A0A087Y8C6_POEFO Loading...

CASP2 and RIPK1 domain containing adaptor with death domain

AlphaFold DB , UniProt , Accession A0A087Y8C6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 219 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
1M61.4Low71.5Confident42 Ų4274.8 Ų74.821%0.20735%0.352CS..  0125.20-172.8174.9-164.500105.5H5 R6 L9 P62 F69M1-H5 HydrophobicContact CE-CB 3.49Å; M1-H5 VanDerWaalsContact CE-CB 3.49Å; M1-H5 HydrophobicContact CG-CB 3.79Å; M1-H5 HydrophobicContact SD-CB 4.42Å; M1-R6 HydrophobicContact CG-CG 4.07Å; M1-R6 HydrophobicContact SD-CG 3.77Å; M1-L9 HydrophobicContact CE-CD1 3.27Å; M1-L9 HydrophobicContact CE-CG 4.19Å; M1-L9 HydrophobicContact SD-CD1 4.48Å; M1-P62 VanDerWaalsContact SD-CA 3.56Å; M1-P62 HydrophobicContact SD-CB 4.3Å; M1-F69 HydrophobicContact CE-CB 4.01Å; M1-F69 HydrophobicContact CE-CD2 3.7Å; M1-F69 HydrophobicContact CE-CG 4.23Å
2E63.8Low71.4Confident93 Ų9369.9 Ų69.944%0.43533%0.328SS..  trans-60.8148.9178.7-76.5139.711600111.6E4 H5 R6E2-E4 PolarHBondContact O-N 3.41Å; E2-H5 PolarHBondContact O-N 3.38Å; E2-H5 IonicContact OE2-CE1 3.69Å; E2-H5 PolarHBondContact OE2-CE1 3.31Å; E2-H5 IonicContact OE2-ND1 2.88Å; E2-H5 PolarHBondContact OE2-ND1 3.39Å; E2-H5 VanDerWaalsContact OE2-ND1 3.15Å; E2-R6 PolarHBondContact O-N 2.8Å
3P66.2Low71.6Confident98 Ų9869.6 Ų69.664%0.63632%0.322SS*.Hα-helixtrans-58.7-28.1177.924.8-33.6000111.8R6 A7P3-R6 PolarHBondContact O-N 3.5Å; P3-A7 WeakPolarHBondContact O-CB 3.45Å; P3-A7 PolarHBondContact O-N 3.36Å
4E70.3Confident71.6Confident66 Ų6671.4 Ų71.431%0.30834%0.34SS..Hα-helixtrans-66.3-49.7178-50.5179.3106.800111.1E2 R6 A7 V8 L90 A94E2-E4 PolarHBondContact O-N 3.41Å; E4-R6 VanDerWaalsContact C-N 3.28Å; E4-R6 PolarHBondContact O-N 2.93Å; E4-A7 WeakPolarHBondContact O-CB 3.3Å; E4-A7 PolarHBondContact O-N 3.19Å; E4-A7 VanDerWaalsContact O-N 3.12Å; E4-V8 WeakPolarHBondContact O-CG2 3.35Å; E4-V8 PolarHBondContact O-N 3.04Å; E4-L90 HydrophobicContact CB-CD1 3.71Å; E4-A94 VanDerWaalsContact OE1-CA 3.3Å; E4-A94 WeakPolarHBondContact OE1-CA 3.39Å; E4-A94 WeakPolarHBondContact OE1-CB 3.39Å
5H73.7Confident71.4Confident21 Ų2173.5 Ų73.510%0.09735%0.349CS..Hα-helixtrans-59.5-39.1174.4-64.9135.4000112.3M1 E2 L9 F69 L90M1-H5 HydrophobicContact CE-CB 3.49Å; M1-H5 VanDerWaalsContact CE-CB 3.49Å; M1-H5 HydrophobicContact CG-CB 3.79Å; M1-H5 HydrophobicContact SD-CB 4.42Å; E2-H5 PolarHBondContact O-N 3.38Å; E2-H5 IonicContact OE2-CE1 3.69Å; E2-H5 PolarHBondContact OE2-CE1 3.31Å; E2-H5 IonicContact OE2-ND1 2.88Å; E2-H5 PolarHBondContact OE2-ND1 3.39Å; E2-H5 VanDerWaalsContact OE2-ND1 3.15Å; H5-L9 WeakPolarHBondContact O-CG 3.35Å; H5-L9 PolarHBondContact O-N 3.4Å; H5-F69 HydrophobicContact CB-CD2 4.14Å; H5-F69 HydrophobicContact CB-CE2 4.36Å; H5-F69 HydrophobicContact CB-CG 4.31Å; H5-F69 AromaticContact CD2-CD1 3.42Å; H5-F69 VanDerWaalsContact CD2-CD1 3.42Å; H5-F69 WeakPolarHBondContact CD2-CD1 3.33Å; H5-F69 AromaticContact CD2-CE1 3.26Å; H5-F69 WeakPolarHBondContact CD2-CE1 3.3Å; H5-F69 AromaticContact CD2-CE2 3.99Å; H5-F69 AromaticContact CD2-CG 3.85Å; H5-F69 AromaticContact CD2-CZ 3.58Å; H5-F69 AromaticContact NE2-CD1 3.49Å; H5-F69 WeakPolarHBondContact NE2-CD1 3.15Å; H5-F69 AromaticContact NE2-CE1 3.47Å; H5-F69 WeakPolarHBondContact NE2-CE1 3.4Å; H5-L90 WeakPolarHBondContact CD2-CD1 3.46Å; H5-L90 VanDerWaalsContact CD2-CD2 3.47Å; H5-L90 WeakPolarHBondContact CD2-CD2 3.42Å; H5-L90 WeakPolarHBondContact NE2-CD2 3.24Å
6R74.3Confident71.5Confident113 Ų11369.3 Ų69.343%0.42633%0.33SS..Hα-helixtrans-65.4-41.2175.6-72.6-179.7138.4-164.3-7.8111.7M1 E2 P3 E4 R10 P62 N63M1-R6 HydrophobicContact CG-CG 4.07Å; M1-R6 HydrophobicContact SD-CG 3.77Å; E2-R6 PolarHBondContact O-N 2.8Å; P3-R6 PolarHBondContact O-N 3.5Å; E4-R6 VanDerWaalsContact C-N 3.28Å; E4-R6 PolarHBondContact O-N 2.93Å; R6-R10 VanDerWaalsContact O-CB 3.3Å; R6-R10 WeakPolarHBondContact O-CB 3.5Å; R6-R10 PolarHBondContact O-N 2.91Å; R6-P62 HydrophobicContact CG-CB 3.9Å; R6-P62 VanDerWaalsContact CZ-O 3.28Å; R6-P62 PolarHBondContact NE-O 3.37Å; R6-P62 PolarHBondContact NH2-O 2.94Å; R6-N63 PolarHBondContact NH2-OD1 3.06Å
7A73.1Confident71.6Confident44 Ų4465.4 Ų65.436%0.36431%0.312SS..Hα-helixtrans-64.7-44.8178.700000111.4P3 E4 R10 K11P3-A7 WeakPolarHBondContact O-CB 3.45Å; P3-A7 PolarHBondContact O-N 3.36Å; E4-A7 WeakPolarHBondContact O-CB 3.3Å; E4-A7 PolarHBondContact O-N 3.19Å; E4-A7 VanDerWaalsContact O-N 3.12Å; A7-R10 PolarHBondContact O-N 3.22Å; A7-K11 WeakPolarHBondContact O-CB 3.48Å; A7-K11 PolarHBondContact O-N 3.23Å
8V76.5Confident71.4Confident2 Ų268.7 Ų68.71%0.01233%0.332CS..Hα-helixtrans-61.5-50.8176.81770000110.9E4 R10 K11 F12 L86 E89 L90E4-V8 WeakPolarHBondContact O-CG2 3.35Å; E4-V8 PolarHBondContact O-N 3.04Å; V8-R10 PolarHBondContact O-N 3.15Å; V8-K11 PolarHBondContact O-N 2.97Å; V8-F12 HydrophobicContact CG1-CD2 4Å; V8-F12 WeakPolarHBondContact O-CB 3.26Å; V8-F12 WeakPolarHBondContact O-CD2 3.47Å; V8-F12 PolarHBondContact O-N 3.12Å; V8-L86 HydrophobicContact CG1-CD2 3.78Å; V8-L86 HydrophobicContact CG1-CG 4.32Å; V8-E89 HydrophobicContact CG1-CB 4Å; V8-E89 HydrophobicContact CG2-CB 4.39Å; V8-L90 HydrophobicContact CG2-CB 4.28Å; V8-L90 HydrophobicContact CG2-CD1 4.27Å
9L76.9Confident71.1Confident6 Ų668.6 Ų68.63%0.03133%0.33CS..Hα-helixtrans-59.3-35.8177.4-76.9-179.5000112.5M1 H5 R13 L16 L58 L61 F69 F72 L86M1-L9 HydrophobicContact CE-CD1 3.27Å; M1-L9 HydrophobicContact CE-CG 4.19Å; M1-L9 HydrophobicContact SD-CD1 4.48Å; H5-L9 WeakPolarHBondContact O-CG 3.35Å; H5-L9 PolarHBondContact O-N 3.4Å; L9-R13 VanDerWaalsContact O-CA 3.29Å; L9-R13 WeakPolarHBondContact O-CA 3.42Å; L9-R13 VanDerWaalsContact O-CB 3.3Å; L9-R13 WeakPolarHBondContact O-CB 3.37Å; L9-R13 PolarHBondContact O-N 2.82Å; L9-L16 HydrophobicContact CD2-CD1 4.32Å; L9-L58 HydrophobicContact CD2-CD2 3.98Å; L9-L61 HydrophobicContact CD1-CB 4.04Å; L9-L61 HydrophobicContact CD1-CD1 4.28Å; L9-F69 HydrophobicContact CD1-CD2 4.39Å; L9-F69 HydrophobicContact CD2-CE2 4.45Å; L9-F69 HydrophobicContact CG-CD2 4.46Å; L9-F69 HydrophobicContact CG-CE2 4.33Å; L9-F72 HydrophobicContact CD2-CD1 4.46Å; L9-F72 HydrophobicContact CD2-CE1 4.16Å; L9-L86 HydrophobicContact CD2-CD2 3.7Å; L9-L86 HydrophobicContact CG-CD2 4.36Å
10R75.5Confident70.8Confident200 Ų20065.3 Ų65.376%0.75532%0.315SS*.Hα-helixtrans-71.3-39178.9-160.6176.6-136.5168.43.9112.1R6 A7 V8 R13R6-R10 VanDerWaalsContact O-CB 3.3Å; R6-R10 WeakPolarHBondContact O-CB 3.5Å; R6-R10 PolarHBondContact O-N 2.91Å; A7-R10 PolarHBondContact O-N 3.22Å; V8-R10 PolarHBondContact O-N 3.15Å; R10-R13 VanDerWaalsContact O-CB 3.25Å; R10-R13 WeakPolarHBondContact O-CB 3.49Å; R10-R13 PolarHBondContact O-N 2.72Å
11K74.6Confident70.4Confident138 Ų13867.6 Ų67.660%0.633%0.328SS*.Hα-helixtrans-68.5-43175.9-168.7179.7179.4-166.50111.3A7 V8 R13 E89A7-K11 WeakPolarHBondContact O-CB 3.48Å; A7-K11 PolarHBondContact O-N 3.23Å; V8-K11 PolarHBondContact O-N 2.97Å; K11-R13 VanDerWaalsContact C-N 3.28Å; K11-R13 PolarHBondContact O-N 2.91Å; K11-E89 WeakPolarHBondContact CE-OE2 3.42Å; K11-E89 IonicContact NZ-OE1 3.15Å; K11-E89 IonicContact NZ-OE2 3.04Å; K11-E89 PolarHBondContact NZ-OE2 3.25Å
12F70.3Confident70.4Confident16 Ų1666.5 Ų66.57%0.0732%0.323CS..Hα-helixtrans-80.9-5.1176.8-85-92000113.8V8 V14 Q15 L16 R85 E89V8-F12 HydrophobicContact CG1-CD2 4Å; V8-F12 WeakPolarHBondContact O-CB 3.26Å; V8-F12 WeakPolarHBondContact O-CD2 3.47Å; V8-F12 PolarHBondContact O-N 3.12Å; F12-V14 PolarHBondContact O-N 3.45Å; F12-V14 VanDerWaalsContact O-N 3.16Å; F12-Q15 HydrophobicContact CD1-CB 4.37Å; F12-Q15 VanDerWaalsContact CE1-OE1 3.26Å; F12-Q15 PolarHBondContact O-N 2.96Å; F12-Q15 VanDerWaalsContact O-N 3.13Å; F12-L16 HydrophobicContact CB-CD1 3.75Å; F12-L16 HydrophobicContact CB-CG 3.97Å; F12-L16 VanDerWaalsContact O-CB 3.32Å; F12-L16 WeakPolarHBondContact O-CB 3.14Å; F12-L16 VanDerWaalsContact O-CG 3.32Å; F12-L16 WeakPolarHBondContact O-CG 3.47Å; F12-L16 PolarHBondContact O-N 3.01Å; F12-R85 HydrophobicContact CE1-CG 3.65Å; F12-R85 HydrophobicContact CZ-CG 3.91Å; F12-E89 HydrophobicContact CD2-CB 4.4Å; F12-E89 HydrophobicContact CE2-CB 3.64Å; F12-E89 HydrophobicContact CE2-CG 3.35Å; F12-E89 WeakPolarHBondContact CE2-OE2 3.17Å; F12-E89 HydrophobicContact CZ-CB 4.27Å; F12-E89 HydrophobicContact CZ-CG 3.62Å
13R73.8Confident70Confident66 Ų6664.2 Ų64.225%0.24932%0.317CS..Hα-helixtrans-52.9-43.8-175.4-174.3176-179.4150.51.2112.7L9 R10 K11 S17 L55 L58 D59L9-R13 VanDerWaalsContact O-CA 3.29Å; L9-R13 WeakPolarHBondContact O-CA 3.42Å; L9-R13 VanDerWaalsContact O-CB 3.3Å; L9-R13 WeakPolarHBondContact O-CB 3.37Å; L9-R13 PolarHBondContact O-N 2.82Å; R10-R13 VanDerWaalsContact O-CB 3.25Å; R10-R13 WeakPolarHBondContact O-CB 3.49Å; R10-R13 PolarHBondContact O-N 2.72Å; K11-R13 VanDerWaalsContact C-N 3.28Å; K11-R13 PolarHBondContact O-N 2.91Å; R13-S17 WeakPolarHBondContact O-CB 3.49Å; R13-S17 PolarHBondContact O-N 3.33Å; R13-S17 PolarHBondContact O-OG 2.81Å; R13-S17 VanDerWaalsContact O-OG 3.1Å; R13-L55 HydrophobicContact CG-CD2 3.63Å; R13-L55 PolarHBondContact NH2-O 3.14Å; R13-L58 HydrophobicContact CG-CB 4.43Å; R13-L58 HydrophobicContact CG-CD1 4.33Å; R13-D59 IonicContact CZ-OD2 3.79Å; R13-D59 VanDerWaalsContact CZ-OD2 3.26Å; R13-D59 IonicContact NH1-OD2 2.72Å; R13-D59 PolarHBondContact NH1-OD2 3.5Å; R13-D59 IonicContact NH2-OD2 3.31Å; R13-D59 PolarHBondContact NH2-OD2 2.85Å
14V71.8Confident69.9Low94 Ų9465.6 Ų65.657%0.5732%0.319SS*.Hα-helixtrans-72.6-44.4-177.9-178.20000110.7F12 S17 D18F12-V14 PolarHBondContact O-N 3.45Å; F12-V14 VanDerWaalsContact O-N 3.16Å; V14-S17 WeakPolarHBondContact CA-OG 3.26Å; V14-S17 PolarHBondContact O-N 2.93Å; V14-S17 PolarHBondContact O-OG 3.29Å; V14-D18 PolarHBondContact O-N 3.04Å
15Q69.3Low69.7Low103 Ų10366.8 Ų66.848%0.48133%0.331SS..Hα-helixtrans-65.8-48.7178.2-73.1-174.16.500111.9F12 S17 D18 Q19F12-Q15 HydrophobicContact CD1-CB 4.37Å; F12-Q15 VanDerWaalsContact CE1-OE1 3.26Å; F12-Q15 PolarHBondContact O-N 2.96Å; F12-Q15 VanDerWaalsContact O-N 3.13Å; Q15-S17 VanDerWaalsContact C-N 3.26Å; Q15-S17 PolarHBondContact O-N 3.35Å; Q15-D18 PolarHBondContact O-N 3.33Å; Q15-D18 VanDerWaalsContact O-N 3.12Å; Q15-Q19 WeakPolarHBondContact O-CB 3.25Å; Q15-Q19 PolarHBondContact O-N 3.28Å
16L73Confident69.9Low7 Ų765.9 Ų65.94%0.03733%0.327CS..Hα-helixtrans-61.3-35.6175.6-67.7171.9000111.4L9 F12 D18 L20 L58 I82 L86L9-L16 HydrophobicContact CD2-CD1 4.32Å; F12-L16 HydrophobicContact CB-CD1 3.75Å; F12-L16 HydrophobicContact CB-CG 3.97Å; F12-L16 VanDerWaalsContact O-CB 3.32Å; F12-L16 WeakPolarHBondContact O-CB 3.14Å; F12-L16 VanDerWaalsContact O-CG 3.32Å; F12-L16 WeakPolarHBondContact O-CG 3.47Å; F12-L16 PolarHBondContact O-N 3.01Å; L16-D18 PolarHBondContact O-N 2.82Å; L16-L20 HydrophobicContact CD2-CD1 4.31Å; L16-L20 WeakPolarHBondContact O-CA 3.42Å; L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 PolarHBondContact O-N 3.05Å; L16-L58 HydrophobicContact CB-CD1 3.73Å; L16-L58 HydrophobicContact CB-CD2 4.4Å; L16-L58 HydrophobicContact CD1-CD1 4.46Å; L16-L58 HydrophobicContact CD1-CD2 3.73Å; L16-I82 HydrophobicContact CD2-CG2 3.27Å; L16-L86 HydrophobicContact CD1-CD1 4.13Å; L16-L86 HydrophobicContact CD2-CD1 4.27Å
17S72.7Confident70.2Confident3 Ų360.7 Ų60.72%0.02131%0.308CS..Hα-helixtrans-65.5-24.4178.465.30000114.3R13 V14 Q15 R51 N54R13-S17 WeakPolarHBondContact O-CB 3.49Å; R13-S17 PolarHBondContact O-N 3.33Å; R13-S17 PolarHBondContact O-OG 2.81Å; R13-S17 VanDerWaalsContact O-OG 3.1Å; V14-S17 WeakPolarHBondContact CA-OG 3.26Å; V14-S17 PolarHBondContact O-N 2.93Å; V14-S17 PolarHBondContact O-OG 3.29Å; Q15-S17 VanDerWaalsContact C-N 3.26Å; Q15-S17 PolarHBondContact O-N 3.35Å; S17-R51 WeakPolarHBondContact O-CA 3.42Å; S17-R51 WeakPolarHBondContact O-CG 3.46Å; S17-N54 PolarHBondContact O-ND2 2.98Å
18D68.8Low70.6Confident125 Ų12561.7 Ų61.767%0.66831%0.311SS*.Hα-helixtrans-97-43.7-178.3-150.2-111.3000111.7V14 Q15 L16V14-D18 PolarHBondContact O-N 3.04Å; Q15-D18 PolarHBondContact O-N 3.33Å; Q15-D18 VanDerWaalsContact O-N 3.12Å; L16-D18 PolarHBondContact O-N 2.82Å
19Q64.6Low70.9Confident66 Ų6664.7 Ų64.731%0.30832%0.323SS..Hα-helixtrans-90.5-23.1-175.7-67.9-170.6-26.600114.3Q15 L21 W81 D207Q15-Q19 WeakPolarHBondContact O-CB 3.25Å; Q15-Q19 PolarHBondContact O-N 3.28Å; Q19-L21 PolarHBondContact O-N 3.08Å; Q19-W81 HydrophobicContact CB-CH2 4.09Å; Q19-W81 VanDerWaalsContact OE1-CH2 3.32Å; Q19-D207 PolarHBondContact NE2-OD1 3.11Å
20L65.3Low71.1Confident3 Ų364.4 Ų64.42%0.01632%0.322CS..  trans-77.9106.9174-155.198.2000107.6L16 I22 I26 N54 L76 I82L16-L20 HydrophobicContact CD2-CD1 4.31Å; L16-L20 WeakPolarHBondContact O-CA 3.42Å; L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 PolarHBondContact O-N 3.05Å; L20-I22 HydrophobicContact CD2-CG1 4.03Å; L20-I22 PolarHBondContact O-N 3.21Å; L20-I26 HydrophobicContact CD2-CD1 3.9Å; L20-I26 HydrophobicContact CG-CD1 4.34Å; L20-N54 WeakPolarHBondContact CD2-OD1 3.25Å; L20-N54 PolarHBondContact O-ND2 2.87Å; L20-L76 HydrophobicContact CD1-CD2 3.37Å; L20-I82 HydrophobicContact CD1-CD1 3.55Å; L20-I82 HydrophobicContact CD1-CG2 4.3Å
21L62.7Low71.5Confident114 Ų11460 Ų6060%0.59731%0.306SS*.  trans-69.5115.3155.9-79.7143.5000105.6Q19 S23Q19-L21 PolarHBondContact O-N 3.08Å; L21-S23 PolarHBondContact O-N 3.31Å
22I61.8Low71.9Confident18 Ų1861 Ų619%0.09231%0.313CS..  trans-64.889.9160.6-72.9172.9000104.9L20 V27 V44 K53 N54 L57L20-I22 HydrophobicContact CD2-CG1 4.03Å; L20-I22 PolarHBondContact O-N 3.21Å; I22-V27 HydrophobicContact CG2-CG2 3.68Å; I22-V44 HydrophobicContact CD1-CG1 4.42Å; I22-K53 HydrophobicContact CD1-CB 3.53Å; I22-N54 HydrophobicContact CD1-CB 4.14Å; I22-N54 VanDerWaalsContact CD1-N 3.26Å; I22-N54 WeakPolarHBondContact CD1-OD1 3.29Å; I22-N54 WeakPolarHBondContact CG1-OD1 3.39Å; I22-L57 HydrophobicContact CD1-CB 4.47Å; I22-L57 HydrophobicContact CD1-CD2 4.4Å
23S55.9Low72.4Confident45 Ų4565 Ų6532%0.31533%0.332SS..  trans-58.9139.4160.4-670000106.1L21 T25 I26L21-S23 PolarHBondContact O-N 3.31Å; S23-T25 WeakPolarHBondContact CB-OG1 3.48Å; S23-T25 PolarHBondContact O-N 3.45Å; S23-I26 PolarHBondContact O-N 3.46Å
24D62.2Low72.5Confident127 Ų12764.7 Ų64.768%0.67935%0.349SS*.THydrogen-bonded Turntrans-52.3-3.9174.1-149-106.9000113P28D24-P28 WeakPolarHBondContact O-CD 3.3Å; D24-P28 WeakPolarHBondContact O-CG 3.39Å
25T67.3Low73Confident92 Ų9260.7 Ų60.756%0.56433%0.325SS*.THydrogen-bonded Turntrans-92.6-28.5177.546.90000115S23 F29S23-T25 WeakPolarHBondContact CB-OG1 3.48Å; S23-T25 PolarHBondContact O-N 3.45Å; T25-F29 VanDerWaalsContact O-CB 3.24Å; T25-F29 WeakPolarHBondContact O-CB 3.29Å; T25-F29 PolarHBondContact O-N 2.83Å; T25-F29 VanDerWaalsContact O-N 3.17Å
26I78.1Confident73.6Confident2 Ų256 Ų561%0.0130%0.303CS..Hα-helixtrans-71.3-46.2-174.8-65.1171.5000110.9L20 S23 F29 L30 L57 A75 L76 F79L20-I26 HydrophobicContact CD2-CD1 3.9Å; L20-I26 HydrophobicContact CG-CD1 4.34Å; S23-I26 PolarHBondContact O-N 3.46Å; I26-F29 PolarHBondContact O-N 3.19Å; I26-L30 HydrophobicContact CG2-CD1 3.77Å; I26-L30 HydrophobicContact CG2-CG 4.42Å; I26-L30 WeakPolarHBondContact O-CB 3.33Å; I26-L30 VanDerWaalsContact O-CG 3.28Å; I26-L30 WeakPolarHBondContact O-CG 3.17Å; I26-L30 PolarHBondContact O-N 2.97Å; I26-L57 HydrophobicContact CG2-CD2 4.31Å; I26-A75 HydrophobicContact CG2-CB 4.04Å; I26-L76 HydrophobicContact CD1-CD2 4.48Å; I26-F79 HydrophobicContact CD1-CD2 4.3Å; I26-F79 HydrophobicContact CD1-CE2 3.84Å; I26-F79 HydrophobicContact CG1-CE2 4.48Å
27V79.9Confident74.2Confident4 Ų458.6 Ų58.62%0.02432%0.319CS..Hα-helixtrans-63.6-49.6-178.6-179.40000112.1I22 F29 L30 Y31 L36 V41 V44I22-V27 HydrophobicContact CG2-CG2 3.68Å; V27-F29 VanDerWaalsContact C-N 3.33Å; V27-F29 PolarHBondContact O-N 3.25Å; V27-L30 PolarHBondContact O-N 2.89Å; V27-Y31 PolarHBondContact O-N 3.31Å; V27-L36 HydrophobicContact CG1-CD1 4.14Å; V27-V41 HydrophobicContact CG1-CB 4.03Å; V27-V41 HydrophobicContact CG1-CG1 3.57Å; V27-V41 HydrophobicContact CG1-CG2 3.79Å; V27-V44 HydrophobicContact CG2-CG1 4.1Å
28P80.8Confident74.7Confident65 Ų6564.5 Ų64.542%0.42235%0.346SS..Hα-helixtrans-67-31.7176.623.8-32.8000113.1D24 Y31 Q32D24-P28 WeakPolarHBondContact O-CD 3.3Å; D24-P28 WeakPolarHBondContact O-CG 3.39Å; P28-Y31 PolarHBondContact O-N 3.36Å; P28-Q32 WeakPolarHBondContact O-CB 3.48Å; P28-Q32 PolarHBondContact O-N 3.44Å
29F82.6Confident75.5Confident64 Ų6461.6 Ų61.628%0.28134%0.34SS..Hα-helixtrans-63-46.7173.1-175.7-88.2000111.4T25 I26 V27 Y31 Q32 E33 E74 A75T25-F29 VanDerWaalsContact O-CB 3.24Å; T25-F29 WeakPolarHBondContact O-CB 3.29Å; T25-F29 PolarHBondContact O-N 2.83Å; T25-F29 VanDerWaalsContact O-N 3.17Å; I26-F29 PolarHBondContact O-N 3.19Å; V27-F29 VanDerWaalsContact C-N 3.33Å; V27-F29 PolarHBondContact O-N 3.25Å; F29-Y31 VanDerWaalsContact C-N 3.28Å; F29-Y31 PolarHBondContact O-N 2.85Å; F29-Q32 PolarHBondContact O-N 2.69Å; F29-E33 HydrophobicContact CD1-CG 4.23Å; F29-E33 HydrophobicContact CE1-CG 3.78Å; F29-E33 HydrophobicContact CZ-CG 4.09Å; F29-E33 PolarHBondContact O-N 2.93Å; F29-E74 HydrophobicContact CE1-CB 3.82Å; F29-E74 HydrophobicContact CZ-CB 3.9Å; F29-A75 HydrophobicContact CD1-CB 3.54Å; F29-A75 HydrophobicContact CE1-CB 4.09Å; F29-A75 HydrophobicContact CG-CB 4.28Å
30L82.5Confident76.3Confident0 Ų060.3 Ų60.30%033%0.334CS..Hα-helixtrans-66.1-29.9177-72.2169.7000113I26 V27 V35 L36 L57 A71 F72 A75I26-L30 HydrophobicContact CG2-CD1 3.77Å; I26-L30 HydrophobicContact CG2-CG 4.42Å; I26-L30 WeakPolarHBondContact O-CB 3.33Å; I26-L30 VanDerWaalsContact O-CG 3.28Å; I26-L30 WeakPolarHBondContact O-CG 3.17Å; I26-L30 PolarHBondContact O-N 2.97Å; V27-L30 PolarHBondContact O-N 2.89Å; L30-V35 HydrophobicContact CB-CB 4.42Å; L30-V35 HydrophobicContact CD2-CB 4.16Å; L30-V35 HydrophobicContact CD2-CG1 4.22Å; L30-V35 HydrophobicContact CD2-CG2 4.22Å; L30-V35 WeakPolarHBondContact O-CA 3.09Å; L30-V35 VanDerWaalsContact O-CB 3.32Å; L30-V35 WeakPolarHBondContact O-CB 3.44Å; L30-V35 PolarHBondContact O-N 3.08Å; L30-L36 HydrophobicContact CB-CD1 3.57Å; L30-L36 HydrophobicContact CB-CG 3.82Å; L30-L36 HydrophobicContact CD1-CD1 4.04Å; L30-L36 HydrophobicContact CG-CD1 4.48Å; L30-L36 PolarHBondContact O-N 2.81Å; L30-L57 HydrophobicContact CD1-CD1 3.83Å; L30-L57 HydrophobicContact CD1-CD2 4.16Å; L30-L57 HydrophobicContact CD1-CG 4.41Å; L30-A71 HydrophobicContact CD2-CB 4.39Å; L30-F72 HydrophobicContact CD1-CD2 4.17Å; L30-F72 HydrophobicContact CD2-CB 4.28Å; L30-A75 HydrophobicContact CD2-CB 4.36Å; L30-A75 HydrophobicContact CG-CB 4.24Å
31Y83.7Confident77.2Confident107 Ų10761.4 Ų61.442%0.4234%0.34SS..Hα-helixtrans-68.4-44.7170.8178.5-112.9000111.6V27 P28 F29 E33 G34 L36 E38 V41V27-Y31 PolarHBondContact O-N 3.31Å; P28-Y31 PolarHBondContact O-N 3.36Å; F29-Y31 VanDerWaalsContact C-N 3.28Å; F29-Y31 PolarHBondContact O-N 2.85Å; Y31-E33 VanDerWaalsContact C-N 3.34Å; Y31-E33 PolarHBondContact O-N 3.15Å; Y31-G34 WeakPolarHBondContact O-CA 3.34Å; Y31-G34 PolarHBondContact O-N 3.05Å; Y31-L36 WeakPolarHBondContact CD2-O 3.33Å; Y31-E38 HydrophobicContact CE2-CB 3.94Å; Y31-V41 HydrophobicContact CD2-CG2 4.02Å; Y31-V41 HydrophobicContact CG-CG2 4.15Å
32Q83.1Confident78.2Confident159 Ų15962 Ų6274%0.74334%0.34SS*.Hα-helixtrans-63.8-38179.1-173.5162.166.300112.5P28 F29 G34P28-Q32 WeakPolarHBondContact O-CB 3.48Å; P28-Q32 PolarHBondContact O-N 3.44Å; F29-Q32 PolarHBondContact O-N 2.69Å; Q32-G34 PolarHBondContact O-N 3.09Å
33E79.9Confident79.3Confident102 Ų10266.6 Ų66.648%0.47736%0.361SS..THydrogen-bonded Turntrans-72.6-0.8172.5-76.4-63106.400113.5F29 Y31 V35 A71F29-E33 HydrophobicContact CD1-CG 4.23Å; F29-E33 HydrophobicContact CE1-CG 3.78Å; F29-E33 HydrophobicContact CZ-CG 4.09Å; F29-E33 PolarHBondContact O-N 2.93Å; Y31-E33 VanDerWaalsContact C-N 3.34Å; Y31-E33 PolarHBondContact O-N 3.15Å; E33-V35 HydrophobicContact CB-CG2 4Å; E33-V35 PolarHBondContact O-N 3.32Å; E33-A71 HydrophobicContact CB-CB 4.06Å; E33-A71 HydrophobicContact CG-CB 4.26Å
34G76.6Confident80.6Confident58 Ų5864.5 Ų64.560%0.59835%0.346SS*.THydrogen-bonded Turntrans69.917179.900000114Y31 Q32Y31-G34 WeakPolarHBondContact O-CA 3.34Å; Y31-G34 PolarHBondContact O-N 3.05Å; Q32-G34 PolarHBondContact O-N 3.09Å
35V82.8Confident81.5Confident11 Ų1162.5 Ų62.57%0.06733%0.333CS..SBendtrans-78.2-43.9177.3-177.70000110.4L30 E33 L61 R64 A68 A71L30-V35 HydrophobicContact CB-CB 4.42Å; L30-V35 HydrophobicContact CD2-CB 4.16Å; L30-V35 HydrophobicContact CD2-CG1 4.22Å; L30-V35 HydrophobicContact CD2-CG2 4.22Å; L30-V35 WeakPolarHBondContact O-CA 3.09Å; L30-V35 VanDerWaalsContact O-CB 3.32Å; L30-V35 WeakPolarHBondContact O-CB 3.44Å; L30-V35 PolarHBondContact O-N 3.08Å; E33-V35 HydrophobicContact CB-CG2 4Å; E33-V35 PolarHBondContact O-N 3.32Å; V35-L61 HydrophobicContact CG1-CD2 4.15Å; V35-R64 HydrophobicContact CG1-CB 4.31Å; V35-R64 WeakPolarHBondContact O-CD 3.44Å; V35-R64 WeakPolarHBondContact O-CG 3.46Å; V35-R64 PolarHBondContact O-NE 2.95Å; V35-A68 HydrophobicContact CG1-CB 3.54Å; V35-A71 HydrophobicContact CG2-CB 3.39Å
36L81.6Confident82.1Confident4 Ų461 Ų612%0.02134%0.336CS..SBendtrans-100.3145.8174.6-62.7173.9000110V27 L30 Y31 V41 L57V27-L36 HydrophobicContact CG1-CD1 4.14Å; L30-L36 HydrophobicContact CB-CD1 3.57Å; L30-L36 HydrophobicContact CB-CG 3.82Å; L30-L36 HydrophobicContact CD1-CD1 4.04Å; L30-L36 HydrophobicContact CG-CD1 4.48Å; L30-L36 PolarHBondContact O-N 2.81Å; Y31-L36 WeakPolarHBondContact CD2-O 3.33Å; L36-V41 HydrophobicContact CB-CG2 3.97Å; L36-V41 HydrophobicContact CD1-CG2 4.27Å; L36-L57 HydrophobicContact CD1-CD1 3.63Å; L36-L57 HydrophobicContact CD2-CD1 4.18Å; L36-L57 HydrophobicContact CG-CD1 4.46Å
37T84.6Confident82.4Confident62 Ų6263 Ų6338%0.3835%0.345SS..  trans-93.5156.2167.842.90000109.9A39 Q40 V41 R64T37-A39 VanDerWaalsContact C-N 3.31Å; T37-A39 PolarHBondContact O-N 3.28Å; T37-Q40 WeakPolarHBondContact O-CA 3.46Å; T37-Q40 WeakPolarHBondContact O-CB 3.39Å; T37-Q40 PolarHBondContact O-N 3.49Å; T37-V41 PolarHBondContact O-N 2.96Å; T37-R64 PolarHBondContact OG1-NH2 3.45Å
38E84.3Confident82.1Confident126 Ų12670.9 Ų70.959%0.58939%0.386SS*.Hα-helixtrans-50.3-49.5179.5-174.8175.672.400112.2Y31 Q40 V41 E42Y31-E38 HydrophobicContact CE2-CB 3.94Å; E38-Q40 PolarHBondContact O-N 2.83Å; E38-V41 WeakPolarHBondContact O-CB 3.35Å; E38-V41 PolarHBondContact O-N 3.19Å; E38-E42 PolarHBondContact O-N 3.48Å
39A84.8Confident82Confident64 Ų6471.3 Ų71.353%0.52939%0.388SS..Hα-helixtrans-57.1-29175.900000114T37 Q43T37-A39 VanDerWaalsContact C-N 3.31Å; T37-A39 PolarHBondContact O-N 3.28Å; A39-Q43 WeakPolarHBondContact O-CG 3.14Å; A39-Q43 PolarHBondContact O-N 3.47Å; A39-Q43 VanDerWaalsContact O-N 3.13Å
40Q80.9Confident81.7Confident39 Ų3972.1 Ų72.118%0.18240%0.395CS..Hα-helixtrans-84-34177.6-77-169.1-12.900112.8T37 E38 E42 Q43 V44 L60T37-Q40 WeakPolarHBondContact O-CA 3.46Å; T37-Q40 WeakPolarHBondContact O-CB 3.39Å; T37-Q40 PolarHBondContact O-N 3.49Å; E38-Q40 PolarHBondContact O-N 2.83Å; Q40-E42 VanDerWaalsContact C-N 3.3Å; Q40-Q43 PolarHBondContact O-N 3.33Å; Q40-V44 WeakPolarHBondContact O-CB 3.16Å; Q40-V44 VanDerWaalsContact O-CG2 3.26Å; Q40-V44 WeakPolarHBondContact O-CG2 3.35Å; Q40-V44 PolarHBondContact O-N 3.32Å; Q40-L60 HydrophobicContact CB-CD1 3.98Å; Q40-L60 HydrophobicContact CG-CD1 3.98Å; Q40-L60 HydrophobicContact CG-CD2 4.49Å
41V84.3Confident81.5Confident26 Ų2678.4 Ų78.416%0.15842%0.419CS..Hα-helixtrans-57.5-49.6168.7170.20000108.7V27 Y31 L36 T37 E38 Q43 V44 E45V27-V41 HydrophobicContact CG1-CB 4.03Å; V27-V41 HydrophobicContact CG1-CG1 3.57Å; V27-V41 HydrophobicContact CG1-CG2 3.79Å; Y31-V41 HydrophobicContact CD2-CG2 4.02Å; Y31-V41 HydrophobicContact CG-CG2 4.15Å; L36-V41 HydrophobicContact CB-CG2 3.97Å; L36-V41 HydrophobicContact CD1-CG2 4.27Å; T37-V41 PolarHBondContact O-N 2.96Å; E38-V41 WeakPolarHBondContact O-CB 3.35Å; E38-V41 PolarHBondContact O-N 3.19Å; V41-Q43 VanDerWaalsContact C-N 3.34Å; V41-Q43 PolarHBondContact O-N 2.97Å; V41-V44 PolarHBondContact O-N 2.87Å; V41-V44 VanDerWaalsContact O-N 3.11Å; V41-E45 HydrophobicContact CG1-CG 3.97Å; V41-E45 VanDerWaalsContact O-CB 3.25Å; V41-E45 WeakPolarHBondContact O-CB 3.39Å; V41-E45 WeakPolarHBondContact O-CG 3.47Å; V41-E45 PolarHBondContact O-N 3.08Å
42E85.5Confident81.4Confident127 Ų12777.7 Ų77.759%0.59342%0.419SS*.Hα-helixtrans-59.4-40.6175.3-75.5-179.68500113.1E38 Q40 V44 G46E38-E42 PolarHBondContact O-N 3.48Å; Q40-E42 VanDerWaalsContact C-N 3.3Å; E42-V44 VanDerWaalsContact C-N 3.31Å; E42-V44 PolarHBondContact O-N 2.94Å; E42-G46 PolarHBondContact O-N 3.38Å
43Q83.6Confident81.3Confident115 Ų11571.9 Ų71.954%0.53739%0.392SS..Hα-helixtrans-64.2-35.5176.3-68.7-113.6-50.400113A39 Q40 V41 Q47A39-Q43 WeakPolarHBondContact O-CG 3.14Å; A39-Q43 PolarHBondContact O-N 3.47Å; A39-Q43 VanDerWaalsContact O-N 3.13Å; Q40-Q43 PolarHBondContact O-N 3.33Å; V41-Q43 VanDerWaalsContact C-N 3.34Å; V41-Q43 PolarHBondContact O-N 2.97Å; Q43-Q47 PolarHBondContact O-NE2 3.31Å
44V83.8Confident81.3Confident0 Ų067 Ų670%037%0.369CS..Hα-helixtrans-75.4-50.4177.6171.70000109.4I22 V27 Q40 V41 E42 G46 Q47 K53 K56 L57 L60I22-V44 HydrophobicContact CD1-CG1 4.42Å; V27-V44 HydrophobicContact CG2-CG1 4.1Å; Q40-V44 WeakPolarHBondContact O-CB 3.16Å; Q40-V44 VanDerWaalsContact O-CG2 3.26Å; Q40-V44 WeakPolarHBondContact O-CG2 3.35Å; Q40-V44 PolarHBondContact O-N 3.32Å; V41-V44 PolarHBondContact O-N 2.87Å; V41-V44 VanDerWaalsContact O-N 3.11Å; E42-V44 VanDerWaalsContact C-N 3.31Å; E42-V44 PolarHBondContact O-N 2.94Å; V44-G46 VanDerWaalsContact C-N 3.28Å; V44-G46 PolarHBondContact O-N 2.88Å; V44-Q47 WeakPolarHBondContact O-CG 3.38Å; V44-Q47 PolarHBondContact O-N 3.3Å; V44-Q47 VanDerWaalsContact O-N 3.15Å; V44-K53 HydrophobicContact CG1-CB 4.03Å; V44-K53 VanDerWaalsContact O-CG 3.23Å; V44-K53 WeakPolarHBondContact O-CG 3.18Å; V44-K56 HydrophobicContact CG2-CB 4.19Å; V44-L57 HydrophobicContact CG2-CD1 4.49Å; V44-L60 HydrophobicContact CG2-CD1 4.03Å
45E80.9Confident81.4Confident86 Ų8666.1 Ų66.140%0.40235%0.35SS..Hα-helixtrans-58.9-36.8178.2-73.5-99.167.600113V41 Q47 K53V41-E45 HydrophobicContact CG1-CG 3.97Å; V41-E45 VanDerWaalsContact O-CB 3.25Å; V41-E45 WeakPolarHBondContact O-CB 3.39Å; V41-E45 WeakPolarHBondContact O-CG 3.47Å; V41-E45 PolarHBondContact O-N 3.08Å; E45-Q47 PolarHBondContact O-N 2.91Å; E45-K53 WeakPolarHBondContact O-CE 3.3Å; E45-K53 PolarHBondContact O-NZ 3.17Å; E45-K53 VanDerWaalsContact O-NZ 3.12Å; E45-K53 IonicContact OE1-NZ 3.89Å; E45-K53 PolarHBondContact OE1-NZ 3.27Å
46G80.9Confident81.5Confident60 Ų6069.5 Ų69.562%0.61936%0.364SS*.THydrogen-bonded Turntrans-71.6-3.1178.500000115.1E42 V44E42-G46 PolarHBondContact O-N 3.38Å; V44-G46 VanDerWaalsContact C-N 3.28Å; V44-G46 PolarHBondContact O-N 2.88Å
47Q83.8Confident81.5Confident43 Ų4369.3 Ų69.320%0.20136%0.363CS..  trans-76.7139.2174.2-51.1-63.8-51.600111.7Q43 V44 E45 T49 Q52 K53 K56Q43-Q47 PolarHBondContact O-NE2 3.31Å; V44-Q47 WeakPolarHBondContact O-CG 3.38Å; V44-Q47 PolarHBondContact O-N 3.3Å; V44-Q47 VanDerWaalsContact O-N 3.15Å; E45-Q47 PolarHBondContact O-N 2.91Å; Q47-T49 VanDerWaalsContact C-N 3.32Å; Q47-T49 PolarHBondContact O-N 3.16Å; Q47-Q52 HydrophobicContact CB-CB 3.75Å; Q47-Q52 HydrophobicContact CG-CB 4.19Å; Q47-K53 HydrophobicContact CB-CB 4.5Å; Q47-K53 HydrophobicContact CB-CG 3.77Å; Q47-K53 HydrophobicContact CG-CG 4.45Å; Q47-K53 WeakPolarHBondContact O-CE 3.49Å; Q47-K56 HydrophobicContact CG-CB 4.5Å; Q47-K56 HydrophobicContact CG-CG 4.03Å
48L73.8Confident81.2Confident171 Ų17166.7 Ų66.790%0.89535%0.346SS*.SBendtrans-66.3-27-175.8-70.4165.2000114.5
49T78Confident80.9Confident73 Ų7364 Ų6445%0.44834%0.336SS..SBendtrans-131.1145.4-177.164.70000111.3Q47 R51 Q52 K53Q47-T49 VanDerWaalsContact C-N 3.32Å; Q47-T49 PolarHBondContact O-N 3.16Å; T49-R51 PolarHBondContact O-N 2.98Å; T49-Q52 WeakPolarHBondContact O-CA 3.32Å; T49-Q52 WeakPolarHBondContact O-CB 3.32Å; T49-Q52 PolarHBondContact O-N 3.29Å; T49-Q52 VanDerWaalsContact OG1-CG 3.25Å; T49-Q52 WeakPolarHBondContact OG1-CG 3.41Å; T49-Q52 PolarHBondContact OG1-N 3.13Å; T49-K53 WeakPolarHBondContact O-CG 3.46Å; T49-K53 PolarHBondContact O-N 3.37Å
50N75.6Confident80.7Confident82 Ų8262.2 Ų62.244%0.43932%0.317SS..Hα-helixtrans-53.9-37.8178.1-70.1-42.2000112.5Q52 K53 N54N50-Q52 PolarHBondContact O-N 3.08Å; N50-K53 WeakPolarHBondContact O-CB 3.45Å; N50-K53 PolarHBondContact O-N 2.9Å; N50-N54 PolarHBondContact O-N 2.77Å; N50-N54 PolarHBondContact O-ND2 3.1Å
51R79.6Confident80.5Confident131 Ų13160.4 Ų60.449%0.49431%0.309SS..Hα-helixtrans-59.3-44.4173.9-172.3177.8-176.3-148.33.8112.7S17 T49 N54 L55S17-R51 WeakPolarHBondContact O-CA 3.42Å; S17-R51 WeakPolarHBondContact O-CG 3.46Å; T49-R51 PolarHBondContact O-N 2.98Å; R51-N54 WeakPolarHBondContact O-CB 3.36Å; R51-N54 PolarHBondContact O-N 3.21Å; R51-L55 HydrophobicContact CG-CD1 4.32Å; R51-L55 VanDerWaalsContact O-CG 3.3Å; R51-L55 WeakPolarHBondContact O-CG 3.47Å; R51-L55 PolarHBondContact O-N 2.86Å
52Q80.3Confident79.9Confident93 Ų9360.5 Ų60.544%0.43531%0.311SS..Hα-helixtrans-68.1-39.8176.2-71.6-114.19500111.7Q47 T49 N50 N54 L55 K56Q47-Q52 HydrophobicContact CB-CB 3.75Å; Q47-Q52 HydrophobicContact CG-CB 4.19Å; T49-Q52 WeakPolarHBondContact O-CA 3.32Å; T49-Q52 WeakPolarHBondContact O-CB 3.32Å; T49-Q52 PolarHBondContact O-N 3.29Å; T49-Q52 VanDerWaalsContact OG1-CG 3.25Å; T49-Q52 WeakPolarHBondContact OG1-CG 3.41Å; T49-Q52 PolarHBondContact OG1-N 3.13Å; N50-Q52 PolarHBondContact O-N 3.08Å; Q52-N54 VanDerWaalsContact C-N 3.29Å; Q52-N54 PolarHBondContact O-N 3.04Å; Q52-L55 PolarHBondContact O-N 3.46Å; Q52-K56 WeakPolarHBondContact O-CB 3.32Å; Q52-K56 PolarHBondContact O-N 2.84Å
53K82.2Confident79.2Confident37 Ų3760.3 Ų60.316%0.16131%0.314CS..Hα-helixtrans-53.7-48.8172.5-60.7-163.4168.2-168.30110.3I22 V44 E45 Q47 T49 N50 K56 L57I22-K53 HydrophobicContact CD1-CB 3.53Å; V44-K53 HydrophobicContact CG1-CB 4.03Å; V44-K53 VanDerWaalsContact O-CG 3.23Å; V44-K53 WeakPolarHBondContact O-CG 3.18Å; E45-K53 WeakPolarHBondContact O-CE 3.3Å; E45-K53 PolarHBondContact O-NZ 3.17Å; E45-K53 VanDerWaalsContact O-NZ 3.12Å; E45-K53 IonicContact OE1-NZ 3.89Å; E45-K53 PolarHBondContact OE1-NZ 3.27Å; Q47-K53 HydrophobicContact CB-CB 4.5Å; Q47-K53 HydrophobicContact CB-CG 3.77Å; Q47-K53 HydrophobicContact CG-CG 4.45Å; Q47-K53 WeakPolarHBondContact O-CE 3.49Å; T49-K53 WeakPolarHBondContact O-CG 3.46Å; T49-K53 PolarHBondContact O-N 3.37Å; N50-K53 WeakPolarHBondContact O-CB 3.45Å; N50-K53 PolarHBondContact O-N 2.9Å; K53-K56 PolarHBondContact O-N 2.82Å; K53-L57 PolarHBondContact O-N 2.98Å
54N79.7Confident78.5Confident0 Ų059.1 Ų59.10%030%0.304CS..Hα-helixtrans-62.7-48.9177.7-89.2-43.6000113.5S17 L20 I22 N50 R51 Q52 K56 L57 L58S17-N54 PolarHBondContact O-ND2 2.98Å; L20-N54 WeakPolarHBondContact CD2-OD1 3.25Å; L20-N54 PolarHBondContact O-ND2 2.87Å; I22-N54 HydrophobicContact CD1-CB 4.14Å; I22-N54 VanDerWaalsContact CD1-N 3.26Å; I22-N54 WeakPolarHBondContact CD1-OD1 3.29Å; I22-N54 WeakPolarHBondContact CG1-OD1 3.39Å; N50-N54 PolarHBondContact O-N 2.77Å; N50-N54 PolarHBondContact O-ND2 3.1Å; R51-N54 WeakPolarHBondContact O-CB 3.36Å; R51-N54 PolarHBondContact O-N 3.21Å; Q52-N54 VanDerWaalsContact C-N 3.29Å; Q52-N54 PolarHBondContact O-N 3.04Å; N54-K56 PolarHBondContact O-N 3.06Å; N54-L57 PolarHBondContact O-N 2.95Å; N54-L57 VanDerWaalsContact O-N 3.17Å; N54-L58 HydrophobicContact CB-CD1 4.38Å; N54-L58 VanDerWaalsContact O-CB 3.3Å; N54-L58 WeakPolarHBondContact O-CB 3.44Å; N54-L58 WeakPolarHBondContact O-CD1 3.18Å; N54-L58 WeakPolarHBondContact O-CG 3.39Å; N54-L58 PolarHBondContact O-N 3.32Å
55L79.4Confident77.5Confident39 Ų3960 Ų6020%0.20431%0.313CS..Hα-helixtrans-59.5-34.9-180-74.6171.3000111.2R13 R51 Q52 D59R13-L55 HydrophobicContact CG-CD2 3.63Å; R13-L55 PolarHBondContact NH2-O 3.14Å; R51-L55 HydrophobicContact CG-CD1 4.32Å; R51-L55 VanDerWaalsContact O-CG 3.3Å; R51-L55 WeakPolarHBondContact O-CG 3.47Å; R51-L55 PolarHBondContact O-N 2.86Å; Q52-L55 PolarHBondContact O-N 3.46Å; L55-D59 WeakPolarHBondContact O-CB 3.34Å; L55-D59 PolarHBondContact O-N 3.38Å
56K82.9Confident76.7Confident81 Ų8159.7 Ų59.735%0.35232%0.318SS..Hα-helixtrans-70.1-49.2173.4-81.9-70.9-175.21750111.9V44 Q47 Q52 K53 N54 L58 D59 L60V44-K56 HydrophobicContact CG2-CB 4.19Å; Q47-K56 HydrophobicContact CG-CB 4.5Å; Q47-K56 HydrophobicContact CG-CG 4.03Å; Q52-K56 WeakPolarHBondContact O-CB 3.32Å; Q52-K56 PolarHBondContact O-N 2.84Å; K53-K56 PolarHBondContact O-N 2.82Å; N54-K56 PolarHBondContact O-N 3.06Å; K56-L58 VanDerWaalsContact C-N 3.33Å; K56-L58 PolarHBondContact O-N 3.27Å; K56-D59 WeakPolarHBondContact O-CB 3.38Å; K56-D59 PolarHBondContact O-N 3.39Å; K56-D59 VanDerWaalsContact O-N 3.08Å; K56-L60 VanDerWaalsContact O-CG 3.29Å; K56-L60 WeakPolarHBondContact O-CG 3.38Å; K56-L60 PolarHBondContact O-N 3.2Å; K56-L60 VanDerWaalsContact O-N 3.09Å
57L81.9Confident76.2Confident0 Ų067 Ų670%033%0.327CS..Hα-helixtrans-53.9-50176.5-172.480.6000111.7I22 I26 L30 L36 V44 K53 N54 D59 L60 L61 F72I22-L57 HydrophobicContact CD1-CB 4.47Å; I22-L57 HydrophobicContact CD1-CD2 4.4Å; I26-L57 HydrophobicContact CG2-CD2 4.31Å; L30-L57 HydrophobicContact CD1-CD1 3.83Å; L30-L57 HydrophobicContact CD1-CD2 4.16Å; L30-L57 HydrophobicContact CD1-CG 4.41Å; L36-L57 HydrophobicContact CD1-CD1 3.63Å; L36-L57 HydrophobicContact CD2-CD1 4.18Å; L36-L57 HydrophobicContact CG-CD1 4.46Å; V44-L57 HydrophobicContact CG2-CD1 4.49Å; K53-L57 PolarHBondContact O-N 2.98Å; N54-L57 PolarHBondContact O-N 2.95Å; N54-L57 VanDerWaalsContact O-N 3.17Å; L57-D59 PolarHBondContact O-N 3.32Å; L57-L60 PolarHBondContact O-N 2.86Å; L57-L60 VanDerWaalsContact O-N 3.08Å; L57-L61 WeakPolarHBondContact O-CG 3.03Å; L57-L61 PolarHBondContact O-N 3Å; L57-F72 HydrophobicContact CD2-CE2 3.97Å
58L78.7Confident75.9Confident7 Ų765 Ų654%0.03732%0.318CS..Hα-helixtrans-66-23.5-180-66.7163.4000113.1L9 R13 L16 N54 K56 L61 P62 F72L9-L58 HydrophobicContact CD2-CD2 3.98Å; R13-L58 HydrophobicContact CG-CB 4.43Å; R13-L58 HydrophobicContact CG-CD1 4.33Å; L16-L58 HydrophobicContact CB-CD1 3.73Å; L16-L58 HydrophobicContact CB-CD2 4.4Å; L16-L58 HydrophobicContact CD1-CD1 4.46Å; L16-L58 HydrophobicContact CD1-CD2 3.73Å; N54-L58 HydrophobicContact CB-CD1 4.38Å; N54-L58 VanDerWaalsContact O-CB 3.3Å; N54-L58 WeakPolarHBondContact O-CB 3.44Å; N54-L58 WeakPolarHBondContact O-CD1 3.18Å; N54-L58 WeakPolarHBondContact O-CG 3.39Å; N54-L58 PolarHBondContact O-N 3.32Å; K56-L58 VanDerWaalsContact C-N 3.33Å; K56-L58 PolarHBondContact O-N 3.27Å; L58-L61 HydrophobicContact CD2-CD1 4.25Å; L58-P62 WeakPolarHBondContact O-CD 3.5Å; L58-F72 HydrophobicContact CD2-CE1 4.47Å; L58-F72 HydrophobicContact CD2-CZ 4.22Å
59D79.3Confident76Confident70 Ų7057 Ų5737%0.37428%0.277SS..Hα-helixtrans-79.3-29.5173.5-154.4-108.4000112.5R13 L55 K56 L57 P62R13-D59 IonicContact CZ-OD2 3.79Å; R13-D59 VanDerWaalsContact CZ-OD2 3.26Å; R13-D59 IonicContact NH1-OD2 2.72Å; R13-D59 PolarHBondContact NH1-OD2 3.5Å; R13-D59 IonicContact NH2-OD2 3.31Å; R13-D59 PolarHBondContact NH2-OD2 2.85Å; L55-D59 WeakPolarHBondContact O-CB 3.34Å; L55-D59 PolarHBondContact O-N 3.38Å; K56-D59 WeakPolarHBondContact O-CB 3.38Å; K56-D59 PolarHBondContact O-N 3.39Å; K56-D59 VanDerWaalsContact O-N 3.08Å; L57-D59 PolarHBondContact O-N 3.32Å; D59-P62 WeakPolarHBondContact O-CD 3.38Å; D59-P62 WeakPolarHBondContact O-CG 3.37Å
60L79.2Confident76Confident26 Ų2657.2 Ų57.214%0.13628%0.28CS..Hα-helixtrans-83.5-37.8-178.2-66.1174.5000112.6Q40 V44 K56 L57 P62 N63Q40-L60 HydrophobicContact CB-CD1 3.98Å; Q40-L60 HydrophobicContact CG-CD1 3.98Å; Q40-L60 HydrophobicContact CG-CD2 4.49Å; V44-L60 HydrophobicContact CG2-CD1 4.03Å; K56-L60 VanDerWaalsContact O-CG 3.29Å; K56-L60 WeakPolarHBondContact O-CG 3.38Å; K56-L60 PolarHBondContact O-N 3.2Å; K56-L60 VanDerWaalsContact O-N 3.09Å; L57-L60 PolarHBondContact O-N 2.86Å; L57-L60 VanDerWaalsContact O-N 3.08Å; L60-P62 VanDerWaalsContact C-CD 3.48Å; L60-N63 PolarHBondContact O-N 3.17Å; L60-N63 VanDerWaalsContact O-N 3.08Å
61L77.5Confident76.4Confident1 Ų153.5 Ų53.51%0.00526%0.26CS..G310 helixtrans-46.6-47.2175.4-74.9172.7000114.4L9 V35 L57 L58 N63 R64 A68 F72L9-L61 HydrophobicContact CD1-CB 4.04Å; L9-L61 HydrophobicContact CD1-CD1 4.28Å; V35-L61 HydrophobicContact CG1-CD2 4.15Å; L57-L61 WeakPolarHBondContact O-CG 3.03Å; L57-L61 PolarHBondContact O-N 3Å; L58-L61 HydrophobicContact CD2-CD1 4.25Å; L61-N63 PolarHBondContact O-N 3.38Å; L61-N63 VanDerWaalsContact O-N 3.11Å; L61-R64 PolarHBondContact O-N 3.36Å; L61-R64 VanDerWaalsContact O-N 3.15Å; L61-A68 HydrophobicContact CD2-CB 4.13Å; L61-F72 HydrophobicContact CD1-CB 4.32Å; L61-F72 HydrophobicContact CD1-CD1 3.98Å; L61-F72 HydrophobicContact CD1-CD2 3.85Å; L61-F72 HydrophobicContact CD1-CE1 4.2Å; L61-F72 HydrophobicContact CD1-CE2 4.1Å; L61-F72 HydrophobicContact CD1-CG 3.79Å; L61-F72 HydrophobicContact CD1-CZ 4.26Å; L61-F72 HydrophobicContact CD2-CB 4.12Å; L61-F72 HydrophobicContact CD2-CG 4.42Å
62P71.4Confident76.5Confident29 Ų2947.2 Ų47.219%0.18824%0.237CC..G310 helixtrans-63.8-16.4-178.824-35.5000115.5M1 R6 L58 D59 L60M1-P62 VanDerWaalsContact SD-CA 3.56Å; M1-P62 HydrophobicContact SD-CB 4.3Å; R6-P62 HydrophobicContact CG-CB 3.9Å; R6-P62 VanDerWaalsContact CZ-O 3.28Å; R6-P62 PolarHBondContact NE-O 3.37Å; R6-P62 PolarHBondContact NH2-O 2.94Å; L58-P62 WeakPolarHBondContact O-CD 3.5Å; D59-P62 WeakPolarHBondContact O-CD 3.38Å; D59-P62 WeakPolarHBondContact O-CG 3.37Å; L60-P62 VanDerWaalsContact C-CD 3.48Å
63N71.6Confident76.4Confident123 Ų12343.8 Ų43.866%0.65822%0.221SC*.G310 helixtrans-94.1-7.7178.5-74-26.4000113.7R6 L60 L61R6-N63 PolarHBondContact NH2-OD1 3.06Å; L60-N63 PolarHBondContact O-N 3.17Å; L60-N63 VanDerWaalsContact O-N 3.08Å; L61-N63 PolarHBondContact O-N 3.38Å; L61-N63 VanDerWaalsContact O-N 3.11Å
64R67.4Low76.4Confident90 Ų9047.3 Ų47.334%0.3424%0.238SC..SBendtrans-96.4-8.5-171.4-67.1-66.6-177.2168.4-3115.2V35 T37 L61 A68V35-R64 HydrophobicContact CG1-CB 4.31Å; V35-R64 WeakPolarHBondContact O-CD 3.44Å; V35-R64 WeakPolarHBondContact O-CG 3.46Å; V35-R64 PolarHBondContact O-NE 2.95Å; T37-R64 PolarHBondContact OG1-NH2 3.45Å; L61-R64 PolarHBondContact O-N 3.36Å; L61-R64 VanDerWaalsContact O-N 3.15Å; R64-A68 HydrophobicContact CB-CB 3.59Å
65G64.3Low76.4Confident18 Ų1847.8 Ų47.819%0.18624%0.242CC..  trans98.3-177.5173.800000114.1R67 A68G65-R67 VanDerWaalsContact C-N 3.27Å; G65-R67 PolarHBondContact O-N 3.34Å; G65-A68 WeakPolarHBondContact O-CB 3.06Å; G65-A68 PolarHBondContact O-N 2.96Å
66P63.9Low76.3Confident79 Ų7946 Ų4651%0.51323%0.233SC..Hα-helixtrans-65.9-27.9-169.628.1-32.9000113.2A68 F69P66-A68 VanDerWaalsContact C-N 3.31Å; P66-A68 PolarHBondContact O-N 3.21Å; P66-F69 PolarHBondContact O-N 2.87Å
67R68.8Low75.7Confident213 Ų21351.2 Ų51.280%0.80425%0.25SS*.Hα-helixtrans-69-27.5176.6-71.1-172.3173.6-174.2-2.7113.6G65 F69 C70 A71G65-R67 VanDerWaalsContact C-N 3.27Å; G65-R67 PolarHBondContact O-N 3.34Å; R67-F69 PolarHBondContact O-N 3.12Å; R67-C70 PolarHBondContact O-N 3.36Å; R67-A71 WeakPolarHBondContact O-CB 3.45Å; R67-A71 PolarHBondContact O-N 3.25Å
68A78.6Confident74.8Confident2 Ų257.8 Ų57.82%0.01729%0.286CS..Hα-helixtrans-62.7-34.4179.300000112.2V35 L61 R64 G65 P66 F72V35-A68 HydrophobicContact CG1-CB 3.54Å; L61-A68 HydrophobicContact CD2-CB 4.13Å; R64-A68 HydrophobicContact CB-CB 3.59Å; G65-A68 WeakPolarHBondContact O-CB 3.06Å; G65-A68 PolarHBondContact O-N 2.96Å; P66-A68 VanDerWaalsContact C-N 3.31Å; P66-A68 PolarHBondContact O-N 3.21Å; A68-F72 WeakPolarHBondContact O-CB 3.28Å; A68-F72 PolarHBondContact O-N 2.81Å
69F76.6Confident74.4Confident4 Ų459.2 Ų59.22%0.01829%0.291CS..Hα-helixtrans-69.2-49.6176.2-168.2-106.1000111.2M1 H5 L9 P66 R67 A71 F72 L73 L86 L90M1-F69 HydrophobicContact CE-CB 4.01Å; M1-F69 HydrophobicContact CE-CD2 3.7Å; M1-F69 HydrophobicContact CE-CG 4.23Å; H5-F69 HydrophobicContact CB-CD2 4.14Å; H5-F69 HydrophobicContact CB-CE2 4.36Å; H5-F69 HydrophobicContact CB-CG 4.31Å; H5-F69 AromaticContact CD2-CD1 3.42Å; H5-F69 VanDerWaalsContact CD2-CD1 3.42Å; H5-F69 WeakPolarHBondContact CD2-CD1 3.33Å; H5-F69 AromaticContact CD2-CE1 3.26Å; H5-F69 WeakPolarHBondContact CD2-CE1 3.3Å; H5-F69 AromaticContact CD2-CE2 3.99Å; H5-F69 AromaticContact CD2-CG 3.85Å; H5-F69 AromaticContact CD2-CZ 3.58Å; H5-F69 AromaticContact NE2-CD1 3.49Å; H5-F69 WeakPolarHBondContact NE2-CD1 3.15Å; H5-F69 AromaticContact NE2-CE1 3.47Å; H5-F69 WeakPolarHBondContact NE2-CE1 3.4Å; L9-F69 HydrophobicContact CD1-CD2 4.39Å; L9-F69 HydrophobicContact CD2-CE2 4.45Å; L9-F69 HydrophobicContact CG-CD2 4.46Å; L9-F69 HydrophobicContact CG-CE2 4.33Å; P66-F69 PolarHBondContact O-N 2.87Å; R67-F69 PolarHBondContact O-N 3.12Å; F69-A71 PolarHBondContact O-N 3.33Å; F69-F72 WeakPolarHBondContact O-CB 3.46Å; F69-F72 PolarHBondContact O-N 3.39Å; F69-L73 HydrophobicContact CD1-CD1 3.79Å; F69-L73 HydrophobicContact CD1-CG 4.18Å; F69-L73 HydrophobicContact CE1-CD1 3.52Å; F69-L73 HydrophobicContact CE1-CD2 4.21Å; F69-L73 HydrophobicContact CE1-CG 4.01Å; F69-L73 HydrophobicContact CZ-CD1 4.29Å; F69-L73 HydrophobicContact CZ-CD2 4.16Å; F69-L73 HydrophobicContact CZ-CG 4.4Å; F69-L73 WeakPolarHBondContact O-CG 2.89Å; F69-L73 PolarHBondContact O-N 2.72Å; F69-L86 HydrophobicContact CE2-CD2 3.52Å; F69-L86 HydrophobicContact CZ-CB 4.39Å; F69-L86 HydrophobicContact CZ-CD2 3.84Å; F69-L90 HydrophobicContact CE1-CD2 4.49Å
70C77.8Confident73.8Confident76 Ų7657 Ų5751%0.51429%0.285SS..Hα-helixtrans-60.2-48178.5-62.50000112.1R67 F72 L73 E74R67-C70 PolarHBondContact O-N 3.36Å; C70-F72 VanDerWaalsContact C-N 3.28Å; C70-F72 PolarHBondContact O-N 3.24Å; C70-L73 CarbonylContact O-C 3.58Å; C70-L73 WeakPolarHBondContact O-CA 3.34Å; C70-L73 WeakPolarHBondContact O-CB 3.41Å; C70-L73 PolarHBondContact O-N 3.48Å; C70-L73 VanDerWaalsContact O-N 3.08Å; C70-E74 PolarHBondContact O-N 2.89Å
71A83.3Confident73.4Confident4 Ų460.1 Ų60.13%0.03330%0.295CS..Hα-helixtrans-65-32.4177.200000112.4L30 E33 V35 R67 F69 E74 A75L30-A71 HydrophobicContact CD2-CB 4.39Å; E33-A71 HydrophobicContact CB-CB 4.06Å; E33-A71 HydrophobicContact CG-CB 4.26Å; V35-A71 HydrophobicContact CG2-CB 3.39Å; R67-A71 WeakPolarHBondContact O-CB 3.45Å; R67-A71 PolarHBondContact O-N 3.25Å; F69-A71 PolarHBondContact O-N 3.33Å; A71-E74 PolarHBondContact O-N 3.32Å; A71-A75 WeakPolarHBondContact O-CB 3.3Å; A71-A75 PolarHBondContact O-N 3.17Å
72F81.7Confident73.3Confident0 Ų060.2 Ų60.20%030%0.296CS..Hα-helixtrans-66-42.8169.4-176.7-117.2000111.9L9 L30 L57 L58 L61 A68 F69 C70 E74 A75 L76 L86L9-F72 HydrophobicContact CD2-CD1 4.46Å; L9-F72 HydrophobicContact CD2-CE1 4.16Å; L30-F72 HydrophobicContact CD1-CD2 4.17Å; L30-F72 HydrophobicContact CD2-CB 4.28Å; L57-F72 HydrophobicContact CD2-CE2 3.97Å; L58-F72 HydrophobicContact CD2-CE1 4.47Å; L58-F72 HydrophobicContact CD2-CZ 4.22Å; L61-F72 HydrophobicContact CD1-CB 4.32Å; L61-F72 HydrophobicContact CD1-CD1 3.98Å; L61-F72 HydrophobicContact CD1-CD2 3.85Å; L61-F72 HydrophobicContact CD1-CE1 4.2Å; L61-F72 HydrophobicContact CD1-CE2 4.1Å; L61-F72 HydrophobicContact CD1-CG 3.79Å; L61-F72 HydrophobicContact CD1-CZ 4.26Å; L61-F72 HydrophobicContact CD2-CB 4.12Å; L61-F72 HydrophobicContact CD2-CG 4.42Å; A68-F72 WeakPolarHBondContact O-CB 3.28Å; A68-F72 PolarHBondContact O-N 2.81Å; F69-F72 WeakPolarHBondContact O-CB 3.46Å; F69-F72 PolarHBondContact O-N 3.39Å; C70-F72 VanDerWaalsContact C-N 3.28Å; C70-F72 PolarHBondContact O-N 3.24Å; F72-E74 VanDerWaalsContact C-N 3.25Å; F72-E74 PolarHBondContact O-N 2.95Å; F72-A75 WeakPolarHBondContact O-CB 3.2Å; F72-A75 PolarHBondContact O-N 3.41Å; F72-L76 HydrophobicContact CD1-CD1 3.68Å; F72-L76 HydrophobicContact CD1-CG 4.38Å; F72-L76 HydrophobicContact CD2-CG 4.41Å; F72-L76 HydrophobicContact CE1-CD1 3.34Å; F72-L76 HydrophobicContact CE1-CG 4.16Å; F72-L76 HydrophobicContact CE2-CD1 4.24Å; F72-L76 HydrophobicContact CE2-CD2 4.26Å; F72-L76 HydrophobicContact CE2-CG 4.18Å; F72-L76 HydrophobicContact CG-CD1 4.29Å; F72-L76 HydrophobicContact CZ-CD1 3.65Å; F72-L76 HydrophobicContact CZ-CD2 4.13Å; F72-L76 HydrophobicContact CZ-CG 4.05Å; F72-L76 WeakPolarHBondContact O-CB 3.49Å; F72-L76 WeakPolarHBondContact O-CG 3.48Å; F72-L76 PolarHBondContact O-N 3.4Å; F72-L86 HydrophobicContact CE1-CD1 4.31Å
73L78.9Confident73.7Confident21 Ų2163.1 Ų63.111%0.1130%0.303CS..Hα-helixtrans-61.9-33.6173.7-67179.5000112.3F69 C70 L76 R77 R83 L86 L87F69-L73 HydrophobicContact CD1-CD1 3.79Å; F69-L73 HydrophobicContact CD1-CG 4.18Å; F69-L73 HydrophobicContact CE1-CD1 3.52Å; F69-L73 HydrophobicContact CE1-CD2 4.21Å; F69-L73 HydrophobicContact CE1-CG 4.01Å; F69-L73 HydrophobicContact CZ-CD1 4.29Å; F69-L73 HydrophobicContact CZ-CD2 4.16Å; F69-L73 HydrophobicContact CZ-CG 4.4Å; F69-L73 WeakPolarHBondContact O-CG 2.89Å; F69-L73 PolarHBondContact O-N 2.72Å; C70-L73 CarbonylContact O-C 3.58Å; C70-L73 WeakPolarHBondContact O-CA 3.34Å; C70-L73 WeakPolarHBondContact O-CB 3.41Å; C70-L73 PolarHBondContact O-N 3.48Å; C70-L73 VanDerWaalsContact O-N 3.08Å; L73-L76 CarbonylContact O-C 3.41Å; L73-L76 PolarHBondContact O-N 2.96Å; L73-R77 PolarHBondContact O-N 3.3Å; L73-R83 HydrophobicContact CB-CG 3.82Å; L73-R83 HydrophobicContact CD1-CG 4.49Å; L73-R83 HydrophobicContact CD2-CB 4.19Å; L73-R83 HydrophobicContact CD2-CG 3.5Å; L73-R83 VanDerWaalsContact CD2-CG 3.5Å; L73-R83 HydrophobicContact CG-CG 4.09Å; L73-R83 WeakPolarHBondContact O-CD 3.49Å; L73-L86 HydrophobicContact CD2-CB 4.23Å; L73-L87 HydrophobicContact CD1-CD2 4.03Å; L73-L87 HydrophobicContact CD1-CG 4.4Å
74E81.8Confident73.8Confident111 Ų11161.5 Ų61.552%0.51929%0.294SS..Hα-helixtrans-71.9-39.6173.1-70.1-156.888.800112.5F29 C70 A71 F72 L76 R77F29-E74 HydrophobicContact CE1-CB 3.82Å; F29-E74 HydrophobicContact CZ-CB 3.9Å; C70-E74 PolarHBondContact O-N 2.89Å; A71-E74 PolarHBondContact O-N 3.32Å; F72-E74 VanDerWaalsContact C-N 3.25Å; F72-E74 PolarHBondContact O-N 2.95Å; E74-L76 PolarHBondContact O-N 2.91Å; E74-R77 WeakPolarHBondContact O-CB 3.4Å; E74-R77 PolarHBondContact O-N 2.83Å
75A79.7Confident74.1Confident10 Ų1063.5 Ų63.58%0.08330%0.302CS..Hα-helixtrans-62.3-3117100000111.6I26 F29 L30 A71 F72 R77I26-A75 HydrophobicContact CG2-CB 4.04Å; F29-A75 HydrophobicContact CD1-CB 3.54Å; F29-A75 HydrophobicContact CE1-CB 4.09Å; F29-A75 HydrophobicContact CG-CB 4.28Å; L30-A75 HydrophobicContact CD2-CB 4.36Å; L30-A75 HydrophobicContact CG-CB 4.24Å; A71-A75 WeakPolarHBondContact O-CB 3.3Å; A71-A75 PolarHBondContact O-N 3.17Å; F72-A75 WeakPolarHBondContact O-CB 3.2Å; F72-A75 PolarHBondContact O-N 3.41Å; A75-R77 PolarHBondContact O-N 2.62Å
76L77.5Confident74.8Confident0 Ų062.7 Ų62.70%029%0.293CS..THydrogen-bonded Turntrans-8416173.7-65.1177.6000113.2L20 I26 F72 L73 E74 D78 F79 G80 I82 R83 L86L20-L76 HydrophobicContact CD1-CD2 3.37Å; I26-L76 HydrophobicContact CD1-CD2 4.48Å; F72-L76 HydrophobicContact CD1-CD1 3.68Å; F72-L76 HydrophobicContact CD1-CG 4.38Å; F72-L76 HydrophobicContact CD2-CG 4.41Å; F72-L76 HydrophobicContact CE1-CD1 3.34Å; F72-L76 HydrophobicContact CE1-CG 4.16Å; F72-L76 HydrophobicContact CE2-CD1 4.24Å; F72-L76 HydrophobicContact CE2-CD2 4.26Å; F72-L76 HydrophobicContact CE2-CG 4.18Å; F72-L76 HydrophobicContact CG-CD1 4.29Å; F72-L76 HydrophobicContact CZ-CD1 3.65Å; F72-L76 HydrophobicContact CZ-CD2 4.13Å; F72-L76 HydrophobicContact CZ-CG 4.05Å; F72-L76 WeakPolarHBondContact O-CB 3.49Å; F72-L76 WeakPolarHBondContact O-CG 3.48Å; F72-L76 PolarHBondContact O-N 3.4Å; L73-L76 CarbonylContact O-C 3.41Å; L73-L76 PolarHBondContact O-N 2.96Å; E74-L76 PolarHBondContact O-N 2.91Å; L76-D78 VanDerWaalsContact C-N 3.29Å; L76-D78 PolarHBondContact O-N 3.43Å; L76-F79 HydrophobicContact CB-CB 4.29Å; L76-F79 HydrophobicContact CD2-CB 4.04Å; L76-F79 HydrophobicContact CD2-CD2 4.1Å; L76-F79 HydrophobicContact CD2-CG 4.34Å; L76-F79 CarbonylContact O-C 3.35Å; L76-F79 VanDerWaalsContact O-CA 3.23Å; L76-F79 WeakPolarHBondContact O-CA 3.47Å; L76-F79 PolarHBondContact O-N 3.11Å; L76-F79 VanDerWaalsContact O-O 3.14Å; L76-G80 PolarHBondContact O-N 3.28Å; L76-I82 HydrophobicContact CD1-CB 4.4Å; L76-I82 HydrophobicContact CD1-CG2 3.8Å; L76-I82 HydrophobicContact CD2-CG2 4.36Å; L76-R83 HydrophobicContact CB-CB 4.31Å; L76-L86 HydrophobicContact CD1-CD1 4.07Å
77R69.6Low75.4Confident191 Ų19161.7 Ų61.772%0.72128%0.283SS*.THydrogen-bonded Turntrans-62.8-36.5177.2-178.7176.7153.8-168.7-8.6112.5L73 E74 A75 F79L73-R77 PolarHBondContact O-N 3.3Å; E74-R77 WeakPolarHBondContact O-CB 3.4Å; E74-R77 PolarHBondContact O-N 2.83Å; A75-R77 PolarHBondContact O-N 2.62Å; R77-F79 PolarHBondContact O-N 2.94Å
78D64.3Low75.7Confident139 Ų13956.3 Ų56.374%0.74327%0.27SS*.THydrogen-bonded Turntrans-68.5-19.3169.9-73.8-81.3000112.7L76L76-D78 VanDerWaalsContact C-N 3.29Å; L76-D78 PolarHBondContact O-N 3.43Å
79F68.9Low75.5Confident36 Ų3657.3 Ų57.316%0.15827%0.274CS..THydrogen-bonded Turntrans-11248.9177.6-58.5-83.5000110.9I26 L76 R77 W81 I82 R83I26-F79 HydrophobicContact CD1-CD2 4.3Å; I26-F79 HydrophobicContact CD1-CE2 3.84Å; I26-F79 HydrophobicContact CG1-CE2 4.48Å; L76-F79 HydrophobicContact CB-CB 4.29Å; L76-F79 HydrophobicContact CD2-CB 4.04Å; L76-F79 HydrophobicContact CD2-CD2 4.1Å; L76-F79 HydrophobicContact CD2-CG 4.34Å; L76-F79 CarbonylContact O-C 3.35Å; L76-F79 VanDerWaalsContact O-CA 3.23Å; L76-F79 WeakPolarHBondContact O-CA 3.47Å; L76-F79 PolarHBondContact O-N 3.11Å; L76-F79 VanDerWaalsContact O-O 3.14Å; R77-F79 PolarHBondContact O-N 2.94Å; F79-W81 PolarHBondContact O-N 3.13Å; F79-I82 HydrophobicContact CB-CB 4.06Å; F79-I82 HydrophobicContact CB-CD1 3.66Å; F79-I82 HydrophobicContact CB-CG1 3.87Å; F79-I82 HydrophobicContact CD1-CD1 3.84Å; F79-I82 HydrophobicContact CG-CD1 3.97Å; F79-I82 WeakPolarHBondContact O-CA 3.02Å; F79-I82 WeakPolarHBondContact O-CB 3.02Å; F79-I82 PolarHBondContact O-N 3.36Å; F79-R83 PolarHBondContact O-N 2.97Å; F79-R83 VanDerWaalsContact O-N 3.14Å
80G68Low75.4Confident23 Ų2358.5 Ų58.524%0.23728%0.28CS..Hα-helixtrans-52.3-30.8-174.700000114L76 R83 D84L76-G80 PolarHBondContact O-N 3.28Å; G80-R83 WeakPolarHBondContact O-CB 3.15Å; G80-R83 PolarHBondContact O-N 3.06Å; G80-D84 WeakPolarHBondContact O-CB 3.01Å; G80-D84 PolarHBondContact O-N 3.25Å; G80-D84 VanDerWaalsContact O-OD2 3.1Å
81W70.1Confident75Confident93 Ų9361.7 Ų61.735%0.35229%0.288SS..Hα-helixtrans-68-36.917568.2-90.6000113.3Q19 F79 R85 H209Q19-W81 HydrophobicContact CB-CH2 4.09Å; Q19-W81 VanDerWaalsContact OE1-CH2 3.32Å; F79-W81 PolarHBondContact O-N 3.13Å; W81-R85 VanDerWaalsContact O-CB 3.25Å; W81-R85 WeakPolarHBondContact O-CB 3.41Å; W81-R85 PolarHBondContact O-N 2.97Å; W81-H209 HydrophobicContact CB-CB 4.4Å; W81-H209 HydrophobicContact CG-CB 4.48Å
82I75.7Confident74.2Confident3 Ų366.2 Ų66.22%0.01531%0.311CS..Hα-helixtrans-67.1-46.2176.1-58.3-175.3000109.1L16 L20 L76 F79 R85 L86L16-I82 HydrophobicContact CD2-CG2 3.27Å; L20-I82 HydrophobicContact CD1-CD1 3.55Å; L20-I82 HydrophobicContact CD1-CG2 4.3Å; L76-I82 HydrophobicContact CD1-CB 4.4Å; L76-I82 HydrophobicContact CD1-CG2 3.8Å; L76-I82 HydrophobicContact CD2-CG2 4.36Å; F79-I82 HydrophobicContact CB-CB 4.06Å; F79-I82 HydrophobicContact CB-CD1 3.66Å; F79-I82 HydrophobicContact CB-CG1 3.87Å; F79-I82 HydrophobicContact CD1-CD1 3.84Å; F79-I82 HydrophobicContact CG-CD1 3.97Å; F79-I82 WeakPolarHBondContact O-CA 3.02Å; F79-I82 WeakPolarHBondContact O-CB 3.02Å; F79-I82 PolarHBondContact O-N 3.36Å; I82-R85 PolarHBondContact O-N 2.94Å; I82-L86 HydrophobicContact CG2-CD1 3.75Å; I82-L86 WeakPolarHBondContact O-CB 3.22Å; I82-L86 WeakPolarHBondContact O-CD1 3.47Å; I82-L86 PolarHBondContact O-N 3.21Å
83R78.3Confident73.1Confident89 Ų8968.4 Ų68.434%0.33633%0.327SS..Hα-helixtrans-56.7-51.2175.2-172.2-165.666.9-178.2-2.8111.2L73 L76 F79 G80 R85 L86 L87L73-R83 HydrophobicContact CB-CG 3.82Å; L73-R83 HydrophobicContact CD1-CG 4.49Å; L73-R83 HydrophobicContact CD2-CB 4.19Å; L73-R83 HydrophobicContact CD2-CG 3.5Å; L73-R83 VanDerWaalsContact CD2-CG 3.5Å; L73-R83 HydrophobicContact CG-CG 4.09Å; L73-R83 WeakPolarHBondContact O-CD 3.49Å; L76-R83 HydrophobicContact CB-CB 4.31Å; F79-R83 PolarHBondContact O-N 2.97Å; F79-R83 VanDerWaalsContact O-N 3.14Å; G80-R83 WeakPolarHBondContact O-CB 3.15Å; G80-R83 PolarHBondContact O-N 3.06Å; R83-R85 PolarHBondContact O-N 3.17Å; R83-L86 WeakPolarHBondContact O-CB 3.26Å; R83-L86 PolarHBondContact O-N 2.84Å; R83-L87 HydrophobicContact CG-CD1 4.34Å; R83-L87 WeakPolarHBondContact O-CG 3.34Å; R83-L87 PolarHBondContact O-N 3.01Å
84D75.4Confident72Confident89 Ų8970.1 Ų70.148%0.47634%0.344SS..Hα-helixtrans-64.8-38179.3-89.4-106.9000111.9G80 L87 L88G80-D84 WeakPolarHBondContact O-CB 3.01Å; G80-D84 PolarHBondContact O-N 3.25Å; G80-D84 VanDerWaalsContact O-OD2 3.1Å; D84-L87 PolarHBondContact O-N 2.95Å; D84-L88 WeakPolarHBondContact O-CB 3.23Å; D84-L88 PolarHBondContact O-N 3.04Å
85R72.9Confident70.4Confident133 Ų13367.9 Ų67.950%0.50235%0.35SS..Hα-helixtrans-64.7-41.8174.4-166.973.2179.9-160.91.9112.5F12 W81 I82 R83 L87 L88 E89F12-R85 HydrophobicContact CE1-CG 3.65Å; F12-R85 HydrophobicContact CZ-CG 3.91Å; W81-R85 VanDerWaalsContact O-CB 3.25Å; W81-R85 WeakPolarHBondContact O-CB 3.41Å; W81-R85 PolarHBondContact O-N 2.97Å; I82-R85 PolarHBondContact O-N 2.94Å; R83-R85 PolarHBondContact O-N 3.17Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L88 PolarHBondContact O-N 3.36Å; R85-E89 PolarHBondContact O-N 2.77Å
86L78.3Confident68.6Low1 Ų173 Ų731%0.00538%0.381CS..Hα-helixtrans-61.5-41.8173.7-98.6134.4000111.5V8 L9 L16 F69 F72 L73 L76 I82 R83 L90V8-L86 HydrophobicContact CG1-CD2 3.78Å; V8-L86 HydrophobicContact CG1-CG 4.32Å; L9-L86 HydrophobicContact CD2-CD2 3.7Å; L9-L86 HydrophobicContact CG-CD2 4.36Å; L16-L86 HydrophobicContact CD1-CD1 4.13Å; L16-L86 HydrophobicContact CD2-CD1 4.27Å; F69-L86 HydrophobicContact CE2-CD2 3.52Å; F69-L86 HydrophobicContact CZ-CB 4.39Å; F69-L86 HydrophobicContact CZ-CD2 3.84Å; F72-L86 HydrophobicContact CE1-CD1 4.31Å; L73-L86 HydrophobicContact CD2-CB 4.23Å; L76-L86 HydrophobicContact CD1-CD1 4.07Å; I82-L86 HydrophobicContact CG2-CD1 3.75Å; I82-L86 WeakPolarHBondContact O-CB 3.22Å; I82-L86 WeakPolarHBondContact O-CD1 3.47Å; I82-L86 PolarHBondContact O-N 3.21Å; R83-L86 WeakPolarHBondContact O-CB 3.26Å; R83-L86 PolarHBondContact O-N 2.84Å; L86-L90 WeakPolarHBondContact O-CB 3.38Å; L86-L90 PolarHBondContact O-N 3.24Å
87L77.3Confident66.8Low58 Ų5875.7 Ų75.730%0.30441%0.408SS..Hα-helixtrans-67.9-39.4175.7-71.4169000112.2L73 R83 D84 R85 L90 Q91L73-L87 HydrophobicContact CD1-CD2 4.03Å; L73-L87 HydrophobicContact CD1-CG 4.4Å; R83-L87 HydrophobicContact CG-CD1 4.34Å; R83-L87 WeakPolarHBondContact O-CG 3.34Å; R83-L87 PolarHBondContact O-N 3.01Å; D84-L87 PolarHBondContact O-N 2.95Å; R85-L87 VanDerWaalsContact C-N 3.33Å; L87-L90 WeakPolarHBondContact O-CB 3.37Å; L87-L90 PolarHBondContact O-N 3.38Å; L87-Q91 WeakPolarHBondContact O-CG 3.34Å; L87-Q91 PolarHBondContact O-N 2.87Å
88L74.9Confident65.6Low99 Ų9972.2 Ų72.252%0.51841%0.411SS..Hα-helixtrans-63.1-44.2177.3-162.188.3000111.1D84 R85 L90 Q91 N92D84-L88 WeakPolarHBondContact O-CB 3.23Å; D84-L88 PolarHBondContact O-N 3.04Å; R85-L88 PolarHBondContact O-N 3.36Å; L88-L90 VanDerWaalsContact C-N 3.35Å; L88-Q91 PolarHBondContact O-N 3.4Å; L88-N92 WeakPolarHBondContact O-CB 3.49Å; L88-N92 PolarHBondContact O-N 3.4Å
89E75Confident64.4Low24 Ų2471.8 Ų71.811%0.11242%0.415CS..Hα-helixtrans-75.7-25.4178.8-83.4-87.2112.300113.1V8 K11 F12 R85 N92 S93V8-E89 HydrophobicContact CG1-CB 4Å; V8-E89 HydrophobicContact CG2-CB 4.39Å; K11-E89 WeakPolarHBondContact CE-OE2 3.42Å; K11-E89 IonicContact NZ-OE1 3.15Å; K11-E89 IonicContact NZ-OE2 3.04Å; K11-E89 PolarHBondContact NZ-OE2 3.25Å; F12-E89 HydrophobicContact CD2-CB 4.4Å; F12-E89 HydrophobicContact CE2-CB 3.64Å; F12-E89 HydrophobicContact CE2-CG 3.35Å; F12-E89 WeakPolarHBondContact CE2-OE2 3.17Å; F12-E89 HydrophobicContact CZ-CB 4.27Å; F12-E89 HydrophobicContact CZ-CG 3.62Å; R85-E89 PolarHBondContact O-N 2.77Å; E89-N92 PolarHBondContact O-N 2.98Å; E89-N92 PolarHBondContact OE1-ND2 3.17Å; E89-S93 WeakPolarHBondContact O-CB 3.25Å; E89-S93 PolarHBondContact O-N 3.45Å
90L74.8Confident62.8Low29 Ų2973.1 Ų73.115%0.15244%0.439CS..Hα-helixtrans-61.9-46.3166.7-17569.1000111.1E4 H5 V8 F69 L86 L87 L88 N92 S93 A94E4-L90 HydrophobicContact CB-CD1 3.71Å; H5-L90 WeakPolarHBondContact CD2-CD1 3.46Å; H5-L90 VanDerWaalsContact CD2-CD2 3.47Å; H5-L90 WeakPolarHBondContact CD2-CD2 3.42Å; H5-L90 WeakPolarHBondContact NE2-CD2 3.24Å; V8-L90 HydrophobicContact CG2-CB 4.28Å; V8-L90 HydrophobicContact CG2-CD1 4.27Å; F69-L90 HydrophobicContact CE1-CD2 4.49Å; L86-L90 WeakPolarHBondContact O-CB 3.38Å; L86-L90 PolarHBondContact O-N 3.24Å; L87-L90 WeakPolarHBondContact O-CB 3.37Å; L87-L90 PolarHBondContact O-N 3.38Å; L88-L90 VanDerWaalsContact C-N 3.35Å; L90-N92 PolarHBondContact O-N 3.32Å; L90-S93 PolarHBondContact O-N 2.88Å; L90-A94 WeakPolarHBondContact O-CB 3.44Å; L90-A94 PolarHBondContact O-N 3.36Å
91Q68.9Low61.9Low143 Ų14377.2 Ų77.267%0.66846%0.462SS*.Hα-helixtrans-64.5-39.4176.1-69.4173.123.900112.1L87 L88L87-Q91 WeakPolarHBondContact O-CG 3.34Å; L87-Q91 PolarHBondContact O-N 2.87Å; L88-Q91 PolarHBondContact O-N 3.4Å
92N65.8Low60.6Low98 Ų9879.7 Ų79.752%0.52448%0.482SS..Hα-helixtrans-67.5-38.1176.6-166.938.2000111.8L88 E89 L90 G95L88-N92 WeakPolarHBondContact O-CB 3.49Å; L88-N92 PolarHBondContact O-N 3.4Å; E89-N92 PolarHBondContact O-N 2.98Å; E89-N92 PolarHBondContact OE1-ND2 3.17Å; L90-N92 PolarHBondContact O-N 3.32Å; N92-G95 PolarHBondContact O-N 3.42Å
93S59.4Low58.9Low47 Ų4787.8 Ų87.833%0.32952%0.524SS..Hα-helixtrans-76.4-27.1179.5-163.90000112.9E89 L90 G95 T96E89-S93 WeakPolarHBondContact O-CB 3.25Å; E89-S93 PolarHBondContact O-N 3.45Å; L90-S93 PolarHBondContact O-N 2.88Å; S93-G95 PolarHBondContact O-N 3.4Å; S93-T96 PolarHBondContact O-N 2.96Å
94A54.8Low57.2Low56 Ų5687.1 Ų87.146%0.46354%0.538SS..Hα-helixtrans-69.5-15.9173.500000113E4 L90E4-A94 VanDerWaalsContact OE1-CA 3.3Å; E4-A94 WeakPolarHBondContact OE1-CA 3.39Å; E4-A94 WeakPolarHBondContact OE1-CB 3.39Å; L90-A94 WeakPolarHBondContact O-CB 3.44Å; L90-A94 PolarHBondContact O-N 3.36Å
95G48.6Very low55.7Low64 Ų6491.8 Ų91.866%0.6656%0.557SS**THydrogen-bonded Turntrans-83.7-6.5178.400000115.7N92 S93N92-G95 PolarHBondContact O-N 3.42Å; S93-G95 PolarHBondContact O-N 3.4Å
96T41.5Very low54.3Low118 Ų11893.4 Ų93.472%0.72458%0.576SS**  trans-127.667.3-178-43.10000111.2S93S93-T96 PolarHBondContact O-N 2.96Å
97G41Very low52.2Low56 Ų5696.4 Ų96.458%0.57761%0.607SS**  trans-68139.7155.200000109.2
98P44.5Very low50.4Low119 Ų119101.6 Ų101.677%0.77363%0.634SS**  trans-57.7136.9171.524.3-31.1000108.8G100P98-G100 VanDerWaalsContact C-N 3.27Å; P98-G100 PolarHBondContact O-N 3.36Å
99P37.8Very low48.6Very low129 Ų129102.9 Ų102.984%0.83865%0.651SS**  trans-65.196.2169.427.3-31.4000107.1
100G36.4Very low46.7Very low64 Ų64105.9 Ų105.966%0.6669%0.689SS**  trans-59.2125.5162.600000107.3P98 N102P98-G100 VanDerWaalsContact C-N 3.27Å; P98-G100 PolarHBondContact O-N 3.36Å; G100-N102 PolarHBondContact O-N 3.35Å
101P49.3Very low44.6Very low109 Ų109108.3 Ų108.371%0.70872%0.721SS**  trans-74.1127.5177.930.1-29.9000108.1
102N43.1Very low42.7Very low146 Ų146106.4 Ų106.478%0.78173%0.73SS**  trans86.5111.2168.1-49.1-64.8000117.1G100G100-N102 PolarHBondContact O-N 3.35Å
103L39Very low41.3Very low172 Ų172106.7 Ų106.790%0.90175%0.745SS**  -166.6117.7106.4-96.7151.5000111.4
104A42.7Very low40.5Very low76 Ų76110.8 Ų110.863%0.62877%0.768SS**  trans3.7128.4156.700000120.2
105E44.1Very low39.6Very low186 Ų186115.2 Ų115.287%0.86979%0.789SS**  40.6114.2119-52.9-178.691.300117.5
106N42.5Very low39Very low168 Ų168115.7 Ų115.790%0.89879%0.788SS**  158.7142.797.8-153.717.4000110.9
107G35.3Very low39.1Very low64 Ų64120 Ų12066%0.6679%0.791SS**  trans104.1106.5152.500000117.3
108L38.7Very low38.8Very low167 Ų167128.5 Ų128.587%0.87481%0.807SS**  trans-61.2147.9168.5-56.494.3000112.6
109S38.2Very low38.7Very low125 Ų125131.3 Ų131.387%0.87481%0.809SS**  -178.7120.7123.3-86.20000113.4
110G34.6Very low39.1Very low88 Ų88128.2 Ų128.291%0.90780%0.801SS**  66.888.4127.800000118.5
111G30.7Very low39.2Very low80 Ų80131.4 Ų131.483%0.82580%0.803SS**  trans-144.7101.3161.500000109.8
112A29.4Very low39Very low103 Ų103130.1 Ų130.185%0.85181%0.809SS**  trans-57.3152.2-171.700000114.7V114A112-V114 PolarHBondContact O-N 3.21Å
113A36.2Very low39.2Very low103 Ų103124.5 Ų124.585%0.85178%0.782SS**  trans-47.2121.9173.700000114.2
114V41.4Very low39.9Very low134 Ų134126.8 Ų126.881%0.81278%0.778SS**  trans-162.261.1135.969.10000110.8A112A112-V114 PolarHBondContact O-N 3.21Å
115T36.9Very low40.7Very low148 Ų148123.4 Ų123.491%0.90875%0.75SS**  trans-118.448.1162.852.90000109.7R117T115-R117 PolarHBondContact O-N 3.36Å
116A35.1Very low41.6Very low75 Ų75117.8 Ų117.862%0.6273%0.729SS**  trans-8597162.100000109
117R43.6Very low42.4Very low209 Ų209115.6 Ų115.679%0.78972%0.717SS**  trans7292.7137.2-50.5171.4-164.2172.83.4117.2T115T115-R117 PolarHBondContact O-N 3.36Å
118Y35.2Very low43.9Very low234 Ų234117.3 Ų117.392%0.91872%0.719SS**  -144.990.8123.7-64.6-76.5000104.6
119H42.3Very low45.3Very low177 Ų177110.5 Ų110.582%0.81968%0.684SS**  25.2101.388.7-120.773.5000109.3
120G45.9Very low47Very low65 Ų65105.7 Ų105.767%0.6765%0.649SS**  63.765.863.300000108.1
121D38.3Very low48.9Very low131 Ų131108.3 Ų108.370%0.70164%0.638SS**  trans-151.3127.6159-162.1-91000110.4S123D121-S123 PolarHBondContact O-N 3.43Å; D121-S123 PolarHBondContact OD1-N 3.25Å
122G46.2Very low51.3Low81 Ų81110.2 Ų110.284%0.83562%0.62SS**SBendtrans-8222.3-178.700000114.1
123S46.4Very low53.8Low29 Ų29107.9 Ų107.920%0.20360%0.595CS.*  trans-150.9118.3163.8-140.80000109.9D121 I125D121-S123 PolarHBondContact O-N 3.43Å; D121-S123 PolarHBondContact OD1-N 3.25Å; S123-I125 PolarHBondContact O-N 2.95Å
124R54.2Low55.9Low219 Ų219103 Ų10383%0.82656%0.555SS**  trans-76.7-3175.7-140.2179.3-162.9-161.54.4112.1P126 E214R124-P126 WeakPolarHBondContact O-CD 3.41Å; R124-E214 WeakPolarHBondContact CB-OE1 3.44Å; R124-E214 PolarHBondContact N-OE1 3.45Å; R124-E214 VanDerWaalsContact N-OE1 3.17Å
125I58.6Low57.9Low6 Ų699.4 Ų99.43%0.03154%0.535CS..SBendtrans-81114.2175.8-50.4-175.7000108.5S123 V129 L130 L200 L213 E214S123-I125 PolarHBondContact O-N 2.95Å; I125-V129 HydrophobicContact CG2-CB 3.58Å; I125-V129 HydrophobicContact CG2-CG1 3.41Å; I125-V129 VanDerWaalsContact CG2-CG1 3.41Å; I125-L130 HydrophobicContact CB-CD2 4.01Å; I125-L130 HydrophobicContact CB-CG 4.26Å; I125-L130 HydrophobicContact CD1-CD2 4.2Å; I125-L130 HydrophobicContact CG2-CD2 3.73Å; I125-L130 HydrophobicContact CG2-CG 3.86Å; I125-L200 HydrophobicContact CD1-CD1 4.43Å; I125-L213 HydrophobicContact CD1-CB 4.49Å; I125-L213 HydrophobicContact CD1-CD2 4.19Å; I125-L213 HydrophobicContact CD1-CG 4.14Å; I125-E214 HydrophobicContact CD1-CG 3.68Å; I125-E214 HydrophobicContact CG1-CB 4.47Å; I125-E214 HydrophobicContact CG1-CG 3.51Å
126P63.2Low60.1Low68 Ų6896.2 Ų96.244%0.44251%0.513SS..  trans-60.1142175.323.5-31.3000110.5R124 S128 V129 L130R124-P126 WeakPolarHBondContact O-CD 3.41Å; P126-S128 PolarHBondContact O-N 3.33Å; P126-V129 HydrophobicContact CG-CB 4.24Å; P126-V129 HydrophobicContact CG-CG2 3.74Å; P126-V129 WeakPolarHBondContact O-CA 3.2Å; P126-V129 WeakPolarHBondContact O-CB 3.38Å; P126-V129 PolarHBondContact O-N 2.92Å; P126-L130 PolarHBondContact O-N 3.22Å
127D60.8Low62.3Low121 Ų121102.2 Ų102.265%0.64752%0.519SS*.Hα-helixtrans-49.7-32.2179.7-70.9-94.4000113.8V129 L130 Q131D127-V129 PolarHBondContact O-N 3.18Å; D127-L130 PolarHBondContact O-N 2.91Å; D127-L130 VanDerWaalsContact O-N 3.17Å; D127-Q131 WeakPolarHBondContact O-CG 3.4Å; D127-Q131 PolarHBondContact O-N 3.42Å
128S65.6Low64.2Low101 Ų10192.8 Ų92.871%0.70648%0.484SS*.Hα-helixtrans-57.5-31.6174.1-56.40000113.5P126P126-S128 PolarHBondContact O-N 3.33Å
129V69.2Low66.6Low23 Ų2381.6 Ų81.614%0.13944%0.44CS..Hα-helixtrans-84.9-36.6177.3172.20000110.7I125 P126 D127 Q131 R132 V196 V217I125-V129 HydrophobicContact CG2-CB 3.58Å; I125-V129 HydrophobicContact CG2-CG1 3.41Å; I125-V129 VanDerWaalsContact CG2-CG1 3.41Å; P126-V129 HydrophobicContact CG-CB 4.24Å; P126-V129 HydrophobicContact CG-CG2 3.74Å; P126-V129 WeakPolarHBondContact O-CA 3.2Å; P126-V129 WeakPolarHBondContact O-CB 3.38Å; P126-V129 PolarHBondContact O-N 2.92Å; D127-V129 PolarHBondContact O-N 3.18Å; V129-Q131 VanDerWaalsContact C-N 3.27Å; V129-Q131 PolarHBondContact O-N 3.44Å; V129-R132 WeakPolarHBondContact O-CB 3.37Å; V129-R132 PolarHBondContact O-N 3.46Å; V129-R132 VanDerWaalsContact O-N 3.12Å; V129-V196 WeakPolarHBondContact O-CB 3.37Å; V129-V217 HydrophobicContact CG1-CG1 3.33Å
130L73.3Confident68.7Low25 Ų2575.1 Ų75.113%0.13142%0.415CS..Hα-helixtrans-62.4-32.8175.7-65.1176.4000112.9I125 P126 D127 R132 T195 V196 G197 L200I125-L130 HydrophobicContact CB-CD2 4.01Å; I125-L130 HydrophobicContact CB-CG 4.26Å; I125-L130 HydrophobicContact CD1-CD2 4.2Å; I125-L130 HydrophobicContact CG2-CD2 3.73Å; I125-L130 HydrophobicContact CG2-CG 3.86Å; P126-L130 PolarHBondContact O-N 3.22Å; D127-L130 PolarHBondContact O-N 2.91Å; D127-L130 VanDerWaalsContact O-N 3.17Å; L130-R132 VanDerWaalsContact C-N 3.33Å; L130-T195 WeakPolarHBondContact O-CB 3.45Å; L130-V196 HydrophobicContact CD2-CG1 4.22Å; L130-V196 PolarHBondContact O-N 3.15Å; L130-G197 PolarHBondContact O-N 3.42Å; L130-L200 HydrophobicContact CD2-CD2 4.01Å
131Q74.3Confident70.5Confident143 Ų14376.7 Ų76.767%0.66840%0.401SS*.THydrogen-bonded Turntrans-82.7-8.7177.7-63.5-65.2-25.100113.4D127 V129 T195D127-Q131 WeakPolarHBondContact O-CG 3.4Å; D127-Q131 PolarHBondContact O-N 3.42Å; V129-Q131 VanDerWaalsContact C-N 3.27Å; V129-Q131 PolarHBondContact O-N 3.44Å; Q131-T195 WeakPolarHBondContact O-CG2 3.48Å
132R80.7Confident72.7Confident120 Ų12070.5 Ų70.545%0.45337%0.368SS..SBendtrans-82.1152-179.1-160.9172.674.3-172.10.2111V129 L130 E138 T195 V196V129-R132 WeakPolarHBondContact O-CB 3.37Å; V129-R132 PolarHBondContact O-N 3.46Å; V129-R132 VanDerWaalsContact O-N 3.12Å; L130-R132 VanDerWaalsContact C-N 3.33Å; R132-E138 IonicContact NH2-OE1 3.26Å; R132-E138 PolarHBondContact NH2-OE1 2.83Å; R132-E138 IonicContact NH2-OE2 2.69Å; R132-T195 WeakPolarHBondContact O-CA 3.32Å; R132-V196 WeakPolarHBondContact O-CG2 3.12Å; R132-V196 PolarHBondContact O-N 2.94Å
133V81.4Confident74.5Confident53 Ų5366.7 Ų66.732%0.32133%0.329SS..PPolyproline II helixtrans-78.4130.5168.2179.40000108.6R187V133-R187 HydrophobicContact CG1-CG 3.78Å
134P80.9Confident76.2Confident2 Ų272.3 Ų72.31%0.01335%0.352CS..PPolyproline II helixtrans-66.7135.3178.625.4-30.9000111.8E138 L139 W186 R187 A194 V196P134-E138 HydrophobicContact CB-CB 4.39Å; P134-L139 HydrophobicContact CB-CD2 3.79Å; P134-L139 HydrophobicContact CB-CG 4.16Å; P134-L139 HydrophobicContact CG-CD2 3.7Å; P134-L139 HydrophobicContact CG-CG 4.33Å; P134-W186 HydrophobicContact CG-CH2 4.35Å; P134-W186 HydrophobicContact CG-CZ3 3.87Å; P134-R187 WeakPolarHBondContact O-CD 3.36Å; P134-R187 PolarHBondContact O-NH1 3.39Å; P134-A194 WeakPolarHBondContact CD-O 3.23Å; P134-V196 HydrophobicContact CB-CG2 4.07Å; P134-V196 HydrophobicContact CG-CG2 4.42Å
135S83.3Confident77.2Confident58 Ų5868.9 Ų68.941%0.40634%0.339SS..PPolyproline II helixtrans-71.6158.5175.7-50.90000110.4R137 E138 L139S135-R137 PolarHBondContact O-N 3.13Å; S135-E138 WeakPolarHBondContact CA-OE2 3.35Å; S135-E138 WeakPolarHBondContact CB-OE2 3.31Å; S135-E138 PolarHBondContact N-OE2 2.87Å; S135-E138 WeakPolarHBondContact O-CB 3.42Å; S135-E138 PolarHBondContact O-N 3.25Å; S135-E138 PolarHBondContact OG-OE2 3.21Å; S135-L139 WeakPolarHBondContact O-CG 3.49Å; S135-L139 PolarHBondContact O-N 3.2Å
136D82.9Confident77.9Confident81 Ų8169 Ų6943%0.43334%0.339SS..Hα-helixtrans-57.8-36.1-179.7-153-102000113.1L139 S140 R187D136-L139 PolarHBondContact O-N 3.12Å; D136-S140 WeakPolarHBondContact O-CB 3.25Å; D136-S140 PolarHBondContact O-N 3.42Å; D136-S140 PolarHBondContact O-OG 2.87Å; D136-R187 VanDerWaalsContact N-NH1 3.14Å; D136-R187 IonicContact OD2-CZ 3.42Å; D136-R187 IonicContact OD2-NH1 2.93Å; D136-R187 IonicContact OD2-NH2 3.01Å; D136-R187 PolarHBondContact OD2-NH2 3.11Å
137R82.2Confident78.3Confident200 Ų20067.9 Ų67.976%0.75534%0.341SS*.Hα-helixtrans-66.8-36.7175.3-61.7-176.9-179.6-170.2-0.2113.3S135 S140 R141S135-R137 PolarHBondContact O-N 3.13Å; R137-S140 PolarHBondContact O-OG 2.78Å; R137-S140 VanDerWaalsContact O-OG 3.07Å; R137-R141 VanDerWaalsContact O-CG 3.29Å; R137-R141 WeakPolarHBondContact O-CG 3.44Å; R137-R141 PolarHBondContact O-N 3.33Å; R137-R141 VanDerWaalsContact O-N 3.17Å
138E84.3Confident78.8Confident11 Ų1165.9 Ų65.95%0.05134%0.341CS..Hα-helixtrans-69.9-42.1177.3-65.7166.2125.700109.2R132 P134 S135 R141 L142 V217R132-E138 IonicContact NH2-OE1 3.26Å; R132-E138 PolarHBondContact NH2-OE1 2.83Å; R132-E138 IonicContact NH2-OE2 2.69Å; P134-E138 HydrophobicContact CB-CB 4.39Å; S135-E138 WeakPolarHBondContact CA-OE2 3.35Å; S135-E138 WeakPolarHBondContact CB-OE2 3.31Å; S135-E138 PolarHBondContact N-OE2 2.87Å; S135-E138 WeakPolarHBondContact O-CB 3.42Å; S135-E138 PolarHBondContact O-N 3.25Å; S135-E138 PolarHBondContact OG-OE2 3.21Å; E138-R141 PolarHBondContact O-N 3.04Å; E138-L142 WeakPolarHBondContact O-CB 3.23Å; E138-L142 PolarHBondContact O-N 3.25Å; E138-V217 HydrophobicContact CG-CG2 4.47Å
139L85.4Confident79.5Confident0 Ų065 Ų650%033%0.326CS..Hα-helixtrans-65.6-39.6175.8-64.5-178.1000112.9P134 S135 D136 L142 A143 L180 L183 V184 R187P134-L139 HydrophobicContact CB-CD2 3.79Å; P134-L139 HydrophobicContact CB-CG 4.16Å; P134-L139 HydrophobicContact CG-CD2 3.7Å; P134-L139 HydrophobicContact CG-CG 4.33Å; S135-L139 WeakPolarHBondContact O-CG 3.49Å; S135-L139 PolarHBondContact O-N 3.2Å; D136-L139 PolarHBondContact O-N 3.12Å; L139-L142 HydrophobicContact CD2-CD1 4.45Å; L139-L142 WeakPolarHBondContact O-CB 3.33Å; L139-L142 PolarHBondContact O-N 3.4Å; L139-A143 VanDerWaalsContact O-CB 3.26Å; L139-A143 WeakPolarHBondContact O-CB 3.28Å; L139-A143 PolarHBondContact O-N 3Å; L139-L180 HydrophobicContact CB-CD1 3.86Å; L139-L183 HydrophobicContact CB-CB 4.37Å; L139-L183 HydrophobicContact CB-CD1 4.44Å; L139-L183 HydrophobicContact CD1-CB 4.26Å; L139-L183 HydrophobicContact CD2-CB 4.06Å; L139-L183 HydrophobicContact CD2-CD1 4.3Å; L139-L183 HydrophobicContact CG-CB 4.45Å; L139-V184 HydrophobicContact CD1-CG2 4.25Å; L139-R187 HydrophobicContact CD1-CB 4.4Å
140S85.2Confident80.1Confident41 Ų4164.3 Ų64.329%0.28732%0.32SS..Hα-helixtrans-68.7-37.8178.969.90000112.1D136 R137 A143 Q144D136-S140 WeakPolarHBondContact O-CB 3.25Å; D136-S140 PolarHBondContact O-N 3.42Å; D136-S140 PolarHBondContact O-OG 2.87Å; R137-S140 PolarHBondContact O-OG 2.78Å; R137-S140 VanDerWaalsContact O-OG 3.07Å; S140-A143 PolarHBondContact O-N 3.35Å; S140-Q144 WeakPolarHBondContact O-CG 3.18Å; S140-Q144 PolarHBondContact O-N 3.1Å
141R83.6Confident80.7Confident97 Ų9765.9 Ų65.937%0.36633%0.327SS..Hα-helixtrans-64.8-46.1172.1-73.1170.7176.3176.2-9.4111.8R137 E138 A143 Q144 R145 A216 A219R137-R141 VanDerWaalsContact O-CG 3.29Å; R137-R141 WeakPolarHBondContact O-CG 3.44Å; R137-R141 PolarHBondContact O-N 3.33Å; R137-R141 VanDerWaalsContact O-N 3.17Å; E138-R141 PolarHBondContact O-N 3.04Å; R141-A143 VanDerWaalsContact C-N 3.3Å; R141-A143 PolarHBondContact O-N 2.84Å; R141-Q144 PolarHBondContact O-N 3.12Å; R141-R145 WeakPolarHBondContact O-CG 3.44Å; R141-R145 PolarHBondContact O-N 3.26Å; R141-A216 HydrophobicContact CB-CB 4.11Å; R141-A216 PolarHBondContact NH1-O 2.87Å; R141-A219 PolarHBondContact NH1-O 3.35Å; R141-A219 PolarHBondContact NH1-OXT 2.85Å; R141-A219 PolarHBondContact NH2-OXT 3.29Å
142L84.1Confident81Confident1 Ų161.7 Ų61.71%0.00531%0.312CS..Hα-helixtrans-54.9-47.4172.1-97.4153.4000111.3E138 L139 Q144 R145 L146 L183 L199 L203 V212 L213 A216E138-L142 WeakPolarHBondContact O-CB 3.23Å; E138-L142 PolarHBondContact O-N 3.25Å; L139-L142 HydrophobicContact CD2-CD1 4.45Å; L139-L142 WeakPolarHBondContact O-CB 3.33Å; L139-L142 PolarHBondContact O-N 3.4Å; L142-Q144 PolarHBondContact O-N 3.34Å; L142-R145 CarbonylContact O-C 3.48Å; L142-R145 WeakPolarHBondContact O-CA 3.21Å; L142-R145 PolarHBondContact O-N 3.15Å; L142-L146 WeakPolarHBondContact O-CB 2.99Å; L142-L146 PolarHBondContact O-N 2.98Å; L142-L183 HydrophobicContact CB-CD1 4.23Å; L142-L199 HydrophobicContact CD1-CD2 3.42Å; L142-L199 VanDerWaalsContact CD1-CD2 3.42Å; L142-L199 HydrophobicContact CD2-CD2 3.98Å; L142-L199 HydrophobicContact CG-CD2 4.33Å; L142-L203 HydrophobicContact CD2-CD1 4.21Å; L142-V212 HydrophobicContact CD2-CG1 4.2Å; L142-L213 HydrophobicContact CD1-CD1 3.6Å; L142-L213 HydrophobicContact CD2-CD1 4.25Å; L142-L213 HydrophobicContact CG-CD1 4.28Å; L142-A216 HydrophobicContact CD1-CB 4.34Å; L142-A216 HydrophobicContact CG-CB 3.8Å
143A85.2Confident81.3Confident2 Ų256 Ų562%0.01729%0.291CS..Hα-helixtrans-61.5-30-178.400000113.8L139 S140 R141 R145 G176 V179 L180 L183L139-A143 VanDerWaalsContact O-CB 3.26Å; L139-A143 WeakPolarHBondContact O-CB 3.28Å; L139-A143 PolarHBondContact O-N 3Å; S140-A143 PolarHBondContact O-N 3.35Å; R141-A143 VanDerWaalsContact C-N 3.3Å; R141-A143 PolarHBondContact O-N 2.84Å; A143-R145 VanDerWaalsContact C-N 3.31Å; A143-G176 WeakPolarHBondContact CB-O 3.31Å; A143-V179 HydrophobicContact CB-CB 3.86Å; A143-V179 HydrophobicContact CB-CG1 3.8Å; A143-L180 HydrophobicContact CB-CB 3.78Å; A143-L183 HydrophobicContact CB-CD1 4.28Å
144Q80.9Confident81.4Confident147 Ų14753.5 Ų53.569%0.68728%0.276SS*.Hα-helixtrans-76-20.5174.1-67-65.9-37.900112.9S140 R141 L142S140-Q144 WeakPolarHBondContact O-CG 3.18Å; S140-Q144 PolarHBondContact O-N 3.1Å; R141-Q144 PolarHBondContact O-N 3.12Å; L142-Q144 PolarHBondContact O-N 3.34Å
145R75.6Confident81.7Confident147 Ų14757.4 Ų57.456%0.55530%0.296SS*.Hα-helixtrans-101.1-25.9-179.6-60.3-125.571.4-178.42.8112.8R141 L142 A143 G147 V212 E215R141-R145 WeakPolarHBondContact O-CG 3.44Å; R141-R145 PolarHBondContact O-N 3.26Å; L142-R145 CarbonylContact O-C 3.48Å; L142-R145 WeakPolarHBondContact O-CA 3.21Å; L142-R145 PolarHBondContact O-N 3.15Å; A143-R145 VanDerWaalsContact C-N 3.31Å; R145-G147 PolarHBondContact O-N 2.73Å; R145-V212 HydrophobicContact CB-CG1 3.69Å; R145-E215 IonicContact NH1-OE2 3.87Å; R145-E215 PolarHBondContact NH1-OE2 3Å
146L74.2Confident81.7Confident7 Ų758.9 Ų58.94%0.03730%0.299CS..  trans-71.299.3171.5-130.564.5000107.5L142 W150 V153 V179 L203 L208L142-L146 WeakPolarHBondContact O-CB 2.99Å; L142-L146 PolarHBondContact O-N 2.98Å; L146-W150 HydrophobicContact CB-CB 4.24Å; L146-W150 HydrophobicContact CD2-CB 3.65Å; L146-W150 HydrophobicContact CG-CB 3.96Å; L146-V153 HydrophobicContact CD2-CB 4.5Å; L146-V153 HydrophobicContact CD2-CG1 4.39Å; L146-V179 HydrophobicContact CB-CG1 3.93Å; L146-V179 HydrophobicContact CD2-CG1 3.76Å; L146-V179 HydrophobicContact CG-CG1 4.47Å; L146-L203 HydrophobicContact CD1-CD2 3.47Å; L146-L203 VanDerWaalsContact CD1-CD2 3.47Å; L146-L208 HydrophobicContact CD1-CD1 3.53Å; L146-L208 HydrophobicContact CG-CD1 4.36Å
147G71.6Confident81.7Confident46 Ų4655.3 Ų55.347%0.47428%0.28SS..  trans-72.5-126.9175.300000111.3R145 E149R145-G147 PolarHBondContact O-N 2.73Å; G147-E149 VanDerWaalsContact C-N 3.26Å; G147-E149 PolarHBondContact O-N 2.74Å
148A71.1Confident81.6Confident79 Ų7948.7 Ų48.765%0.65327%0.274SS*.THydrogen-bonded Turntrans-69.9-20-179.400000114.3W150A148-W150 PolarHBondContact O-N 3.5Å; A148-W150 VanDerWaalsContact O-N 3.13Å
149E79.6Confident81.6Confident83 Ų8349.1 Ų49.139%0.38828%0.276SS..THydrogen-bonded Turntrans-78.46.6-173.4-61.2-71.27700113.7G147 P152 V153 L208G147-E149 VanDerWaalsContact C-N 3.26Å; G147-E149 PolarHBondContact O-N 2.74Å; E149-P152 WeakPolarHBondContact O-CD 3.3Å; E149-P152 WeakPolarHBondContact O-CG 3.21Å; E149-V153 WeakPolarHBondContact O-CG2 3.48Å; E149-V153 PolarHBondContact O-N 3.46Å; E149-L208 HydrophobicContact CB-CD1 3.72Å; E149-L208 HydrophobicContact CB-CD2 3.99Å; E149-L208 HydrophobicContact CB-CG 4.01Å; E149-L208 HydrophobicContact CG-CD2 3.96Å; E149-L208 HydrophobicContact CG-CG 4.36Å
150W82.8Confident81.7Confident8 Ų852.8 Ų52.83%0.0330%0.302CS..Hα-helixtrans-70.5-33.5179.971.8-76.3000113.7L146 A148 V153 L154 V164 C167 R168 A178 V179L146-W150 HydrophobicContact CB-CB 4.24Å; L146-W150 HydrophobicContact CD2-CB 3.65Å; L146-W150 HydrophobicContact CG-CB 3.96Å; A148-W150 PolarHBondContact O-N 3.5Å; A148-W150 VanDerWaalsContact O-N 3.13Å; W150-V153 PolarHBondContact O-N 2.95Å; W150-L154 HydrophobicContact CE3-CD1 3.43Å; W150-L154 VanDerWaalsContact CE3-CD1 3.43Å; W150-L154 HydrophobicContact CE3-CG 4.24Å; W150-L154 HydrophobicContact CZ3-CD1 3.59Å; W150-L154 WeakPolarHBondContact O-CB 2.93Å; W150-L154 VanDerWaalsContact O-CG 3.28Å; W150-L154 WeakPolarHBondContact O-CG 3.14Å; W150-L154 PolarHBondContact O-N 2.85Å; W150-V164 HydrophobicContact CH2-CG1 4.02Å; W150-V164 HydrophobicContact CZ3-CG1 3.86Å; W150-C167 HydrophobicContact CH2-CB 4.46Å; W150-C167 HydrophobicContact CZ3-CB 4.4Å; W150-R168 HydrophobicContact CH2-CB 3.96Å; W150-R168 HydrophobicContact CZ2-CB 4.12Å; W150-R168 HydrophobicContact CZ2-CG 4.39Å; W150-A178 HydrophobicContact CH2-CB 4.26Å; W150-A178 HydrophobicContact CZ2-CB 4.41Å; W150-V179 HydrophobicContact CB-CB 4.26Å; W150-V179 HydrophobicContact CB-CG1 3.83Å; W150-V179 HydrophobicContact CB-CG2 3.54Å; W150-V179 HydrophobicContact CD2-CB 4.46Å; W150-V179 HydrophobicContact CD2-CG2 3.6Å; W150-V179 HydrophobicContact CE3-CG2 4.09Å; W150-V179 HydrophobicContact CG-CB 4.38Å; W150-V179 HydrophobicContact CG-CG1 4.47Å; W150-V179 HydrophobicContact CG-CG2 3.34Å
151E85.3Confident81.6Confident58 Ų5854 Ų5427%0.27131%0.314SS..Hα-helixtrans-61.3-53.8179.4-64.1177.798.500112V153 L154 L155 V164 R168E151-V153 VanDerWaalsContact C-N 3.34Å; E151-V153 PolarHBondContact O-N 3.32Å; E151-L154 PolarHBondContact O-N 3Å; E151-L155 VanDerWaalsContact O-CG 3.32Å; E151-L155 WeakPolarHBondContact O-CG 3.28Å; E151-L155 PolarHBondContact O-N 3.24Å; E151-L155 VanDerWaalsContact O-N 3.11Å; E151-V164 HydrophobicContact CB-CG1 4.17Å; E151-V164 HydrophobicContact CG-CG1 4.01Å; E151-R168 IonicContact OE1-CZ 3.79Å; E151-R168 IonicContact OE1-NH1 2.92Å; E151-R168 PolarHBondContact OE1-NH1 3.44Å; E151-R168 IonicContact OE2-NH1 2.85Å; E151-R168 PolarHBondContact OE2-NH1 3.22Å
152P81.8Confident81.6Confident55 Ų5555.8 Ų55.836%0.35733%0.327SS..Hα-helixtrans-65-35.8177.524.3-33.5000112.8E149 L155 D156E149-P152 WeakPolarHBondContact O-CD 3.3Å; E149-P152 WeakPolarHBondContact O-CG 3.21Å; P152-L155 PolarHBondContact O-N 3.36Å; P152-D156 WeakPolarHBondContact O-CB 3.47Å; P152-D156 PolarHBondContact O-N 2.88Å
153V85.2Confident81.6Confident1 Ų157 Ų571%0.00634%0.337CS..Hα-helixtrans-61-48.6175.3172.30000110.7L146 E149 W150 E151 L155 D156 L157 S202 L203 A206 L208L146-V153 HydrophobicContact CD2-CB 4.5Å; L146-V153 HydrophobicContact CD2-CG1 4.39Å; E149-V153 WeakPolarHBondContact O-CG2 3.48Å; E149-V153 PolarHBondContact O-N 3.46Å; W150-V153 PolarHBondContact O-N 2.95Å; E151-V153 VanDerWaalsContact C-N 3.34Å; E151-V153 PolarHBondContact O-N 3.32Å; V153-L155 VanDerWaalsContact C-N 3.32Å; V153-L155 PolarHBondContact O-N 3.01Å; V153-D156 PolarHBondContact O-N 3.46Å; V153-L157 HydrophobicContact CG1-CD1 3.89Å; V153-L157 HydrophobicContact CG1-CG 4.32Å; V153-L157 WeakPolarHBondContact O-CB 3.37Å; V153-L157 WeakPolarHBondContact O-CG 3.2Å; V153-L157 PolarHBondContact O-N 2.74Å; V153-S202 PolarHBondContact O-OG 2.97Å; V153-S202 VanDerWaalsContact O-OG 3.06Å; V153-L203 HydrophobicContact CG1-CD2 4.3Å; V153-L203 HydrophobicContact CG2-CD2 4.13Å; V153-A206 HydrophobicContact CG2-CB 3.38Å; V153-L208 HydrophobicContact CG2-CD1 3.95Å
154L85.3Confident81.6Confident0 Ų057.2 Ų57.20%034%0.338CS..Hα-helixtrans-64.5-37179.8-71-173000112.6W150 E151 L157 G158 L159 V164 L183W150-L154 HydrophobicContact CE3-CD1 3.43Å; W150-L154 VanDerWaalsContact CE3-CD1 3.43Å; W150-L154 HydrophobicContact CE3-CG 4.24Å; W150-L154 HydrophobicContact CZ3-CD1 3.59Å; W150-L154 WeakPolarHBondContact O-CB 2.93Å; W150-L154 VanDerWaalsContact O-CG 3.28Å; W150-L154 WeakPolarHBondContact O-CG 3.14Å; W150-L154 PolarHBondContact O-N 2.85Å; E151-L154 PolarHBondContact O-N 3Å; L154-L157 HydrophobicContact CD2-CD1 4.28Å; L154-L157 PolarHBondContact O-N 3.04Å; L154-G158 PolarHBondContact O-N 2.96Å; L154-L159 HydrophobicContact CB-CD1 3.66Å; L154-L159 HydrophobicContact CD1-CD1 4.09Å; L154-L159 HydrophobicContact CD2-CD1 3.62Å; L154-L159 HydrophobicContact CG-CD1 3.97Å; L154-L159 VanDerWaalsContact O-CB 3.32Å; L154-L159 WeakPolarHBondContact O-CB 3.44Å; L154-L159 PolarHBondContact O-N 3.2Å; L154-V164 HydrophobicContact CB-CG2 3.86Å; L154-V164 HydrophobicContact CD1-CG2 4.34Å; L154-L183 HydrophobicContact CD2-CD2 3.78Å; L154-L183 HydrophobicContact CD2-CG 4.13Å
155L85.4Confident81.8Confident84 Ų8457.9 Ų57.944%0.4434%0.336SS..Hα-helixtrans-64-45.5175.5-71.8170.8000111.7E151 P152 V153 L157 G158 A161 V164E151-L155 VanDerWaalsContact O-CG 3.32Å; E151-L155 WeakPolarHBondContact O-CG 3.28Å; E151-L155 PolarHBondContact O-N 3.24Å; E151-L155 VanDerWaalsContact O-N 3.11Å; P152-L155 PolarHBondContact O-N 3.36Å; V153-L155 VanDerWaalsContact C-N 3.32Å; V153-L155 PolarHBondContact O-N 3.01Å; L155-L157 VanDerWaalsContact C-N 3.33Å; L155-L157 PolarHBondContact O-N 3.07Å; L155-G158 WeakPolarHBondContact O-CA 3.5Å; L155-G158 PolarHBondContact O-N 3.37Å; L155-A161 HydrophobicContact CD2-CB 3.98Å; L155-V164 HydrophobicContact CD2-CG2 4.2Å; L155-V164 HydrophobicContact CG-CG2 4.37Å
156D84.1Confident82.2Confident89 Ų8959 Ų5948%0.47634%0.34SS..Hα-helixtrans-68.1-33178-179.7-94.7000112.4P152 V153 G158 S202P152-D156 WeakPolarHBondContact O-CB 3.47Å; P152-D156 PolarHBondContact O-N 2.88Å; V153-D156 PolarHBondContact O-N 3.46Å; D156-G158 PolarHBondContact O-N 3.16Å; D156-G158 VanDerWaalsContact O-N 3.1Å; D156-S202 WeakPolarHBondContact CB-OG 3.49Å; D156-S202 VanDerWaalsContact OD1-CA 3.3Å; D156-S202 WeakPolarHBondContact OD1-CA 3.13Å; D156-S202 WeakPolarHBondContact OD1-CB 3.49Å; D156-S202 PolarHBondContact OD1-OG 2.83Å
157L82.3Confident82.6Confident6 Ų659 Ų593%0.03134%0.34CS..THydrogen-bonded Turntrans-63.6-12.4169.5-74.4177.7000113.7V153 L154 L155 L183 W186 R198 L199 S202V153-L157 HydrophobicContact CG1-CD1 3.89Å; V153-L157 HydrophobicContact CG1-CG 4.32Å; V153-L157 WeakPolarHBondContact O-CB 3.37Å; V153-L157 WeakPolarHBondContact O-CG 3.2Å; V153-L157 PolarHBondContact O-N 2.74Å; L154-L157 HydrophobicContact CD2-CD1 4.28Å; L154-L157 PolarHBondContact O-N 3.04Å; L155-L157 VanDerWaalsContact C-N 3.33Å; L155-L157 PolarHBondContact O-N 3.07Å; L157-L183 HydrophobicContact CD1-CD2 4.35Å; L157-W186 HydrophobicContact CB-CG 4.14Å; L157-W186 HydrophobicContact CD1-CD2 4.02Å; L157-W186 HydrophobicContact CD1-CE3 4.44Å; L157-W186 HydrophobicContact CD1-CG 4.17Å; L157-W186 HydrophobicContact CD2-CD2 4.49Å; L157-W186 HydrophobicContact CD2-CZ2 3.78Å; L157-W186 PolarHBondContact O-NE1 3.45Å; L157-R198 HydrophobicContact CD2-CG 4.11Å; L157-L199 HydrophobicContact CD1-CD1 3.74Å; L157-L199 HydrophobicContact CD2-CD1 4.46Å; L157-S202 WeakPolarHBondContact CG-OG 3.09Å
158G81.4Confident83.2Confident60 Ų6063.1 Ų63.162%0.61934%0.341SS*.THydrogen-bonded Turntrans98.617.7173.700000114.3L154 L155 D156L154-G158 PolarHBondContact O-N 2.96Å; L155-G158 WeakPolarHBondContact O-CA 3.5Å; L155-G158 PolarHBondContact O-N 3.37Å; D156-G158 PolarHBondContact O-N 3.16Å; D156-G158 VanDerWaalsContact O-N 3.1Å
159L84.3Confident83.7Confident20 Ų2062.3 Ų62.311%0.10533%0.331CS..  trans-76.2141.6168.8-74.6154.3000110.5L154 A163 V164 G182 L185 W186L154-L159 HydrophobicContact CB-CD1 3.66Å; L154-L159 HydrophobicContact CD1-CD1 4.09Å; L154-L159 HydrophobicContact CD2-CD1 3.62Å; L154-L159 HydrophobicContact CG-CD1 3.97Å; L154-L159 VanDerWaalsContact O-CB 3.32Å; L154-L159 WeakPolarHBondContact O-CB 3.44Å; L154-L159 PolarHBondContact O-N 3.2Å; L159-A163 HydrophobicContact CD2-CB 4.33Å; L159-V164 HydrophobicContact CB-CG2 4.18Å; L159-G182 WeakPolarHBondContact CD1-O 3.5Å; L159-L185 HydrophobicContact CD2-CB 4.05Å; L159-W186 HydrophobicContact CD1-CB 3.73Å; L159-W186 HydrophobicContact CG-CB 4.14Å
160S86.2Confident83.8Confident78 Ų7864.2 Ų64.255%0.54534%0.344SS..  trans-65.3144172.3-57.30000111E162 A163 V164S160-E162 PolarHBondContact O-N 3.07Å; S160-E162 VanDerWaalsContact O-N 3.11Å; S160-A163 WeakPolarHBondContact O-CB 3.43Å; S160-A163 PolarHBondContact O-N 2.87Å; S160-V164 PolarHBondContact O-N 3.12Å
161A83.6Confident83.4Confident65 Ų6566.2 Ų66.254%0.53735%0.354SS..Hα-helixtrans-53.7-32.7174.300000112.9L155 A163 V164 Y165L155-A161 HydrophobicContact CD2-CB 3.98Å; A161-A163 PolarHBondContact O-N 3.12Å; A161-V164 PolarHBondContact O-N 3.06Å; A161-Y165 WeakPolarHBondContact O-CB 3.46Å; A161-Y165 PolarHBondContact O-N 2.96Å
162E84.5Confident82.9Confident136 Ų13668 Ų6864%0.63637%0.373SS*.Hα-helixtrans-62.9-38.2174-65.5-175.483.500113.2S160 R166S160-E162 PolarHBondContact O-N 3.07Å; S160-E162 VanDerWaalsContact O-N 3.11Å; E162-R166 WeakPolarHBondContact O-CB 3.47Å; E162-R166 VanDerWaalsContact O-CG 3.27Å; E162-R166 WeakPolarHBondContact O-CG 3.49Å; E162-R166 PolarHBondContact O-N 2.97Å
163A83.6Confident82.5Confident27 Ų2773.8 Ų73.822%0.22340%0.399CS..Hα-helixtrans-71.4-40.1178.900000111.1L159 S160 A161 R166 C167L159-A163 HydrophobicContact CD2-CB 4.33Å; S160-A163 WeakPolarHBondContact O-CB 3.43Å; S160-A163 PolarHBondContact O-N 2.87Å; A161-A163 PolarHBondContact O-N 3.12Å; A163-R166 PolarHBondContact O-N 3.43Å; A163-C167 PolarHBondContact O-N 3.48Å; A163-C167 PolarHBondContact O-SG 2.75Å
164V85.3Confident82.2Confident6 Ų677.8 Ų77.84%0.03642%0.421CS..Hα-helixtrans-63.4-46.1174.8179.40000110.5W150 E151 L154 L155 L159 S160 A161 R166 C167 R168W150-V164 HydrophobicContact CH2-CG1 4.02Å; W150-V164 HydrophobicContact CZ3-CG1 3.86Å; E151-V164 HydrophobicContact CB-CG1 4.17Å; E151-V164 HydrophobicContact CG-CG1 4.01Å; L154-V164 HydrophobicContact CB-CG2 3.86Å; L154-V164 HydrophobicContact CD1-CG2 4.34Å; L155-V164 HydrophobicContact CD2-CG2 4.2Å; L155-V164 HydrophobicContact CG-CG2 4.37Å; L159-V164 HydrophobicContact CB-CG2 4.18Å; S160-V164 PolarHBondContact O-N 3.12Å; A161-V164 PolarHBondContact O-N 3.06Å; V164-R166 PolarHBondContact O-N 2.93Å; V164-C167 PolarHBondContact O-N 3.35Å; V164-R168 PolarHBondContact O-N 3.25Å
165Y84.7Confident81.9Confident160 Ų16081.5 Ų81.563%0.62744%0.444SS*.Hα-helixtrans-60.3-46176-176.7-94.3000111.8A161 C167 R168 S169A161-Y165 WeakPolarHBondContact O-CB 3.46Å; A161-Y165 PolarHBondContact O-N 2.96Å; Y165-C167 VanDerWaalsContact C-N 3.34Å; Y165-C167 PolarHBondContact O-N 3.23Å; Y165-R168 WeakPolarHBondContact O-CB 3.13Å; Y165-R168 PolarHBondContact O-N 3.42Å; Y165-S169 WeakPolarHBondContact CE1-OG 3.44Å; Y165-S169 PolarHBondContact O-N 2.89Å; Y165-S169 PolarHBondContact O-OG 3.36Å
166R84.9Confident81.8Confident172 Ų17278.1 Ų78.165%0.64943%0.429SS*.Hα-helixtrans-59.9-42.9175.8-75.7-178.5-166.6-174.97112.1E162 A163 V164 R168 S169 D170E162-R166 WeakPolarHBondContact O-CB 3.47Å; E162-R166 VanDerWaalsContact O-CG 3.27Å; E162-R166 WeakPolarHBondContact O-CG 3.49Å; E162-R166 PolarHBondContact O-N 2.97Å; A163-R166 PolarHBondContact O-N 3.43Å; V164-R166 PolarHBondContact O-N 2.93Å; R166-R168 VanDerWaalsContact C-N 3.29Å; R166-R168 PolarHBondContact O-N 3.36Å; R166-S169 PolarHBondContact O-N 3.1Å; R166-D170 VanDerWaalsContact O-CB 3.23Å; R166-D170 WeakPolarHBondContact O-CB 3.29Å; R166-D170 PolarHBondContact O-N 3Å
167C82.4Confident81.7Confident6 Ų675.1 Ų75.14%0.04142%0.416CS..Hα-helixtrans-59.3-42.5176.6-68.90000111.6W150 A163 V164 Y165 H171W150-C167 HydrophobicContact CH2-CB 4.46Å; W150-C167 HydrophobicContact CZ3-CB 4.4Å; A163-C167 PolarHBondContact O-N 3.48Å; A163-C167 PolarHBondContact O-SG 2.75Å; V164-C167 PolarHBondContact O-N 3.35Å; Y165-C167 VanDerWaalsContact C-N 3.34Å; Y165-C167 PolarHBondContact O-N 3.23Å; C167-H171 PolarHBondContact O-N 3.37Å
168R82.8Confident81.9Confident132 Ų13274.9 Ų74.950%0.49842%0.415SS..Hα-helixtrans-65.1-44.6176.5-174.6176.7175.5164.8-1.1112.6W150 E151 V164 Y165 R166 H171 S172W150-R168 HydrophobicContact CH2-CB 3.96Å; W150-R168 HydrophobicContact CZ2-CB 4.12Å; W150-R168 HydrophobicContact CZ2-CG 4.39Å; E151-R168 IonicContact OE1-CZ 3.79Å; E151-R168 IonicContact OE1-NH1 2.92Å; E151-R168 PolarHBondContact OE1-NH1 3.44Å; E151-R168 IonicContact OE2-NH1 2.85Å; E151-R168 PolarHBondContact OE2-NH1 3.22Å; V164-R168 PolarHBondContact O-N 3.25Å; Y165-R168 WeakPolarHBondContact O-CB 3.13Å; Y165-R168 PolarHBondContact O-N 3.42Å; R166-R168 VanDerWaalsContact C-N 3.29Å; R166-R168 PolarHBondContact O-N 3.36Å; R168-H171 CarbonylContact O-C 2.9Å; R168-S172 WeakPolarHBondContact O-CA 3.41Å; R168-S172 PolarHBondContact O-N 2.7Å
169S82.7Confident82.1Confident62 Ų6272 Ų7243%0.43439%0.386SS..Hα-helixtrans-66.5-41.6-179.7-64.10000112.3Y165 R166 H171Y165-S169 WeakPolarHBondContact CE1-OG 3.44Å; Y165-S169 PolarHBondContact O-N 2.89Å; Y165-S169 PolarHBondContact O-OG 3.36Å; R166-S169 PolarHBondContact O-N 3.1Å; S169-H171 VanDerWaalsContact C-N 3.29Å; S169-H171 PolarHBondContact O-N 3.43Å
170D80.5Confident82.3Confident124 Ų12473.1 Ų73.166%0.66339%0.392SS*.Hα-helixtrans-70.2-28.5-177.5-155.3-110.8000111.8R166R166-D170 VanDerWaalsContact O-CB 3.23Å; R166-D170 WeakPolarHBondContact O-CB 3.29Å; R166-D170 PolarHBondContact O-N 3Å
171H74.7Confident82.4Confident50 Ų5072.2 Ų72.223%0.23138%0.38CS..THydrogen-bonded Turntrans-123.443.4-176.9-61.476.5000112.4C167 R168 S169 L173 N174 A177 A178 N181C167-H171 PolarHBondContact O-N 3.37Å; R168-H171 CarbonylContact O-C 2.9Å; S169-H171 VanDerWaalsContact C-N 3.29Å; S169-H171 PolarHBondContact O-N 3.43Å; H171-L173 PolarHBondContact O-N 3.46Å; H171-L173 VanDerWaalsContact O-N 3.09Å; H171-N174 CarbonylContact O-C 3.4Å; H171-N174 PolarHBondContact O-N 2.89Å; H171-A177 HydrophobicContact CB-CB 4.46Å; H171-A177 VanDerWaalsContact CD2-CB 3.44Å; H171-A177 WeakPolarHBondContact CD2-CB 3.38Å; H171-A178 HydrophobicContact CB-CB 3.73Å; H171-N181 PolarHBondContact CE1-ND2 3.13Å; H171-N181 VanDerWaalsContact CE1-ND2 3.29Å
172S75.3Confident82.5Confident96 Ų9669.1 Ų69.167%0.67136%0.355SS*.THydrogen-bonded Turntrans-58.6-23.8-176.556.20000115R168R168-S172 WeakPolarHBondContact O-CA 3.41Å; R168-S172 PolarHBondContact O-N 2.7Å
173L72.7Confident82.6Confident175 Ų17562.7 Ų62.792%0.91633%0.325SS*.THydrogen-bonded Turntrans-94.3-11.1178.7-64.7166.1000113.4H171H171-L173 PolarHBondContact O-N 3.46Å; H171-L173 VanDerWaalsContact O-N 3.09Å
174N79.3Confident82.8Confident86 Ų8662.1 Ų62.146%0.4632%0.319SS..  trans-143.889-173.8-169.8-13.6000111.6H171 G176 A177 A178H171-N174 CarbonylContact O-C 3.4Å; H171-N174 PolarHBondContact O-N 2.89Å; N174-G176 VanDerWaalsContact C-N 3.28Å; N174-G176 PolarHBondContact O-N 2.95Å; N174-G176 PolarHBondContact OD1-N 3.32Å; N174-A177 HydrophobicContact CB-CB 4.03Å; N174-A177 PolarHBondContact O-N 3.36Å; N174-A177 VanDerWaalsContact O-N 3.1Å; N174-A177 PolarHBondContact OD1-N 2.84Å; N174-A178 PolarHBondContact O-N 3.14Å; N174-A178 VanDerWaalsContact O-N 3.07Å
175T80.4Confident82.8Confident78 Ų7865.1 Ų65.148%0.47933%0.334SS..Hα-helixtrans-56-41.1179.3-45.30000112A177 A178 V179T175-A177 VanDerWaalsContact C-N 3.31Å; T175-A177 PolarHBondContact O-N 3.33Å; T175-A178 VanDerWaalsContact O-CB 3.3Å; T175-A178 WeakPolarHBondContact O-CB 3.43Å; T175-A178 PolarHBondContact O-N 3.49Å; T175-A178 VanDerWaalsContact O-N 3.1Å; T175-V179 HydrophobicContact CG2-CG2 4.26Å; T175-V179 WeakPolarHBondContact O-CG2 3.37Å; T175-V179 PolarHBondContact O-N 3.3Å
176G81.5Confident82.9Confident12 Ų1257.9 Ų57.912%0.12431%0.306CS..Hα-helixtrans-63-36179.100000113A143 N174 L180A143-G176 WeakPolarHBondContact CB-O 3.31Å; N174-G176 VanDerWaalsContact C-N 3.28Å; N174-G176 PolarHBondContact O-N 2.95Å; N174-G176 PolarHBondContact OD1-N 3.32Å; G176-L180 WeakPolarHBondContact O-CB 3.35Å; G176-L180 PolarHBondContact O-N 2.95Å
177A83.2Confident83Confident26 Ų2652.2 Ų52.222%0.21528%0.284CS..Hα-helixtrans-71-37.5173.500000112H171 N174 T175 L180 N181H171-A177 HydrophobicContact CB-CB 4.46Å; H171-A177 VanDerWaalsContact CD2-CB 3.44Å; H171-A177 WeakPolarHBondContact CD2-CB 3.38Å; N174-A177 HydrophobicContact CB-CB 4.03Å; N174-A177 PolarHBondContact O-N 3.36Å; N174-A177 VanDerWaalsContact O-N 3.1Å; N174-A177 PolarHBondContact OD1-N 2.84Å; T175-A177 VanDerWaalsContact C-N 3.31Å; T175-A177 PolarHBondContact O-N 3.33Å; A177-L180 PolarHBondContact O-N 3.48Å; A177-N181 WeakPolarHBondContact O-CB 3.42Å; A177-N181 PolarHBondContact O-N 3.44Å
178A85.7Confident83Confident1 Ų161.5 Ų61.51%0.00832%0.318CS..Hα-helixtrans-59.7-47.4173.300000111.5W150 H171 N174 T175 N181 G182W150-A178 HydrophobicContact CH2-CB 4.26Å; W150-A178 HydrophobicContact CZ2-CB 4.41Å; H171-A178 HydrophobicContact CB-CB 3.73Å; N174-A178 PolarHBondContact O-N 3.14Å; N174-A178 VanDerWaalsContact O-N 3.07Å; T175-A178 VanDerWaalsContact O-CB 3.3Å; T175-A178 WeakPolarHBondContact O-CB 3.43Å; T175-A178 PolarHBondContact O-N 3.49Å; T175-A178 VanDerWaalsContact O-N 3.1Å; A178-N181 PolarHBondContact O-N 3.41Å; A178-G182 PolarHBondContact O-N 3.36Å
179V86.9Confident82.9Confident0 Ų059.4 Ų59.40%033%0.329CS..Hα-helixtrans-63.2-47.7179.2-177.90000110.7A143 L146 W150 T175 N181 G182 L183A143-V179 HydrophobicContact CB-CB 3.86Å; A143-V179 HydrophobicContact CB-CG1 3.8Å; L146-V179 HydrophobicContact CB-CG1 3.93Å; L146-V179 HydrophobicContact CD2-CG1 3.76Å; L146-V179 HydrophobicContact CG-CG1 4.47Å; W150-V179 HydrophobicContact CB-CB 4.26Å; W150-V179 HydrophobicContact CB-CG1 3.83Å; W150-V179 HydrophobicContact CB-CG2 3.54Å; W150-V179 HydrophobicContact CD2-CB 4.46Å; W150-V179 HydrophobicContact CD2-CG2 3.6Å; W150-V179 HydrophobicContact CE3-CG2 4.09Å; W150-V179 HydrophobicContact CG-CB 4.38Å; W150-V179 HydrophobicContact CG-CG1 4.47Å; W150-V179 HydrophobicContact CG-CG2 3.34Å; T175-V179 HydrophobicContact CG2-CG2 4.26Å; T175-V179 WeakPolarHBondContact O-CG2 3.37Å; T175-V179 PolarHBondContact O-N 3.3Å; V179-N181 VanDerWaalsContact C-N 3.32Å; V179-N181 PolarHBondContact O-N 3.01Å; V179-G182 PolarHBondContact O-N 3.24Å; V179-L183 HydrophobicContact CG1-CD1 3.9Å; V179-L183 HydrophobicContact CG1-CG 4.26Å; V179-L183 WeakPolarHBondContact O-CG 3.17Å; V179-L183 PolarHBondContact O-N 3.01Å
180L87.4Confident82.3Confident44 Ų4457.6 Ų57.623%0.2332%0.32CS..Hα-helixtrans-59-45.5178.5177.156.8000111.2L139 A143 G176 A177 G182 L183 V184L139-L180 HydrophobicContact CB-CD1 3.86Å; A143-L180 HydrophobicContact CB-CB 3.78Å; G176-L180 WeakPolarHBondContact O-CB 3.35Å; G176-L180 PolarHBondContact O-N 2.95Å; A177-L180 PolarHBondContact O-N 3.48Å; L180-G182 VanDerWaalsContact C-N 3.32Å; L180-G182 PolarHBondContact O-N 2.68Å; L180-L183 PolarHBondContact O-N 3.41Å; L180-V184 HydrophobicContact CD1-CG2 3.98Å; L180-V184 HydrophobicContact CG-CG2 4.4Å; L180-V184 WeakPolarHBondContact O-CB 3.33Å; L180-V184 VanDerWaalsContact O-CG2 3.25Å; L180-V184 WeakPolarHBondContact O-CG2 3.36Å; L180-V184 PolarHBondContact O-N 3.21Å
181N87.8Confident82.1Confident58 Ų5853.5 Ų53.531%0.3131%0.308SS..Hα-helixtrans-62.4-42.1179.6-156.6-11000111.1H171 A177 A178 V179 V184 L185H171-N181 PolarHBondContact CE1-ND2 3.13Å; H171-N181 VanDerWaalsContact CE1-ND2 3.29Å; A177-N181 WeakPolarHBondContact O-CB 3.42Å; A177-N181 PolarHBondContact O-N 3.44Å; A178-N181 PolarHBondContact O-N 3.41Å; V179-N181 VanDerWaalsContact C-N 3.32Å; V179-N181 PolarHBondContact O-N 3.01Å; N181-V184 PolarHBondContact O-N 3.02Å; N181-L185 WeakPolarHBondContact O-CB 3.42Å; N181-L185 PolarHBondContact O-N 3.37Å
182G86.9Confident81.6Confident0 Ų062.2 Ų62.20%034%0.339CS..Hα-helixtrans-60.6-46.517300000113.4L159 A178 V179 L180 V184 L185 W186L159-G182 WeakPolarHBondContact CD1-O 3.5Å; A178-G182 PolarHBondContact O-N 3.36Å; V179-G182 PolarHBondContact O-N 3.24Å; L180-G182 VanDerWaalsContact C-N 3.32Å; L180-G182 PolarHBondContact O-N 2.68Å; G182-V184 VanDerWaalsContact C-N 3.34Å; G182-V184 PolarHBondContact O-N 2.83Å; G182-L185 WeakPolarHBondContact O-CB 3.46Å; G182-L185 PolarHBondContact O-N 2.88Å; G182-W186 PolarHBondContact O-N 3.19Å
183L85.8Confident81.5Confident1 Ų167.1 Ų67.11%0.00534%0.342CS..Hα-helixtrans-63.5-38.4176.6-72.5172.9000112.4L139 L142 A143 L154 L157 V179 L180 W186 R187 L199L139-L183 HydrophobicContact CB-CB 4.37Å; L139-L183 HydrophobicContact CB-CD1 4.44Å; L139-L183 HydrophobicContact CD1-CB 4.26Å; L139-L183 HydrophobicContact CD2-CB 4.06Å; L139-L183 HydrophobicContact CD2-CD1 4.3Å; L139-L183 HydrophobicContact CG-CB 4.45Å; L142-L183 HydrophobicContact CB-CD1 4.23Å; A143-L183 HydrophobicContact CB-CD1 4.28Å; L154-L183 HydrophobicContact CD2-CD2 3.78Å; L154-L183 HydrophobicContact CD2-CG 4.13Å; L157-L183 HydrophobicContact CD1-CD2 4.35Å; V179-L183 HydrophobicContact CG1-CD1 3.9Å; V179-L183 HydrophobicContact CG1-CG 4.26Å; V179-L183 WeakPolarHBondContact O-CG 3.17Å; V179-L183 PolarHBondContact O-N 3.01Å; L180-L183 PolarHBondContact O-N 3.41Å; L183-W186 PolarHBondContact O-N 3.41Å; L183-R187 PolarHBondContact O-N 3.17Å; L183-L199 HydrophobicContact CD2-CD1 3.9Å
184V87.5Confident81.9Confident16 Ų1658.8 Ų58.810%0.09730%0.299CS..Hα-helixtrans-67.2-40.4175170.30000110.8L139 L180 N181 G182 R187 R188L139-V184 HydrophobicContact CD1-CG2 4.25Å; L180-V184 HydrophobicContact CD1-CG2 3.98Å; L180-V184 HydrophobicContact CG-CG2 4.4Å; L180-V184 WeakPolarHBondContact O-CB 3.33Å; L180-V184 VanDerWaalsContact O-CG2 3.25Å; L180-V184 WeakPolarHBondContact O-CG2 3.36Å; L180-V184 PolarHBondContact O-N 3.21Å; N181-V184 PolarHBondContact O-N 3.02Å; G182-V184 VanDerWaalsContact C-N 3.34Å; G182-V184 PolarHBondContact O-N 2.83Å; V184-R187 PolarHBondContact O-N 3.07Å; V184-R188 HydrophobicContact CG1-CG 4.49Å; V184-R188 WeakPolarHBondContact O-CB 3.28Å; V184-R188 VanDerWaalsContact O-CG 3.3Å; V184-R188 WeakPolarHBondContact O-CG 3.47Å; V184-R188 PolarHBondContact O-N 3.46Å
185L85.9Confident82.2Confident68 Ų6855.6 Ų55.636%0.35628%0.282SS..Hα-helixtrans-60.4-46.2173-95152.5000111.5L159 N181 G182 R187 R188 A189L159-L185 HydrophobicContact CD2-CB 4.05Å; N181-L185 WeakPolarHBondContact O-CB 3.42Å; N181-L185 PolarHBondContact O-N 3.37Å; G182-L185 WeakPolarHBondContact O-CB 3.46Å; G182-L185 PolarHBondContact O-N 2.88Å; L185-R187 PolarHBondContact O-N 3.04Å; L185-R188 PolarHBondContact O-N 3.37Å; L185-A189 WeakPolarHBondContact O-CB 3.49Å; L185-A189 PolarHBondContact O-N 3.31Å
186W86.3Confident82.3Confident8 Ų851.9 Ų51.93%0.0326%0.26CS..Hα-helixtrans-58.9-46.9173.8164.872.3000111.7P134 L157 L159 G182 L183 R188 A189 G190 A194 R198 L199P134-W186 HydrophobicContact CG-CH2 4.35Å; P134-W186 HydrophobicContact CG-CZ3 3.87Å; L157-W186 HydrophobicContact CB-CG 4.14Å; L157-W186 HydrophobicContact CD1-CD2 4.02Å; L157-W186 HydrophobicContact CD1-CE3 4.44Å; L157-W186 HydrophobicContact CD1-CG 4.17Å; L157-W186 HydrophobicContact CD2-CD2 4.49Å; L157-W186 HydrophobicContact CD2-CZ2 3.78Å; L157-W186 PolarHBondContact O-NE1 3.45Å; L159-W186 HydrophobicContact CD1-CB 3.73Å; L159-W186 HydrophobicContact CG-CB 4.14Å; G182-W186 PolarHBondContact O-N 3.19Å; L183-W186 PolarHBondContact O-N 3.41Å; W186-R188 VanDerWaalsContact C-N 3.3Å; W186-R188 PolarHBondContact O-N 2.75Å; W186-A189 PolarHBondContact O-N 2.85Å; W186-G190 WeakPolarHBondContact O-CA 3.26Å; W186-G190 PolarHBondContact O-N 2.88Å; W186-A194 HydrophobicContact CD2-CB 4.07Å; W186-A194 HydrophobicContact CE3-CB 4.17Å; W186-A194 HydrophobicContact CH2-CB 3.73Å; W186-A194 HydrophobicContact CZ2-CB 3.61Å; W186-A194 HydrophobicContact CZ3-CB 3.99Å; W186-R198 HydrophobicContact CZ2-CB 4.39Å; W186-R198 HydrophobicContact CZ2-CG 4.48Å; W186-L199 HydrophobicContact CE3-CD1 3.88Å; W186-L199 HydrophobicContact CH2-CB 4.15Å; W186-L199 HydrophobicContact CH2-CD1 3.49Å; W186-L199 VanDerWaalsContact CH2-CD1 3.49Å; W186-L199 HydrophobicContact CH2-CG 4.46Å; W186-L199 HydrophobicContact CZ2-CD1 4.23Å; W186-L199 HydrophobicContact CZ3-CD1 3.3Å
187R86.8Confident82.2Confident54 Ų5452 Ų5220%0.20426%0.26CS..Hα-helixtrans-59.6-41.5176.8-177.2-178.264.5-168.3-5.7111.8V133 P134 D136 L139 L183 V184 L185 G191V133-R187 HydrophobicContact CG1-CG 3.78Å; P134-R187 WeakPolarHBondContact O-CD 3.36Å; P134-R187 PolarHBondContact O-NH1 3.39Å; D136-R187 VanDerWaalsContact N-NH1 3.14Å; D136-R187 IonicContact OD2-CZ 3.42Å; D136-R187 IonicContact OD2-NH1 2.93Å; D136-R187 IonicContact OD2-NH2 3.01Å; D136-R187 PolarHBondContact OD2-NH2 3.11Å; L139-R187 HydrophobicContact CD1-CB 4.4Å; L183-R187 PolarHBondContact O-N 3.17Å; V184-R187 PolarHBondContact O-N 3.07Å; L185-R187 PolarHBondContact O-N 3.04Å; R187-G191 WeakPolarHBondContact O-CA 3.48Å; R187-G191 PolarHBondContact O-N 3.37Å
188R83.4Confident82.2Confident200 Ų20055.4 Ų55.476%0.75527%0.268SS*.Hα-helixtrans-66.2-41.4177.6-75177.1-179.5-163.63112.1V184 L185 W186V184-R188 HydrophobicContact CG1-CG 4.49Å; V184-R188 WeakPolarHBondContact O-CB 3.28Å; V184-R188 VanDerWaalsContact O-CG 3.3Å; V184-R188 WeakPolarHBondContact O-CG 3.47Å; V184-R188 PolarHBondContact O-N 3.46Å; L185-R188 PolarHBondContact O-N 3.37Å; W186-R188 VanDerWaalsContact C-N 3.3Å; W186-R188 PolarHBondContact O-N 2.75Å
189A79.9Confident82.1Confident88 Ų8855.5 Ų55.573%0.72727%0.268SS*.Hα-helixtrans-74.9-36.8179.100000112.8L185 W186L185-A189 WeakPolarHBondContact O-CB 3.49Å; L185-A189 PolarHBondContact O-N 3.31Å; W186-A189 PolarHBondContact O-N 2.85Å
190G71.3Confident81.9Confident24 Ų2456.3 Ų56.325%0.24727%0.272CS..Hα-helixtrans-89.9-19.3-175.800000114.8W186 R192 R193 A194W186-G190 WeakPolarHBondContact O-CA 3.26Å; W186-G190 PolarHBondContact O-N 2.88Å; G190-R192 PolarHBondContact O-N 3.26Å; G190-R192 VanDerWaalsContact O-N 3.14Å; G190-R193 WeakPolarHBondContact O-CA 3.45Å; G190-R193 WeakPolarHBondContact O-CB 3.37Å; G190-R193 PolarHBondContact O-N 3.24Å; G190-A194 PolarHBondContact O-N 2.86Å
191G74.6Confident81.6Confident38 Ų3862 Ų6239%0.39229%0.29SS..G310 helixtrans48.2-117.1176.100000113R187 R193 A194R187-G191 WeakPolarHBondContact O-CA 3.48Å; R187-G191 PolarHBondContact O-N 3.37Å; G191-R193 VanDerWaalsContact C-N 3.25Å; G191-R193 PolarHBondContact O-N 2.9Å; G191-A194 PolarHBondContact O-N 3.33Å
192R66.1Low81.4Confident234 Ų23459.2 Ų59.288%0.88328%0.276SS*.G310 helixtrans-70.8-12.6178.6-72.2-172-87.5-137.7-2115G190G190-R192 PolarHBondContact O-N 3.26Å; G190-R192 VanDerWaalsContact O-N 3.14Å
193R71.7Confident81.2Confident198 Ų19859.2 Ų59.275%0.74728%0.276SS*.G310 helixtrans-95.7-9.3177.4-52.6178.795177.66.6112.1G190 G191 T195G190-R193 WeakPolarHBondContact O-CA 3.45Å; G190-R193 WeakPolarHBondContact O-CB 3.37Å; G190-R193 PolarHBondContact O-N 3.24Å; G191-R193 VanDerWaalsContact C-N 3.25Å; G191-R193 PolarHBondContact O-N 2.9Å; R193-T195 PolarHBondContact O-N 3.49Å
194A81.3Confident80.8Confident0 Ų064.2 Ų64.20%030%0.299CS..  trans-8166.8173.900000109.7P134 W186 G190 G191P134-A194 WeakPolarHBondContact CD-O 3.23Å; W186-A194 HydrophobicContact CD2-CB 4.07Å; W186-A194 HydrophobicContact CE3-CB 4.17Å; W186-A194 HydrophobicContact CH2-CB 3.73Å; W186-A194 HydrophobicContact CZ2-CB 3.61Å; W186-A194 HydrophobicContact CZ3-CB 3.99Å; G190-A194 PolarHBondContact O-N 2.86Å; G191-A194 PolarHBondContact O-N 3.33Å
195T85.4Confident80.3Confident19 Ų1966.8 Ų66.812%0.11732%0.322CS..  trans-92.4154.6-178.8610000111.2L130 Q131 R132 R193 G197 R198 L199L130-T195 WeakPolarHBondContact O-CB 3.45Å; Q131-T195 WeakPolarHBondContact O-CG2 3.48Å; R132-T195 WeakPolarHBondContact O-CA 3.32Å; R193-T195 PolarHBondContact O-N 3.49Å; T195-G197 PolarHBondContact O-N 2.87Å; T195-R198 WeakPolarHBondContact O-CB 3.32Å; T195-R198 PolarHBondContact O-N 3.23Å; T195-R198 PolarHBondContact OG1-N 2.87Å; T195-L199 PolarHBondContact O-N 3.35Å; T195-L199 VanDerWaalsContact O-N 3.12Å
196V82.1Confident79.7Confident1 Ų164 Ų641%0.00631%0.309CS..Hα-helixtrans-54.1-38.3174.5172.70000110.8V129 L130 R132 P134 R198 L199 L200 L213 V217V129-V196 WeakPolarHBondContact O-CB 3.37Å; L130-V196 HydrophobicContact CD2-CG1 4.22Å; L130-V196 PolarHBondContact O-N 3.15Å; R132-V196 WeakPolarHBondContact O-CG2 3.12Å; R132-V196 PolarHBondContact O-N 2.94Å; P134-V196 HydrophobicContact CB-CG2 4.07Å; P134-V196 HydrophobicContact CG-CG2 4.42Å; V196-R198 VanDerWaalsContact C-N 3.31Å; V196-R198 PolarHBondContact O-N 3.45Å; V196-L199 CarbonylContact O-C 3.52Å; V196-L199 WeakPolarHBondContact O-CA 3.45Å; V196-L199 VanDerWaalsContact O-CB 3.31Å; V196-L199 WeakPolarHBondContact O-CB 3.44Å; V196-L199 PolarHBondContact O-N 2.87Å; V196-L199 VanDerWaalsContact O-N 3.12Å; V196-L200 PolarHBondContact O-N 3.27Å; V196-L213 HydrophobicContact CG1-CD1 4.1Å; V196-L213 HydrophobicContact CG1-CD2 3.44Å; V196-L213 VanDerWaalsContact CG1-CD2 3.44Å; V196-L213 HydrophobicContact CG1-CG 3.9Å; V196-V217 HydrophobicContact CG1-CG2 4.46Å
197G80.1Confident78.9Confident13 Ų1369 Ų6913%0.13434%0.337CS..Hα-helixtrans-70.1-20176.600000115.1L130 T195 R201L130-G197 PolarHBondContact O-N 3.42Å; T195-G197 PolarHBondContact O-N 2.87Å; G197-R201 PolarHBondContact O-N 3.44Å; G197-R201 PolarHBondContact O-NE 3.4Å
198R83.1Confident78Confident99 Ų9968.2 Ų68.237%0.37434%0.336SS..Hα-helixtrans-79.1-35.9168-174.2163.8-177123.73.5110.9L157 W186 T195 V196 S202L157-R198 HydrophobicContact CD2-CG 4.11Å; W186-R198 HydrophobicContact CZ2-CB 4.39Å; W186-R198 HydrophobicContact CZ2-CG 4.48Å; T195-R198 WeakPolarHBondContact O-CB 3.32Å; T195-R198 PolarHBondContact O-N 3.23Å; T195-R198 PolarHBondContact OG1-N 2.87Å; V196-R198 VanDerWaalsContact C-N 3.31Å; V196-R198 PolarHBondContact O-N 3.45Å; R198-S202 PolarHBondContact O-N 2.88Å
199L84.5Confident76.9Confident2 Ų262.4 Ų62.41%0.0132%0.317CS..Hα-helixtrans-62.6-45.4172.5-150.3102.6000111.6L142 L157 L183 W186 T195 V196 R201 S202 L203 L213L142-L199 HydrophobicContact CD1-CD2 3.42Å; L142-L199 VanDerWaalsContact CD1-CD2 3.42Å; L142-L199 HydrophobicContact CD2-CD2 3.98Å; L142-L199 HydrophobicContact CG-CD2 4.33Å; L157-L199 HydrophobicContact CD1-CD1 3.74Å; L157-L199 HydrophobicContact CD2-CD1 4.46Å; L183-L199 HydrophobicContact CD2-CD1 3.9Å; W186-L199 HydrophobicContact CE3-CD1 3.88Å; W186-L199 HydrophobicContact CH2-CB 4.15Å; W186-L199 HydrophobicContact CH2-CD1 3.49Å; W186-L199 VanDerWaalsContact CH2-CD1 3.49Å; W186-L199 HydrophobicContact CH2-CG 4.46Å; W186-L199 HydrophobicContact CZ2-CD1 4.23Å; W186-L199 HydrophobicContact CZ3-CD1 3.3Å; T195-L199 PolarHBondContact O-N 3.35Å; T195-L199 VanDerWaalsContact O-N 3.12Å; V196-L199 CarbonylContact O-C 3.52Å; V196-L199 WeakPolarHBondContact O-CA 3.45Å; V196-L199 VanDerWaalsContact O-CB 3.31Å; V196-L199 WeakPolarHBondContact O-CB 3.44Å; V196-L199 PolarHBondContact O-N 2.87Å; V196-L199 VanDerWaalsContact O-N 3.12Å; L199-R201 PolarHBondContact O-N 3.41Å; L199-S202 PolarHBondContact O-N 2.92Å; L199-S202 VanDerWaalsContact O-N 3.16Å; L199-L203 HydrophobicContact CD2-CD1 4.01Å; L199-L203 VanDerWaalsContact O-CG 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.3Å; L199-L203 PolarHBondContact O-N 2.86Å; L199-L213 HydrophobicContact CD2-CD1 3.64Å
200L81.6Confident76.4Confident17 Ų1759.3 Ų59.39%0.08929%0.29CS..Hα-helixtrans-53.6-53.7176.3-16975.6000111.8I125 L130 V196 S202 L203 E204 P210 L213I125-L200 HydrophobicContact CD1-CD1 4.43Å; L130-L200 HydrophobicContact CD2-CD2 4.01Å; V196-L200 PolarHBondContact O-N 3.27Å; L200-S202 PolarHBondContact O-N 3.24Å; L200-L203 WeakPolarHBondContact O-CB 3.46Å; L200-L203 PolarHBondContact O-N 3Å; L200-L203 VanDerWaalsContact O-N 3.13Å; L200-E204 WeakPolarHBondContact O-CG 3.25Å; L200-E204 PolarHBondContact O-N 3.47Å; L200-P210 HydrophobicContact CD1-CB 3.33Å; L200-P210 HydrophobicContact CG-CB 4.35Å; L200-L213 HydrophobicContact CB-CD2 3.76Å; L200-L213 HydrophobicContact CD1-CB 4.36Å; L200-L213 HydrophobicContact CD1-CD2 3.64Å; L200-L213 HydrophobicContact CG-CD2 4.34Å
201R81.8Confident76.2Confident163 Ų16360 Ų6062%0.61529%0.291SS*.Hα-helixtrans-60.3-34.5179.1-81.6-175.6-74.2164.6-9.5113.4G197 L199 A205G197-R201 PolarHBondContact O-N 3.44Å; G197-R201 PolarHBondContact O-NE 3.4Å; L199-R201 PolarHBondContact O-N 3.41Å; R201-A205 WeakPolarHBondContact O-CB 3.36Å; R201-A205 PolarHBondContact O-N 3.35Å
202S84.3Confident76Confident1 Ų159.7 Ų59.71%0.00728%0.281CS..Hα-helixtrans-74.9-35.7178.3-164.10000112.3V153 D156 L157 R198 L199 L200 A205 A206V153-S202 PolarHBondContact O-OG 2.97Å; V153-S202 VanDerWaalsContact O-OG 3.06Å; D156-S202 WeakPolarHBondContact CB-OG 3.49Å; D156-S202 VanDerWaalsContact OD1-CA 3.3Å; D156-S202 WeakPolarHBondContact OD1-CA 3.13Å; D156-S202 WeakPolarHBondContact OD1-CB 3.49Å; D156-S202 PolarHBondContact OD1-OG 2.83Å; L157-S202 WeakPolarHBondContact CG-OG 3.09Å; R198-S202 PolarHBondContact O-N 2.88Å; L199-S202 PolarHBondContact O-N 2.92Å; L199-S202 VanDerWaalsContact O-N 3.16Å; L200-S202 PolarHBondContact O-N 3.24Å; S202-A205 PolarHBondContact O-N 3.1Å; S202-A206 PolarHBondContact O-N 3.1Å; S202-A206 VanDerWaalsContact O-N 3.07Å
203L82.4Confident76.5Confident0 Ų048.5 Ų48.50%024%0.239CC..Hα-helixtrans-62.4-47.1169.6-68.4168.9000110.5L142 L146 V153 L199 L200 A205 A206 D207 L208 L213L142-L203 HydrophobicContact CD2-CD1 4.21Å; L146-L203 HydrophobicContact CD1-CD2 3.47Å; L146-L203 VanDerWaalsContact CD1-CD2 3.47Å; V153-L203 HydrophobicContact CG1-CD2 4.3Å; V153-L203 HydrophobicContact CG2-CD2 4.13Å; L199-L203 HydrophobicContact CD2-CD1 4.01Å; L199-L203 VanDerWaalsContact O-CG 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.3Å; L199-L203 PolarHBondContact O-N 2.86Å; L200-L203 WeakPolarHBondContact O-CB 3.46Å; L200-L203 PolarHBondContact O-N 3Å; L200-L203 VanDerWaalsContact O-N 3.13Å; L203-A205 VanDerWaalsContact C-N 3.28Å; L203-A205 PolarHBondContact O-N 3.23Å; L203-A206 CarbonylContact O-C 3.59Å; L203-A206 WeakPolarHBondContact O-CA 3.43Å; L203-A206 PolarHBondContact O-N 3.33Å; L203-D207 PolarHBondContact O-N 3.3Å; L203-L208 CarbonylContact C-O 3.42Å; L203-L208 HydrophobicContact CB-CB 4.11Å; L203-L208 HydrophobicContact CD2-CB 4.15Å; L203-L208 HydrophobicContact CD2-CD1 3.57Å; L203-L208 WeakPolarHBondContact O-CA 3.39Å; L203-L208 WeakPolarHBondContact O-CB 3.32Å; L203-L208 PolarHBondContact O-N 3.42Å; L203-L213 HydrophobicContact CD1-CB 3.95Å; L203-L213 HydrophobicContact CD1-CD2 4.42Å
204E77.1Confident76.4Confident106 Ų10640.5 Ų40.550%0.49521%0.21SC..Hα-helixtrans-59.5-38.3175.3-6917594.600112.1L200 A206 D207L200-E204 WeakPolarHBondContact O-CG 3.25Å; L200-E204 PolarHBondContact O-N 3.47Å; E204-A206 VanDerWaalsContact C-N 3.27Å; E204-A206 PolarHBondContact O-N 3.01Å; E204-D207 PolarHBondContact O-N 3.11Å
205A77.7Confident75.8Confident69 Ų6945.8 Ų45.857%0.5724%0.235SC*.Hα-helixtrans-67.7-26.7175.800000113.2R201 S202 L203 D207R201-A205 WeakPolarHBondContact O-CB 3.36Å; R201-A205 PolarHBondContact O-N 3.35Å; S202-A205 PolarHBondContact O-N 3.1Å; L203-A205 VanDerWaalsContact C-N 3.28Å; L203-A205 PolarHBondContact O-N 3.23Å; A205-D207 VanDerWaalsContact C-N 3.3Å
206A72.6Confident75.2Confident11 Ų1145.1 Ų45.19%0.09123%0.231CC..THydrogen-bonded Turntrans-9219.5174.600000112.9V153 S202 L203 E204 L208V153-A206 HydrophobicContact CG2-CB 3.38Å; S202-A206 PolarHBondContact O-N 3.1Å; S202-A206 VanDerWaalsContact O-N 3.07Å; L203-A206 CarbonylContact O-C 3.59Å; L203-A206 WeakPolarHBondContact O-CA 3.43Å; L203-A206 PolarHBondContact O-N 3.33Å; E204-A206 VanDerWaalsContact C-N 3.27Å; E204-A206 PolarHBondContact O-N 3.01Å; A206-L208 HydrophobicContact CB-CD1 4.41Å; A206-L208 HydrophobicContact CB-CG 4.37Å; A206-L208 PolarHBondContact O-N 3.47Å
207D69Low74.6Confident113 Ų11346 Ų4660%0.60424%0.236SC*.THydrogen-bonded Turntrans58.616.8-177.6-145.6-121.4000113.9Q19 L203 E204 A205Q19-D207 PolarHBondContact NE2-OD1 3.11Å; L203-D207 PolarHBondContact O-N 3.3Å; E204-D207 PolarHBondContact O-N 3.11Å; A205-D207 VanDerWaalsContact C-N 3.3Å
208L68.4Low73.9Confident37 Ų3750.7 Ų50.719%0.19426%0.258CS..  trans-90.7128.7177.9-66.3175.8000110.7L146 E149 V153 L203 A206L146-L208 HydrophobicContact CD1-CD1 3.53Å; L146-L208 HydrophobicContact CG-CD1 4.36Å; E149-L208 HydrophobicContact CB-CD1 3.72Å; E149-L208 HydrophobicContact CB-CD2 3.99Å; E149-L208 HydrophobicContact CB-CG 4.01Å; E149-L208 HydrophobicContact CG-CD2 3.96Å; E149-L208 HydrophobicContact CG-CG 4.36Å; V153-L208 HydrophobicContact CG2-CD1 3.95Å; L203-L208 CarbonylContact C-O 3.42Å; L203-L208 HydrophobicContact CB-CB 4.11Å; L203-L208 HydrophobicContact CD2-CB 4.15Å; L203-L208 HydrophobicContact CD2-CD1 3.57Å; L203-L208 WeakPolarHBondContact O-CA 3.39Å; L203-L208 WeakPolarHBondContact O-CB 3.32Å; L203-L208 PolarHBondContact O-N 3.42Å; A206-L208 HydrophobicContact CB-CD1 4.41Å; A206-L208 HydrophobicContact CB-CG 4.37Å; A206-L208 PolarHBondContact O-N 3.47Å
209H60.8Low72.6Confident77 Ų7750.7 Ų50.736%0.35628%0.279SS..  trans-67.3139.1-176.8-161.1-93.1000111.9W81 S211 V212W81-H209 HydrophobicContact CB-CB 4.4Å; W81-H209 HydrophobicContact CG-CB 4.48Å; H209-S211 PolarHBondContact CE1-OG 2.98Å; H209-S211 WeakPolarHBondContact ND1-CB 3.45Å; H209-S211 PolarHBondContact ND1-N 3.19Å; H209-S211 PolarHBondContact ND1-OG 3.43Å; H209-S211 PolarHBondContact O-N 2.88Å; H209-V212 PolarHBondContact O-N 3.48Å; H209-V212 VanDerWaalsContact O-N 3.15Å
210P68.3Low72Confident23 Ų2353.2 Ų53.215%0.14929%0.293CS..THydrogen-bonded Turntrans-55-21179.222.8-37.8000114.5L200 V212 L213 E214L200-P210 HydrophobicContact CD1-CB 3.33Å; L200-P210 HydrophobicContact CG-CB 4.35Å; P210-V212 VanDerWaalsContact C-N 3.25Å; P210-V212 PolarHBondContact O-N 2.88Å; P210-L213 WeakPolarHBondContact O-CA 3.43Å; P210-L213 VanDerWaalsContact O-CB 3.28Å; P210-L213 WeakPolarHBondContact O-CB 3.3Å; P210-L213 PolarHBondContact O-N 3.04Å; P210-E214 PolarHBondContact O-N 3.21Å; P210-E214 VanDerWaalsContact O-N 3.1Å
211S67Low71.5Confident39 Ų3955.1 Ų55.127%0.27330%0.303SS..Hα-helixtrans-64.4-24.9179.3-54.20000114.7H209 L213 E214 E215H209-S211 PolarHBondContact CE1-OG 2.98Å; H209-S211 WeakPolarHBondContact ND1-CB 3.45Å; H209-S211 PolarHBondContact ND1-N 3.19Å; H209-S211 PolarHBondContact ND1-OG 3.43Å; H209-S211 PolarHBondContact O-N 2.88Å; S211-L213 PolarHBondContact O-N 3.24Å; S211-E214 WeakPolarHBondContact CA-OE2 3.44Å; S211-E214 PolarHBondContact O-N 3.4Å; S211-E214 PolarHBondContact OG-OE2 3.18Å; S211-E215 WeakPolarHBondContact O-CG 3.27Å; S211-E215 PolarHBondContact O-N 3.29Å
212V70.4Confident70.9Confident31 Ų3149.1 Ų49.119%0.18829%0.286CS..Hα-helixtrans-62.1-35.6172.4-1780000110.6L142 R145 H209 P210 A216L142-V212 HydrophobicContact CD2-CG1 4.2Å; R145-V212 HydrophobicContact CB-CG1 3.69Å; H209-V212 PolarHBondContact O-N 3.48Å; H209-V212 VanDerWaalsContact O-N 3.15Å; P210-V212 VanDerWaalsContact C-N 3.25Å; P210-V212 PolarHBondContact O-N 2.88Å; V212-A216 WeakPolarHBondContact O-CB 3.38Å; V212-A216 PolarHBondContact O-N 3.09Å
213L76.4Confident70.1Confident0 Ų051.9 Ų51.90%030%0.303CS..Hα-helixtrans-75.2-42.2174.9-172.458.3000111.6I125 L142 V196 L199 L200 L203 P210 S211 E215 A216 V217I125-L213 HydrophobicContact CD1-CB 4.49Å; I125-L213 HydrophobicContact CD1-CD2 4.19Å; I125-L213 HydrophobicContact CD1-CG 4.14Å; L142-L213 HydrophobicContact CD1-CD1 3.6Å; L142-L213 HydrophobicContact CD2-CD1 4.25Å; L142-L213 HydrophobicContact CG-CD1 4.28Å; V196-L213 HydrophobicContact CG1-CD1 4.1Å; V196-L213 HydrophobicContact CG1-CD2 3.44Å; V196-L213 VanDerWaalsContact CG1-CD2 3.44Å; V196-L213 HydrophobicContact CG1-CG 3.9Å; L199-L213 HydrophobicContact CD2-CD1 3.64Å; L200-L213 HydrophobicContact CB-CD2 3.76Å; L200-L213 HydrophobicContact CD1-CB 4.36Å; L200-L213 HydrophobicContact CD1-CD2 3.64Å; L200-L213 HydrophobicContact CG-CD2 4.34Å; L203-L213 HydrophobicContact CD1-CB 3.95Å; L203-L213 HydrophobicContact CD1-CD2 4.42Å; P210-L213 WeakPolarHBondContact O-CA 3.43Å; P210-L213 VanDerWaalsContact O-CB 3.28Å; P210-L213 WeakPolarHBondContact O-CB 3.3Å; P210-L213 PolarHBondContact O-N 3.04Å; S211-L213 PolarHBondContact O-N 3.24Å; L213-E215 PolarHBondContact O-N 3.07Å; L213-A216 PolarHBondContact O-N 2.94Å; L213-V217 HydrophobicContact CD1-CG2 3.91Å; L213-V217 HydrophobicContact CG-CG2 4.25Å; L213-V217 WeakPolarHBondContact O-CB 3.44Å; L213-V217 VanDerWaalsContact O-CG2 3.23Å; L213-V217 WeakPolarHBondContact O-CG2 3.35Å; L213-V217 PolarHBondContact O-N 3.18Å
214E70.4Confident69.4Low30 Ų3055.1 Ų55.114%0.1432%0.321CS..Hα-helixtrans-56.4-49.6178-65.5-179.1107.900111.5R124 I125 P210 S211 A216 V217 L218R124-E214 WeakPolarHBondContact CB-OE1 3.44Å; R124-E214 PolarHBondContact N-OE1 3.45Å; R124-E214 VanDerWaalsContact N-OE1 3.17Å; I125-E214 HydrophobicContact CD1-CG 3.68Å; I125-E214 HydrophobicContact CG1-CB 4.47Å; I125-E214 HydrophobicContact CG1-CG 3.51Å; P210-E214 PolarHBondContact O-N 3.21Å; P210-E214 VanDerWaalsContact O-N 3.1Å; S211-E214 WeakPolarHBondContact CA-OE2 3.44Å; S211-E214 PolarHBondContact O-N 3.4Å; S211-E214 PolarHBondContact OG-OE2 3.18Å; E214-A216 VanDerWaalsContact C-N 3.33Å; E214-A216 PolarHBondContact O-N 3.16Å; E214-V217 PolarHBondContact O-N 3.42Å; E214-L218 HydrophobicContact CB-CD1 4.36Å; E214-L218 WeakPolarHBondContact O-CB 3.44Å; E214-L218 VanDerWaalsContact O-CG 3.31Å; E214-L218 WeakPolarHBondContact O-CG 3.34Å; E214-L218 PolarHBondContact O-N 3.23Å
215E68.7Low68.9Low111 Ų11151.7 Ų51.752%0.51931%0.31SS..Hα-helixtrans-65.6-35.5178.8-67.7-164.9111.300112.4R145 S211 L213 V217 A219R145-E215 IonicContact NH1-OE2 3.87Å; R145-E215 PolarHBondContact NH1-OE2 3Å; S211-E215 WeakPolarHBondContact O-CG 3.27Å; S211-E215 PolarHBondContact O-N 3.29Å; L213-E215 PolarHBondContact O-N 3.07Å; E215-V217 VanDerWaalsContact C-N 3.33Å; E215-V217 PolarHBondContact O-N 3.45Å; E215-A219 WeakPolarHBondContact O-CB 3.23Å; E215-A219 PolarHBondContact O-N 2.92Å
216A72.1Confident68.2Low5 Ų550.5 Ų50.54%0.04129%0.291CS..Hα-helixtrans-69.1-33.3178.500000112.7R141 L142 V212 L213 E214R141-A216 HydrophobicContact CB-CB 4.11Å; R141-A216 PolarHBondContact NH1-O 2.87Å; L142-A216 HydrophobicContact CD1-CB 4.34Å; L142-A216 HydrophobicContact CG-CB 3.8Å; V212-A216 WeakPolarHBondContact O-CB 3.38Å; V212-A216 PolarHBondContact O-N 3.09Å; L213-A216 PolarHBondContact O-N 2.94Å; E214-A216 VanDerWaalsContact C-N 3.33Å; E214-A216 PolarHBondContact O-N 3.16Å
217V69.9Low67.9Low18 Ų1853.5 Ų53.511%0.10931%0.307CS..Hα-helixtrans-92.7-30.7-173.9172.90000113V129 E138 V196 L213 E214 E215V129-V217 HydrophobicContact CG1-CG1 3.33Å; E138-V217 HydrophobicContact CG-CG2 4.47Å; V196-V217 HydrophobicContact CG1-CG2 4.46Å; L213-V217 HydrophobicContact CD1-CG2 3.91Å; L213-V217 HydrophobicContact CG-CG2 4.25Å; L213-V217 WeakPolarHBondContact O-CB 3.44Å; L213-V217 VanDerWaalsContact O-CG2 3.23Å; L213-V217 WeakPolarHBondContact O-CG2 3.35Å; L213-V217 PolarHBondContact O-N 3.18Å; E214-V217 PolarHBondContact O-N 3.42Å; E215-V217 VanDerWaalsContact C-N 3.33Å; E215-V217 PolarHBondContact O-N 3.45Å
218L64.8Low67.8Low112 Ų11248.6 Ų48.659%0.58628%0.282SS*.Hα-helixtrans-93.1-1.8-178.8-64.4172000114.3E214E214-L218 HydrophobicContact CB-CD1 4.36Å; E214-L218 WeakPolarHBondContact O-CB 3.44Å; E214-L218 VanDerWaalsContact O-CG 3.31Å; E214-L218 WeakPolarHBondContact O-CG 3.34Å; E214-L218 PolarHBondContact O-N 3.23Å
219A56.5Low67.7Low100 Ų10049.6 Ų49.683%0.82629%0.29SS*.  trans-93.20178.400000114.8R141 E215R141-A219 PolarHBondContact NH1-O 3.35Å; R141-A219 PolarHBondContact NH1-OXT 2.85Å; R141-A219 PolarHBondContact NH2-OXT 3.29Å; E215-A219 WeakPolarHBondContact O-CB 3.23Å; E215-A219 PolarHBondContact O-N 2.92Å

Retrieved 219 of 219 residues in 43.1 ms (Link to these results)

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