141 WeakPolarHBondContact O-CG 3.34Å; M137-K141 PolarHBondContact O-N 3.07Å; M137-S153 WeakPolarHBondContact CG-OG 3.4Å; M137-M179 HydrophobicContact CE-CE 3.83Å; M137-M179 HydrophobicContact CG-CE 4.03Å; M137-M179 HydrophobicContact SD-CE 3.24Å; M137-M179 WeakPolarHBondContact SD-CE 3.46Å
138Q93.2Very high91.6Very high79 Ų7976.6 Ų76.637%0.36936%0.364SS..Hα-helixtrans-64.9-43.8171.6-175.1177.5-800111.3P110 L116 L134 T135 K141 L142P110-Q138 PolarHBondContact O-NE2 3.41Å; L116-Q138 HydrophobicContact CD1-CG 3.93Å; L134-Q138 PolarHBondContact O-N 3.31Å; T135-Q138 WeakPolarHBondContact O-CB 3.28Å; T135-Q138 PolarHBondContact O-N 2.95Å; T135-Q138 VanDerWaalsContact O-N 3.16Å; Q138-K141 PolarHBondContact O-N 3.14Å; Q138-L142 PolarHBondContact O-N 3.21Å
139L93.1Very high91.5Very high0 Ų072.4 Ų72.40%034%0.344CS..Hα-helixtrans-60-44.1173.7-77.5163.9000112.1E113 L116 A120 T135 A136 K141 L142 R143 Y149 W152E113-L139 HydrophobicContact CG-CD2 4.09Å; L116-L139 HydrophobicContact CB-CD1 4.3Å; L116-L139 HydrophobicContact CB-CD2 3.48Å; L116-L139 VanDerWaalsContact CB-CD2 3.48Å; L116-L139 HydrophobicContact CB-CG 3.78Å; L116-L139 HydrophobicContact CD1-CD2 4.19Å; L116-L139 HydrophobicContact CD1-CG 4.46Å; A120-L139 HydrophobicContact CB-CD1 4.29Å; T135-L139 PolarHBondContact O-N 3.06Å; A136-L139 WeakPolarHBondContact O-CB 3.46Å; A136-L139 PolarHBondContact O-N 3.16Å; L139-K141 VanDerWaalsContact C-N 3.35Å; L139-K141 PolarHBondContact O-N 3.16Å; L139-L142 WeakPolarHBondContact O-CB 3.48Å; L139-L142 PolarHBondContact O-N 3.38Å; L139-L142 VanDerWaalsContact O-N 3.15Å; L139-R143 PolarHBondContact O-N 3.33Å; L139-Y149 HydrophobicContact CB-CD1 3.8Å; L139-Y149 HydrophobicContact CB-CD2 3.72Å; L139-Y149 HydrophobicContact CB-CE1 4.15Å; L139-Y149 HydrophobicContact CB-CE2 4.06Å; L139-Y149 HydrophobicContact CB-CG 3.57Å; L139-Y149 HydrophobicContact CD1-CD1 3.83Å; L139-Y149 HydrophobicContact CD1-CE1 3.82Å; L139-Y149 HydrophobicContact CD1-CG 4.47Å; L139-Y149 HydrophobicContact CD2-CE1 4.23Å; L139-Y149 HydrophobicContact CD2-CE2 4.3Å; L139-Y149 HydrophobicContact CG-CD1 4.32Å; L139-Y149 HydrophobicContact CG-CE1 4.3Å; L139-W152 HydrophobicContact CD1-CZ3 4.35Å
140Y92.4Very high91.4Very high76 Ų7671.6 Ų71.630%0.29834%0.341SS..Hα-helixtrans-62.5-40.3176.4178.7-115.8000112.3A136 M137 L142 R143 P144 Y150A136-Y140 PolarHBondContact O-N 3.49Å; M137-Y140 HydrophobicContact CE-CD1 4.41Å; M137-Y140 PolarHBondContact O-N 3.13Å; Y140-L142 VanDerWaalsContact C-N 3.3Å; Y140-L142 PolarHBondContact O-N 2.95Å; Y140-R143 CarbonylContact O-C 3.15Å; Y140-R143 PolarHBondContact O-N 3.45Å; Y140-P144 HydrophobicContact CE2-CB 4.46Å; Y140-P144 WeakPolarHBondContact CE2-O 3.45Å; Y140-P144 WeakPolarHBondContact O-CA 3.3Å; Y140-P144 WeakPolarHBondContact O-CD 3.24Å; Y140-P144 WeakPolarHBondContact O-CG 3.45Å; Y140-Y150 HydrophobicContact CD1-CD2 4.31Å; Y140-Y150 HydrophobicContact CE1-CD2 4.16Å; Y140-Y150 HydrophobicContact CE2-CG 4.46Å
141K92Very high91.4Very high164 Ų16470.7 Ų70.771%0.71334%0.338SS*.Hα-helixtrans-62.7-36.4173.6-74.1174.9-178.8-179.80112.5M137 Q138 L139M137-K141 WeakPolarHBondContact O-CG 3.34Å; M137-K141 PolarHBondContact O-N 3.07Å; Q138-K141 PolarHBondContact O-N 3.14Å; L139-K141 VanDerWaalsContact C-N 3.35Å; L139-K141 PolarHBondContact O-N 3.16Å
142L92.2Very high91.2Very high59 Ų5970.1 Ų70.131%0.30933%0.332SS..Hα-helixtrans-71.9-38.6176.6-174.267.4000111.9N111 E113 L116 Q138 L139 Y140N111-L142 HydrophobicContact CB-CD1 4.12Å; N111-L142 VanDerWaalsContact O-CD2 3.31Å; N111-L142 WeakPolarHBondContact O-CD2 3.19Å; E113-L142 HydrophobicContact CB-CD2 3.97Å; L116-L142 HydrophobicContact CD1-CD2 4.46Å; Q138-L142 PolarHBondContact O-N 3.21Å; L139-L142 WeakPolarHBondContact O-CB 3.48Å; L139-L142 PolarHBondContact O-N 3.38Å; L139-L142 VanDerWaalsContact O-N 3.15Å; Y140-L142 VanDerWaalsContact C-N 3.3Å; Y140-L142 PolarHBondContact O-N 2.95Å
143R90.7Very high90.9Very high132 Ų13268.9 Ų68.950%0.49833%0.326SS..  trans-130.475-179.6-62.8-60.9-165.4177.25.6112.2E113 L139 Y140 K145 Q146 Y149E113-R143 HydrophobicContact CG-CG 4.46Å; E113-R143 WeakPolarHBondContact OE2-CG 3.34Å; E113-R143 IonicContact OE2-CZ 2.91Å; E113-R143 IonicContact OE2-NE 3.09Å; E113-R143 PolarHBondContact OE2-NE 3.33Å; E113-R143 IonicContact OE2-NH2 3.71Å; E113-R143 PolarHBondContact OE2-NH2 3.47Å; E113-R143 VanDerWaalsContact OE2-NH2 3.08Å; L139-R143 PolarHBondContact O-N 3.33Å; Y140-R143 CarbonylContact O-C 3.15Å; Y140-R143 PolarHBondContact O-N 3.45Å; R143-K145 PolarHBondContact O-N 2.77Å; R143-Q146 HydrophobicContact CB-CB 4.19Å; R143-Q146 PolarHBondContact O-N 3.27Å; R143-Y149 HydrophobicContact CB-CD2 4.29Å; R143-Y149 HydrophobicContact CB-CE2 4.06Å; R143-Y149 HydrophobicContact CG-CE2 4.41Å
144P88.8Confident90.8Very high80 Ų8069.6 Ų69.652%0.51933%0.33SS..THydrogen-bonded Turntrans-63.1-21.5-177.8-24.134.2000114Y140 Q146Y140-P144 HydrophobicContact CE2-CB 4.46Å; Y140-P144 WeakPolarHBondContact CE2-O 3.45Å; Y140-P144 WeakPolarHBondContact O-CA 3.3Å; Y140-P144 WeakPolarHBondContact O-CD 3.24Å; Y140-P144 WeakPolarHBondContact O-CG 3.45Å; P144-Q146 PolarHBondContact O-N 2.83Å
145K88.4Confident90.7Very high208 Ų20868.2 Ų68.290%0.90432%0.321SS*.THydrogen-bonded Turntrans-76.9-7.6178.2-66.1-173.6177.5-1770113.8R143 P147R143-K145 PolarHBondContact O-N 2.77Å; K145-P147 WeakPolarHBondContact O-CD 2.9Å
146Q87Confident90.6Very high65 Ų6568 Ų6830%0.30432%0.32SS..  trans-104.693.8-178.2-169.9165.81.800109.8E113 R143 P144 L148 Y149E113-Q146 PolarHBondContact OE1-OE1 3.49Å; R143-Q146 HydrophobicContact CB-CB 4.19Å; R143-Q146 PolarHBondContact O-N 3.27Å; P144-Q146 PolarHBondContact O-N 2.83Å; Q146-L148 HydrophobicContact CG-CB 4.2Å; Q146-L148 PolarHBondContact O-N 2.97Å; Q146-Y149 HydrophobicContact CB-CD2 4Å; Q146-Y149 HydrophobicContact CB-CE2 4.1Å; Q146-Y149 HydrophobicContact CG-CD2 4.04Å; Q146-Y149 HydrophobicContact CG-CE2 3.94Å; Q146-Y149 PolarHBondContact O-N 2.8Å
147P86.6Confident90.3Very high95 Ų9568.2 Ų68.262%0.61732%0.321SS*.Hα-helixtrans-64.8-16.2-174.527-35.8000113K145 Y149 Y150 F151K145-P147 WeakPolarHBondContact O-CD 2.9Å; P147-Y149 VanDerWaalsContact C-N 3.32Å; P147-Y149 PolarHBondContact O-N 3.17Å; P147-Y150 WeakPolarHBondContact O-CB 3.08Å; P147-Y150 PolarHBondContact O-N 3.32Å; P147-F151 PolarHBondContact O-N 2.56Å
148L91.7Very high90.1Very high79 Ų7968.4 Ų68.441%0.41433%0.325SS..Hα-helixtrans-57.9-41.5178.5-176.764.7000112.7Q146 Y150 F151 W152Q146-L148 HydrophobicContact CG-CB 4.2Å; Q146-L148 PolarHBondContact O-N 2.97Å; L148-Y150 VanDerWaalsContact C-N 3.34Å; L148-F151 WeakPolarHBondContact O-CB 3.42Å; L148-F151 PolarHBondContact O-N 3.16Å; L148-W152 HydrophobicContact CD2-CZ2 4.15Å; L148-W152 HydrophobicContact CG-CZ2 4.35Å; L148-W152 VanDerWaalsContact O-CD1 3.3Å; L148-W152 PolarHBondContact O-N 3.13Å
149Y91.1Very high90Very high8 Ų867.6 Ų67.63%0.03132%0.323CS..Hα-helixtrans-69.7-36.3-179.3-60.7-44.4000112.4E113 S117 L139 R143 Q146 P147 W152 S153E113-Y149 WeakPolarHBondContact CG-OH 3.35Å; E113-Y149 PolarHBondContact OE1-OH 3.38Å; S117-Y149 PolarHBondContact OG-OH 3.11Å; L139-Y149 HydrophobicContact CB-CD1 3.8Å; L139-Y149 HydrophobicContact CB-CD2 3.72Å; L139-Y149 HydrophobicContact CB-CE1 4.15Å; L139-Y149 HydrophobicContact CB-CE2 4.06Å; L139-Y149 HydrophobicContact CB-CG 3.57Å; L139-Y149 HydrophobicContact CD1-CD1 3.83Å; L139-Y149 HydrophobicContact CD1-CE1 3.82Å; L139-Y149 HydrophobicContact CD1-CG 4.47Å; L139-Y149 HydrophobicContact CD2-CE1 4.23Å; L139-Y149 HydrophobicContact CD2-CE2 4.3Å; L139-Y149 HydrophobicContact CG-CD1 4.32Å; L139-Y149 HydrophobicContact CG-CE1 4.3Å; R143-Y149 HydrophobicContact CB-CD2 4.29Å; R143-Y149 HydrophobicContact CB-CE2 4.06Å; R143-Y149 HydrophobicContact CG-CE2 4.41Å; Q146-Y149 HydrophobicContact CB-CD2 4Å; Q146-Y149 HydrophobicContact CB-CE2 4.1Å; Q146-Y149 HydrophobicContact CG-CD2 4.04Å; Q146-Y149 HydrophobicContact CG-CE2 3.94Å; Q146-Y149 PolarHBondContact O-N 2.8Å; P147-Y149 VanDerWaalsContact C-N 3.32Å; P147-Y149 PolarHBondContact O-N 3.17Å; Y149-W152 AromaticContact CD1-CE3 3.99Å; Y149-W152 HydrophobicContact CD1-CE3 3.99Å; Y149-W152 HydrophobicContact CD1-CZ3 4.06Å; Y149-W152 HydrophobicContact CE1-CE3 4.46Å; Y149-W152 HydrophobicContact CE1-CH2 4.4Å; Y149-W152 HydrophobicContact CE1-CZ3 4.07Å; Y149-W152 PolarHBondContact O-N 3.34Å; Y149-S153 PolarHBondContact O-N 2.78Å
150Y89Confident89.7Confident51 Ų5168.3 Ų68.320%0.233%0.327CS..Hα-helixtrans-63.9-46.9173.5176.8-95.2000110.6Y140 P147 L148 W152 S153 V154 M179Y140-Y150 HydrophobicContact CD1-CD2 4.31Å; Y140-Y150 HydrophobicContact CE1-CD2 4.16Å; Y140-Y150 HydrophobicContact CE2-CG 4.46Å; P147-Y150 WeakPolarHBondContact O-CB 3.08Å; P147-Y150 PolarHBondContact O-N 3.32Å; L148-Y150 VanDerWaalsContact C-N 3.34Å; Y150-W152 VanDerWaalsContact C-N 3.34Å; Y150-W152 PolarHBondContact O-N 3.48Å; Y150-S153 PolarHBondContact O-N 3.03Å; Y150-S153 VanDerWaalsContact O-N 3.13Å; Y150-V154 HydrophobicContact CE1-CG2 3.87Å; Y150-V154 HydrophobicContact CE2-CG2 4.49Å; Y150-V154 PolarHBondContact O-N 3.41Å; Y150-V154 VanDerWaalsContact O-N 3.16Å; Y150-V154 WeakPolarHBondContact OH-CG2 3.25Å; Y150-M179 HydrophobicContact CE2-CB 3.73Å; Y150-M179 HydrophobicContact CE2-CE 4.16Å; Y150-M179 WeakPolarHBondContact CE2-O 3.42Å; Y150-M179 VanDerWaalsContact OH-CA 3.24Å; Y150-M179 WeakPolarHBondContact OH-CA 3.42Å; Y150-M179 WeakPolarHBondContact OH-CB 3.48Å; Y150-M179 PolarHBondContact OH-O 3.13Å; Y150-M179 PolarHBondContact OH-OXT 2.96Å
151F90.7Very high89.5Confident115 Ų11565 Ų6550%0.50432%0.315SS..Hα-helixtrans-57.9-41.4173.4178.4-103.7000112.9P147 L148 S153 V154 M155P147-F151 PolarHBondContact O-N 2.56Å; L148-F151 WeakPolarHBondContact O-CB 3.42Å; L148-F151 PolarHBondContact O-N 3.16Å; F151-S153 VanDerWaalsContact C-N 3.32Å; F151-S153 PolarHBondContact O-N 3.35Å; F151-V154 PolarHBondContact O-N 2.87Å; F151-M155 HydrophobicContact CD1-CG 4.06Å; F151-M155 HydrophobicContact CD2-CG 4.29Å; F151-M155 HydrophobicContact CE1-CG 3.58Å; F151-M155 HydrophobicContact CE1-SD 4.35Å; F151-M155 HydrophobicContact CE2-CG 3.85Å; F151-M155 HydrophobicContact CE2-SD 3.87Å; F151-M155 HydrophobicContact CG-CG 4.39Å; F151-M155 HydrophobicContact CZ-CG 3.46Å; F151-M155 VanDerWaalsContact CZ-CG 3.46Å; F151-M155 HydrophobicContact CZ-SD 3.64Å; F151-M155 WeakPolarHBondContact O-CG 3.3Å; F151-M155 PolarHBondContact O-N 3.34Å
152W90.7Very high89.3Confident58 Ų5863.9 Ų63.922%0.2232%0.317CS..Hα-helixtrans-57.6-44174.9-73.91.8000112.3A120 I121 A136 L139 L148 Y149 Y150 M155 C156A120-W152 HydrophobicContact CB-CE3 4.36Å; A120-W152 HydrophobicContact CB-CZ3 4.2Å; I121-W152 HydrophobicContact CD1-CH2 4.36Å; I121-W152 HydrophobicContact CG1-CH2 4.17Å; A136-W152 HydrophobicContact CB-CB 3.91Å; L139-W152 HydrophobicContact CD1-CZ3 4.35Å; L148-W152 HydrophobicContact CD2-CZ2 4.15Å; L148-W152 HydrophobicContact CG-CZ2 4.35Å; L148-W152 VanDerWaalsContact O-CD1 3.3Å; L148-W152 PolarHBondContact O-N 3.13Å; Y149-W152 AromaticContact CD1-CE3 3.99Å; Y149-W152 HydrophobicContact CD1-CE3 3.99Å; Y149-W152 HydrophobicContact CD1-CZ3 4.06Å; Y149-W152 HydrophobicContact CE1-CE3 4.46Å; Y149-W152 HydrophobicContact CE1-CH2 4.4Å; Y149-W152 HydrophobicContact CE1-CZ3 4.07Å; Y149-W152 PolarHBondContact O-N 3.34Å; Y150-W152 VanDerWaalsContact C-N 3.34Å; Y150-W152 PolarHBondContact O-N 3.48Å; W152-M155 PolarHBondContact O-N 3.47Å; W152-C156 PolarHBondContact O-N 2.96Å; W152-C156 PolarHBondContact O-SG 3.46Å
153S88.4Confident89Confident1 Ų164.6 Ų64.61%0.00733%0.327CS..Hα-helixtrans-64.1-42.6178.6-176.80000112.3S133 M137 Y149 Y150 F151 C156 N157 M179S133-S153 PolarHBondContact OG-O 3.41Å; S133-S153 PolarHBondContact OG-OG 3.38Å; M137-S153 WeakPolarHBondContact CG-OG 3.4Å; Y149-S153 PolarHBondContact O-N 2.78Å; Y150-S153 PolarHBondContact O-N 3.03Å; Y150-S153 VanDerWaalsContact O-N 3.13Å; F151-S153 VanDerWaalsContact C-N 3.32Å; F151-S153 PolarHBondContact O-N 3.35Å; S153-C156 PolarHBondContact O-N 3.04Å; S153-N157 PolarHBondContact O-N 3.21Å; S153-N157 VanDerWaalsContact O-N 3.11Å; S153-N157 PolarHBondContact O-ND2 3.05Å; S153-M179 VanDerWaalsContact OG-CE 3.27Å; S153-M179 WeakPolarHBondContact OG-CE 3.31Å
154V89.6Confident88.8Confident28 Ų2862.5 Ų62.517%0.1732%0.323CS..Hα-helixtrans-59.5-48174.5176.50000110.9Y150 F151 C156 N157 V158 A176 M179Y150-V154 HydrophobicContact CE1-CG2 3.87Å; Y150-V154 HydrophobicContact CE2-CG2 4.49Å; Y150-V154 PolarHBondContact O-N 3.41Å; Y150-V154 VanDerWaalsContact O-N 3.16Å; Y150-V154 WeakPolarHBondContact OH-CG2 3.25Å; F151-V154 PolarHBondContact O-N 2.87Å; V154-C156 VanDerWaalsContact C-N 3.32Å; V154-C156 PolarHBondContact O-N 3.06Å; V154-N157 WeakPolarHBondContact O-CB 3.35Å; V154-N157 PolarHBondContact O-N 3.01Å; V154-V158 PolarHBondContact O-N 3.17Å; V154-A176 HydrophobicContact CG1-CB 4.15Å; V154-M179 HydrophobicContact CG2-CB 4.43Å
155M91.1Very high88.6Confident73 Ų7363.3 Ų63.336%0.3633%0.328SS..Hα-helixtrans-61.6-38.8178.7-70.9-54.8-58.500112.4F151 W152 N157 V158 L159F151-M155 HydrophobicContact CD1-CG 4.06Å; F151-M155 HydrophobicContact CD2-CG 4.29Å; F151-M155 HydrophobicContact CE1-CG 3.58Å; F151-M155 HydrophobicContact CE1-SD 4.35Å; F151-M155 HydrophobicContact CE2-CG 3.85Å; F151-M155 HydrophobicContact CE2-SD 3.87Å; F151-M155 HydrophobicContact CG-CG 4.39Å; F151-M155 HydrophobicContact CZ-CG 3.46Å; F151-M155 VanDerWaalsContact CZ-CG 3.46Å; F151-M155 HydrophobicContact CZ-SD 3.64Å; F151-M155 WeakPolarHBondContact O-CG 3.3Å; F151-M155 PolarHBondContact O-N 3.34Å; W152-M155 PolarHBondContact O-N 3.47Å; M155-N157 VanDerWaalsContact C-N 3.29Å; M155-N157 PolarHBondContact O-N 3.19Å; M155-V158 PolarHBondContact O-N 3.45Å; M155-L159 WeakPolarHBondContact O-CG 3.32Å; M155-L159 PolarHBondContact O-N 2.91Å
156C90.8Very high88.6Confident2 Ų262 Ų621%0.01433%0.325CS..Hα-helixtrans-63.6-33.4173.9-67.40000112.8Y129 Q132 W152 S153 V154 Q160Y129-C156 WeakPolarHBondContact O-CB 3.37Å; Q132-C156 WeakPolarHBondContact CG-SG 3.24Å; Q132-C156 PolarHBondContact OE1-SG 3.02Å; Q132-C156 VanDerWaalsContact OE1-SG 3.34Å; W152-C156 PolarHBondContact O-N 2.96Å; W152-C156 PolarHBondContact O-SG 3.46Å; S153-C156 PolarHBondContact O-N 3.04Å; V154-C156 VanDerWaalsContact C-N 3.32Å; V154-C156 PolarHBondContact O-N 3.06Å; C156-Q160 WeakPolarHBondContact O-CB 3.27Å; C156-Q160 VanDerWaalsContact O-CG 3.3Å; C156-Q160 WeakPolarHBondContact O-CG 3.34Å; C156-Q160 PolarHBondContact O-N 2.91Å; C156-Q160 PolarHBondContact O-NE2 3.21Å
157N86.4Confident88.7Confident5 Ų562.1 Ų62.13%0.02733%0.327CS..Hα-helixtrans-68.6-40.7173.2-74-56.3000111.3S153 V154 M155 L159 Q160 A161 Y172 L175 A176S153-N157 PolarHBondContact O-N 3.21Å; S153-N157 VanDerWaalsContact O-N 3.11Å; S153-N157 PolarHBondContact O-ND2 3.05Å; V154-N157 WeakPolarHBondContact O-CB 3.35Å; V154-N157 PolarHBondContact O-N 3.01Å; M155-N157 VanDerWaalsContact C-N 3.29Å; M155-N157 PolarHBondContact O-N 3.19Å; N157-L159 PolarHBondContact O-N 3.11Å; N157-Q160 PolarHBondContact O-N 3.01Å; N157-A161 PolarHBondContact O-N 3.01Å; N157-Y172 WeakPolarHBondContact O-CB 3.39Å; N157-L175 WeakPolarHBondContact OD1-CD2 3.27Å; N157-A176 HydrophobicContact CB-CB 3.97Å
158V89.1Confident88.5Confident59 Ų5958.2 Ų58.236%0.35830%0.303SS..Hα-helixtrans-61.5-43.7174.3176.80000111.4V154 M155 Q160 A161 D162 A176V154-V158 PolarHBondContact O-N 3.17Å; M155-V158 PolarHBondContact O-N 3.45Å; V158-Q160 VanDerWaalsContact C-N 3.33Å; V158-Q160 PolarHBondContact O-N 2.92Å; V158-A161 WeakPolarHBondContact O-CB 3.27Å; V158-A161 PolarHBondContact O-N 3.12Å; V158-D162 PolarHBondContact O-N 3.12Å; V158-A176 HydrophobicContact CG2-CB 4.48Å
159L89.9Confident88Confident62 Ų6258.1 Ų58.133%0.32531%0.314SS..Hα-helixtrans-66.6-33176.9-68.6168.6000112.8Y129 M155 N157 S163Y129-L159 HydrophobicContact CD1-CB 4.18Å; Y129-L159 HydrophobicContact CD1-CD1 3.82Å; Y129-L159 HydrophobicContact CD2-CB 3.86Å; Y129-L159 HydrophobicContact CE1-CB 4.31Å; Y129-L159 HydrophobicContact CE1-CD1 3.58Å; Y129-L159 HydrophobicContact CE1-CG 4.49Å; Y129-L159 HydrophobicContact CE2-CB 3.99Å; Y129-L159 HydrophobicContact CG-CB 3.95Å; Y129-L159 HydrophobicContact CG-CD1 4.45Å; M155-L159 WeakPolarHBondContact O-CG 3.32Å; M155-L159 PolarHBondContact O-N 2.91Å; N157-L159 PolarHBondContact O-N 3.11Å; L159-S163 PolarHBondContact O-N 3.21Å; L159-S163 VanDerWaalsContact O-N 3.11Å; L159-S163 PolarHBondContact O-OG 3.29Å
160Q87.6Confident87.8Confident15 Ų1562.4 Ų62.47%0.0734%0.341CS..Hα-helixtrans-69.2-37.2171.4-76.3172.197.700111.9C156 N157 V158 D162 S163 Q164 Y172C156-Q160 WeakPolarHBondContact O-CB 3.27Å; C156-Q160 VanDerWaalsContact O-CG 3.3Å; C156-Q160 WeakPolarHBondContact O-CG 3.34Å; C156-Q160 PolarHBondContact O-N 2.91Å; C156-Q160 PolarHBondContact O-NE2 3.21Å; N157-Q160 PolarHBondContact O-N 3.01Å; V158-Q160 VanDerWaalsContact C-N 3.33Å; V158-Q160 PolarHBondContact O-N 2.92Å; Q160-D162 VanDerWaalsContact C-N 3.32Å; Q160-D162 PolarHBondContact O-N 3.4Å; Q160-S163 WeakPolarHBondContact CA-OG 3.35Å; Q160-S163 PolarHBondContact O-N 3.14Å; Q160-S163 PolarHBondContact O-OG 3.13Å; Q160-Q164 WeakPolarHBondContact O-CB 3.44Å; Q160-Q164 PolarHBondContact O-N 2.95Å; Q160-Y172 HydrophobicContact CB-CD1 3.79Å; Q160-Y172 HydrophobicContact CB-CD2 4Å; Q160-Y172 HydrophobicContact CB-CE1 3.77Å; Q160-Y172 HydrophobicContact CB-CE2 3.95Å; Q160-Y172 HydrophobicContact CB-CG 3.92Å; Q160-Y172 HydrophobicContact CG-CE1 4.35Å
161A87.6Confident87.7Confident7 Ų763.1 Ų63.16%0.05835%0.351CS..Hα-helixtrans-61.8-41.7174.300000111.8N157 V158 Q164 A168 Y172 L173N157-A161 PolarHBondContact O-N 3.01Å; V158-A161 WeakPolarHBondContact O-CB 3.27Å; V158-A161 PolarHBondContact O-N 3.12Å; A161-Q164 CarbonylContact O-C 3.5Å; A161-A168 HydrophobicContact CB-CB 3.7Å; A161-Y172 HydrophobicContact CB-CD2 4.49Å; A161-L173 HydrophobicContact CB-CD2 3.88Å; A161-L173 HydrophobicContact CB-CG 4.02Å
162D87.7Confident87.3Confident139 Ų13959 Ų5974%0.74333%0.332SS*.Hα-helixtrans-66.5-42178-168.158.8000112.3V158 Q160V158-D162 PolarHBondContact O-N 3.12Å; Q160-D162 VanDerWaalsContact C-N 3.32Å; Q160-D162 PolarHBondContact O-N 3.4Å
163S86.3Confident86.9Confident74 Ų7460.4 Ų60.452%0.51734%0.343SS..Hα-helixtrans-77.1-23.1178.4570000114.5L159 Q160L159-S163 PolarHBondContact O-N 3.21Å; L159-S163 VanDerWaalsContact O-N 3.11Å; L159-S163 PolarHBondContact O-OG 3.29Å; Q160-S163 WeakPolarHBondContact CA-OG 3.35Å; Q160-S163 PolarHBondContact O-N 3.14Å; Q160-S163 PolarHBondContact O-OG 3.13Å
164Q87.2Confident86.7Confident89 Ų8962.5 Ų62.542%0.41636%0.357SS..  trans-131.274.5-179.7-65.4-179.4-1.900110.6Q160 A161 E166 L167 A168 Y172Q160-Q164 WeakPolarHBondContact O-CB 3.44Å; Q160-Q164 PolarHBondContact O-N 2.95Å; A161-Q164 CarbonylContact O-C 3.5Å; Q164-E166 PolarHBondContact O-N 3.31Å; Q164-E166 VanDerWaalsContact O-N 3.13Å; Q164-L167 PolarHBondContact O-N 2.89Å; Q164-A168 PolarHBondContact O-N 3.27Å; Q164-A168 VanDerWaalsContact O-N 3.13Å; Q164-Y172 HydrophobicContact CB-CE2 3.95Å; Q164-Y172 PolarHBondContact OE1-OH 2.87Å
165P84.8Confident86.3Confident97 Ų9764.8 Ų64.863%0.6337%0.367SS*.Hα-helixtrans-60-29-173.822.5-33.8000113.4L167 A168P165-L167 VanDerWaalsContact C-N 3.26Å; P165-L167 PolarHBondContact O-N 3.36Å; P165-A168 VanDerWaalsContact O-CB 3.31Å; P165-A168 WeakPolarHBondContact O-CB 3.19Å; P165-A168 PolarHBondContact O-N 3.49Å
166E88.4Confident85.8Confident179 Ų17962 Ų6284%0.83636%0.356SS*.Hα-helixtrans-61.6-33.3177-58-178.7-17400113Q164Q164-E166 PolarHBondContact O-N 3.31Å; Q164-E166 VanDerWaalsContact O-N 3.13Å
167L87.2Confident85.3Confident68 Ų6866 Ų6636%0.35639%0.39SS..Hα-helixtrans-100.8-6.4-179.9-64.5179000112.6Q164 P165 T170 V171 Y172Q164-L167 PolarHBondContact O-N 2.89Å; P165-L167 VanDerWaalsContact C-N 3.26Å; P165-L167 PolarHBondContact O-N 3.36Å; L167-T170 PolarHBondContact O-N 2.91Å; L167-V171 HydrophobicContact CB-CB 4.45Å; L167-V171 HydrophobicContact CB-CG2 4.45Å; L167-V171 HydrophobicContact CD2-CG2 4.14Å; L167-V171 WeakPolarHBondContact O-CB 3.4Å; L167-V171 PolarHBondContact O-N 2.89Å; L167-Y172 HydrophobicContact CB-CD2 3.85Å; L167-Y172 HydrophobicContact CB-CE2 3.5Å; L167-Y172 HydrophobicContact CD1-CE2 4.18Å; L167-Y172 PolarHBondContact O-N 3.42Å; L167-Y172 VanDerWaalsContact O-N 3.15Å
168A83.6Confident84.9Confident14 Ų1474.2 Ų74.212%0.11643%0.425CS..Iπ-helixtrans-56.1-56.5-178.200000112A161 Q164 P165 T170 Y172 L173A161-A168 HydrophobicContact CB-CB 3.7Å; Q164-A168 PolarHBondContact O-N 3.27Å; Q164-A168 VanDerWaalsContact O-N 3.13Å; P165-A168 VanDerWaalsContact O-CB 3.31Å; P165-A168 WeakPolarHBondContact O-CB 3.19Å; P165-A168 PolarHBondContact O-N 3.49Å; A168-T170 PolarHBondContact O-N 3.49Å; A168-Y172 PolarHBondContact O-N 3.17Å; A168-L173 HydrophobicContact CB-CD1 4.38Å; A168-L173 VanDerWaalsContact O-CB 3.28Å; A168-L173 WeakPolarHBondContact O-CB 3.48Å; A168-L173 VanDerWaalsContact O-CG 3.29Å; A168-L173 WeakPolarHBondContact O-CG 3.28Å; A168-L173 PolarHBondContact O-N 3.48Å
169A81.8Confident83.9Confident76 Ų7675.1 Ų75.163%0.62843%0.426SS*.Iπ-helixtrans-74.2-25.7-174.700000113.5P174A169-P174 WeakPolarHBondContact O-CD 3.44Å; A169-P174 WeakPolarHBondContact O-CG 3.29Å
170T86.9Confident83.6Confident98 Ų9875.8 Ų75.860%0.60143%0.432SS*.Iπ-helixtrans-97.6-33.4-172.352.30000113.2L167 A168L167-T170 PolarHBondContact O-N 2.91Å; A168-T170 PolarHBondContact O-N 3.49Å
171V85.2Confident83.4Confident67 Ų6779 Ų7941%0.40645%0.451SS..Iπ-helixtrans-119.2-61.5-173.2-177.10000111L167 L175L167-V171 HydrophobicContact CB-CB 4.45Å; L167-V171 HydrophobicContact CB-CG2 4.45Å; L167-V171 HydrophobicContact CD2-CG2 4.14Å; L167-V171 WeakPolarHBondContact O-CB 3.4Å; L167-V171 PolarHBondContact O-N 2.89Å; V171-L175 WeakPolarHBondContact O-CB 3.45Å; V171-L175 PolarHBondContact O-N 2.68Å; V171-L175 VanDerWaalsContact O-N 3.12Å
172Y83.8Confident83.2Confident29 Ų2983 Ų8311%0.11447%0.472CS..Iπ-helixtrans-77.7-46.4-162.8-61.6-55.1000114.2N157 Q160 A161 Q164 L167 A168 L175 A176N157-Y172 WeakPolarHBondContact O-CB 3.39Å; Q160-Y172 HydrophobicContact CB-CD1 3.79Å; Q160-Y172 HydrophobicContact CB-CD2 4Å; Q160-Y172 HydrophobicContact CB-CE1 3.77Å; Q160-Y172 HydrophobicContact CB-CE2 3.95Å; Q160-Y172 HydrophobicContact CB-CG 3.92Å; Q160-Y172 HydrophobicContact CG-CE1 4.35Å; A161-Y172 HydrophobicContact CB-CD2 4.49Å; Q164-Y172 HydrophobicContact CB-CE2 3.95Å; Q164-Y172 PolarHBondContact OE1-OH 2.87Å; L167-Y172 HydrophobicContact CB-CD2 3.85Å; L167-Y172 HydrophobicContact CB-CE2 3.5Å; L167-Y172 HydrophobicContact CD1-CE2 4.18Å; L167-Y172 PolarHBondContact O-N 3.42Å; L167-Y172 VanDerWaalsContact O-N 3.15Å; A168-Y172 PolarHBondContact O-N 3.17Å; Y172-L175 PolarHBondContact O-N 3.12Å; Y172-A176 WeakPolarHBondContact O-CB 3.38Å; Y172-A176 PolarHBondContact O-N 3.26Å
173L82.3Confident83Confident86 Ų8679.7 Ų79.745%0.4546%0.456SS..Hα-helixtrans-68.6-42.4178.5-61.7175.5000112.4A161 A168 L175 A176 A177A161-L173 HydrophobicContact CB-CD2 3.88Å; A161-L173 HydrophobicContact CB-CG 4.02Å; A168-L173 HydrophobicContact CB-CD1 4.38Å; A168-L173 VanDerWaalsContact O-CB 3.28Å; A168-L173 WeakPolarHBondContact O-CB 3.48Å; A168-L173 VanDerWaalsContact O-CG 3.29Å; A168-L173 WeakPolarHBondContact O-CG 3.28Å; A168-L173 PolarHBondContact O-N 3.48Å; L173-L175 VanDerWaalsContact C-N 3.28Å; L173-L175 PolarHBondContact O-N 3.15Å; L173-A176 PolarHBondContact O-N 2.89Å; L173-A177 WeakPolarHBondContact O-CB 3.48Å; L173-A177 PolarHBondContact O-N 3.13Å
174P83.9Confident82.7Confident46 Ų4680.1 Ų80.130%0.29945%0.453SS..Hα-helixtrans-61.5-36.3172.3-24.835.3000113A169 K178A169-P174 WeakPolarHBondContact O-CD 3.44Å; A169-P174 WeakPolarHBondContact O-CG 3.29Å; P174-K178 WeakPolarHBondContact O-CB 3.18Å; P174-K178 VanDerWaalsContact O-CG 3.27Å; P174-K178 WeakPolarHBondContact O-CG 3.44Å; P174-K178 PolarHBondContact O-N 3.48Å; P174-K178 VanDerWaalsContact O-N 3.12Å
175L81Confident82.4Confident75 Ų7579.5 Ų79.539%0.39346%0.455SS..Hα-helixtrans-66.4-48175.4-175.762.1000110.7N157 V171 Y172 L173 A177 K178 M179N157-L175 WeakPolarHBondContact OD1-CD2 3.27Å; V171-L175 WeakPolarHBondContact O-CB 3.45Å; V171-L175 PolarHBondContact O-N 2.68Å; V171-L175 VanDerWaalsContact O-N 3.12Å; Y172-L175 PolarHBondContact O-N 3.12Å; L173-L175 VanDerWaalsContact C-N 3.28Å; L173-L175 PolarHBondContact O-N 3.15Å; L175-A177 VanDerWaalsContact C-N 3.26Å; L175-A177 PolarHBondContact O-N 3.49Å; L175-K178 PolarHBondContact O-N 3.01Å; L175-M179 HydrophobicContact CD1-CG 4.18Å; L175-M179 HydrophobicContact CD1-SD 4.11Å; L175-M179 HydrophobicContact CG-CG 4.43Å; L175-M179 HydrophobicContact CG-SD 3.91Å; L175-M179 WeakPolarHBondContact O-CG 3.16Å; L175-M179 PolarHBondContact O-N 3.34Å; L175-M179 VanDerWaalsContact O-N 3.12Å
176A80.1Confident82.3Confident15 Ų1578.2 Ų78.212%0.12444%0.443CS..Hα-helixtrans-58.4-35.5176.500000113.2V154 N157 V158 Y172 L173V154-A176 HydrophobicContact CG1-CB 4.15Å; N157-A176 HydrophobicContact CB-CB 3.97Å; V158-A176 HydrophobicContact CG2-CB 4.48Å; Y172-A176 WeakPolarHBondContact O-CB 3.38Å; Y172-A176 PolarHBondContact O-N 3.26Å; L173-A176 PolarHBondContact O-N 2.89Å
177A80.1Confident81.8Confident87 Ų8770.5 Ų70.572%0.71941%0.412SS*.Hα-helixtrans-79.7-24.9179.600000114.2L173 L175L173-A177 WeakPolarHBondContact O-CB 3.48Å; L173-A177 PolarHBondContact O-N 3.13Å; L175-A177 VanDerWaalsContact C-N 3.26Å; L175-A177 PolarHBondContact O-N 3.49Å
178K78.4Confident81.4Confident177 Ų17770.7 Ų70.777%0.7742%0.417SS*.Hα-helixtrans-87.3-29.8-178.9-81.6-179.8-179.1-179.10113.7P174 L175P174-K178 WeakPolarHBondContact O-CB 3.18Å; P174-K178 VanDerWaalsContact O-CG 3.27Å; P174-K178 WeakPolarHBondContact O-CG 3.44Å; P174-K178 PolarHBondContact O-N 3.48Å; P174-K178 VanDerWaalsContact O-N 3.12Å; L175-K178 PolarHBondContact O-N 3.01Å
179M69.5Low81.2Confident78 Ų7875.8 Ų75.838%0.38444%0.444SS..  trans-63.60178.4-73.3-178.667.500108.1M137 Y150 S153 V154 L175M137-M179 HydrophobicContact CE-CE 3.83Å; M137-M179 HydrophobicContact CG-CE 4.03Å; M137-M179 HydrophobicContact SD-CE 3.24Å; M137-M179 WeakPolarHBondContact SD-CE 3.46Å; Y150-M179 HydrophobicContact CE2-CB 3.73Å; Y150-M179 HydrophobicContact CE2-CE 4.16Å; Y150-M179 WeakPolarHBondContact CE2-O 3.42Å; Y150-M179 VanDerWaalsContact OH-CA 3.24Å; Y150-M179 WeakPolarHBondContact OH-CA 3.42Å; Y150-M179 WeakPolarHBondContact OH-CB 3.48Å; Y150-M179 PolarHBondContact OH-O 3.13Å; Y150-M179 PolarHBondContact OH-OXT 2.96Å; S153-M179 VanDerWaalsContact OG-CE 3.27Å; S153-M179 WeakPolarHBondContact OG-CE 3.31Å; V154-M179 HydrophobicContact CG2-CB 4.43Å; L175-M179 HydrophobicContact CD1-CG 4.18Å; L175-M179 HydrophobicContact CD1-SD 4.11Å; L175-M179 HydrophobicContact CG-CG 4.43Å; L175-M179 HydrophobicContact CG-SD 3.91Å; L175-M179 WeakPolarHBondContact O-CG 3.16Å; L175-M179 PolarHBondContact O-N 3.34Å; L175-M179 VanDerWaalsContact O-N 3.12Å

Retrieved 179 of 179 residues in 179.6 ms (Link to these results)

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