A0A087YRQ3_POEFO Loading...

FA complementation group F

AlphaFold DB , UniProt , Accession A0A087YRQ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 343 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
1M83.2Confident89.7Confident131 Ų13166.5 Ų66.565%0.64533%0.331SS*.  0-40.80-164.2154.9-79.600111.4A3 V4 L5 I55M1-A3 PolarHBondContact O-N 3.48Å; M1-V4 WeakPolarHBondContact O-CB 3.47Å; M1-V4 PolarHBondContact O-N 2.94Å; M1-L5 PolarHBondContact O-N 3.38Å; M1-I55 HydrophobicContact CE-CD1 3.85Å; M1-I55 HydrophobicContact CE-CG1 3.84Å; M1-I55 HydrophobicContact CE-CG2 4.11Å
2E84.9Confident89.9Confident168 Ų16860.9 Ų60.979%0.78530%0.303SS*.Hα-helixtrans-52.4-43.5177.5-65.9175.4175.400115.2V4 L5 K6E2-V4 VanDerWaalsContact C-N 3.27Å; E2-V4 PolarHBondContact O-N 3.14Å; E2-L5 PolarHBondContact O-N 3.39Å; E2-K6 PolarHBondContact O-N 3.33Å
3A88.4Confident90.1Very high67 Ų6763.4 Ų63.455%0.55431%0.313SS*.Hα-helixtrans-61-35.5177.200000112.9M1 N7M1-A3 PolarHBondContact O-N 3.48Å; A3-N7 WeakPolarHBondContact O-CB 3.41Å; A3-N7 PolarHBondContact O-N 3.37Å; A3-N7 PolarHBondContact O-ND2 3.08Å; A3-N7 PolarHBondContact O-OD1 3.38Å
4V88.6Confident90.4Very high38 Ų3861.6 Ų61.623%0.2331%0.305CS..Hα-helixtrans-67.1-45.8176.7179.30000109.9M1 E2 K6 N7 V8 I45 L59M1-V4 WeakPolarHBondContact O-CB 3.47Å; M1-V4 PolarHBondContact O-N 2.94Å; E2-V4 VanDerWaalsContact C-N 3.27Å; E2-V4 PolarHBondContact O-N 3.14Å; V4-K6 VanDerWaalsContact C-N 3.35Å; V4-K6 PolarHBondContact O-N 3.02Å; V4-N7 PolarHBondContact O-N 2.93Å; V4-V8 WeakPolarHBondContact O-CG2 2.99Å; V4-V8 PolarHBondContact O-N 3.27Å; V4-I45 HydrophobicContact CG1-CD1 3.6Å; V4-I45 HydrophobicContact CG1-CG1 4.18Å; V4-I45 HydrophobicContact CG1-CG2 4.42Å; V4-L59 HydrophobicContact CG1-CD2 4.42Å
5L90.3Very high90.5Very high26 Ų2657.5 Ų57.514%0.13629%0.285CS..Hα-helixtrans-61.2-44.2178.3-63171.3000111.7M1 E2 N7 V8 G9 V58 L59 Q62M1-L5 PolarHBondContact O-N 3.38Å; E2-L5 PolarHBondContact O-N 3.39Å; L5-N7 PolarHBondContact O-N 2.84Å; L5-V8 PolarHBondContact O-N 3.49Å; L5-G9 PolarHBondContact O-N 2.92Å; L5-V58 HydrophobicContact CD1-CG1 3.7Å; L5-V58 HydrophobicContact CD2-CG1 3.83Å; L5-V58 HydrophobicContact CG-CG1 4.37Å; L5-L59 HydrophobicContact CD2-CD2 3.71Å; L5-L59 HydrophobicContact CD2-CG 4.21Å; L5-Q62 HydrophobicContact CB-CB 4.42Å; L5-Q62 HydrophobicContact CB-CG 4.02Å; L5-Q62 HydrophobicContact CD2-CB 3.89Å; L5-Q62 HydrophobicContact CD2-CG 4.36Å; L5-Q62 WeakPolarHBondContact O-CG 3.26Å
6K91.4Very high90.5Very high120 Ų12053.9 Ų53.952%0.52227%0.267SS..Hα-helixtrans-62.4-42176.3-174174-177.5175.10112.2E2 V4 G9 R10E2-K6 PolarHBondContact O-N 3.33Å; V4-K6 VanDerWaalsContact C-N 3.35Å; V4-K6 PolarHBondContact O-N 3.02Å; K6-G9 PolarHBondContact O-N 3.39Å; K6-R10 VanDerWaalsContact CE-CZ 3.49Å; K6-R10 VanDerWaalsContact CE-NH2 3.32Å; K6-R10 WeakPolarHBondContact O-CG 3.41Å; K6-R10 PolarHBondContact O-N 3.45Å
7N91.8Very high90.5Very high36 Ų3653.8 Ų53.819%0.19327%0.27CS..Hα-helixtrans-67.2-41.3178.4-70.9-13.6000111.5A3 V4 L5 R10 T11 W38 Y41A3-N7 WeakPolarHBondContact O-CB 3.41Å; A3-N7 PolarHBondContact O-N 3.37Å; A3-N7 PolarHBondContact O-ND2 3.08Å; A3-N7 PolarHBondContact O-OD1 3.38Å; V4-N7 PolarHBondContact O-N 2.93Å; L5-N7 PolarHBondContact O-N 2.84Å; N7-R10 PolarHBondContact O-N 3.07Å; N7-T11 PolarHBondContact O-N 2.92Å; N7-T11 PolarHBondContact O-OG1 2.75Å; N7-T11 VanDerWaalsContact O-OG1 3.05Å; N7-W38 HydrophobicContact CB-CZ3 3.95Å; N7-Y41 HydrophobicContact CB-CE1 3.7Å
8V91.4Very high90.5Very high0 Ų050.8 Ų50.80%026%0.255CS..Hα-helixtrans-60.7-46.5174.7171.20000110.9V4 L5 R10 T11 V12 I45 L59 L63 L85V4-V8 WeakPolarHBondContact O-CG2 2.99Å; V4-V8 PolarHBondContact O-N 3.27Å; L5-V8 PolarHBondContact O-N 3.49Å; V8-R10 VanDerWaalsContact C-N 3.35Å; V8-R10 PolarHBondContact O-N 3.47Å; V8-T11 PolarHBondContact O-N 2.84Å; V8-V12 WeakPolarHBondContact O-CG2 3.37Å; V8-V12 PolarHBondContact O-N 3.49Å; V8-I45 HydrophobicContact CG2-CD1 3.56Å; V8-L59 HydrophobicContact CG2-CD2 4.04Å; V8-L63 HydrophobicContact CG1-CD2 3.68Å; V8-L63 HydrophobicContact CG1-CG 4.35Å; V8-L85 HydrophobicContact CG1-CD1 4.09Å; V8-L85 HydrophobicContact CG1-CD2 4.31Å
9G91.2Very high90.3Very high3 Ų349.1 Ų49.13%0.03125%0.249CC..Hα-helixtrans-56.6-47.3175.400000112.4L5 K6 T11 V12 E13L5-G9 PolarHBondContact O-N 2.92Å; K6-G9 PolarHBondContact O-N 3.39Å; G9-T11 PolarHBondContact O-N 2.94Å; G9-V12 PolarHBondContact O-N 3.49Å; G9-V12 VanDerWaalsContact O-N 3.16Å; G9-E13 WeakPolarHBondContact O-CG 3.45Å; G9-E13 PolarHBondContact O-N 3.4Å
10R92.9Very high90Very high140 Ų14049.9 Ų49.953%0.52825%0.252SS..Hα-helixtrans-63.6-36.7177.4-74.4174.6169.9-166.8-9.3113.8K6 N7 V8 V12 E13 L14K6-R10 VanDerWaalsContact CE-CZ 3.49Å; K6-R10 VanDerWaalsContact CE-NH2 3.32Å; K6-R10 WeakPolarHBondContact O-CG 3.41Å; K6-R10 PolarHBondContact O-N 3.45Å; N7-R10 PolarHBondContact O-N 3.07Å; V8-R10 VanDerWaalsContact C-N 3.35Å; V8-R10 PolarHBondContact O-N 3.47Å; R10-V12 VanDerWaalsContact C-N 3.32Å; R10-E13 PolarHBondContact O-N 2.79Å; R10-L14 WeakPolarHBondContact O-CB 3.47Å; R10-L14 PolarHBondContact O-N 3.35Å
11T92.5Very high89.9Confident2 Ų249.1 Ų49.11%0.01225%0.251CS..Hα-helixtrans-66.3-38.9175-560000110.7N7 V8 G9 L14 L15 W38 C42N7-T11 PolarHBondContact O-N 2.92Å; N7-T11 PolarHBondContact O-OG1 2.75Å; N7-T11 VanDerWaalsContact O-OG1 3.05Å; V8-T11 PolarHBondContact O-N 2.84Å; G9-T11 PolarHBondContact O-N 2.94Å; T11-L14 WeakPolarHBondContact O-CB 3.48Å; T11-L14 PolarHBondContact O-N 3.5Å; T11-L15 WeakPolarHBondContact O-CG 3.35Å; T11-L15 PolarHBondContact O-N 3.14Å; T11-W38 HydrophobicContact CG2-CB 4.14Å; T11-C42 VanDerWaalsContact CB-SG 3.54Å; T11-C42 HydrophobicContact CG2-CB 4.49Å; T11-C42 VanDerWaalsContact CG2-SG 3.6Å; T11-C42 PolarHBondContact OG1-SG 3.43Å
12V92.5Very high90.1Very high0 Ų045.4 Ų45.40%025%0.247CC..Hα-helixtrans-66.3-41.3176.3174.80000111.5V8 G9 R10 L14 L15 A16 L63 T66 L70 Y77 V80V8-V12 WeakPolarHBondContact O-CG2 3.37Å; V8-V12 PolarHBondContact O-N 3.49Å; G9-V12 PolarHBondContact O-N 3.49Å; G9-V12 VanDerWaalsContact O-N 3.16Å; R10-V12 VanDerWaalsContact C-N 3.32Å; V12-L14 VanDerWaalsContact C-N 3.31Å; V12-L14 PolarHBondContact O-N 2.67Å; V12-L15 WeakPolarHBondContact O-CB 3.46Å; V12-L15 PolarHBondContact O-N 3.27Å; V12-A16 PolarHBondContact O-N 2.84Å; V12-L63 HydrophobicContact CG2-CD2 3.59Å; V12-T66 HydrophobicContact CB-CG2 4.28Å; V12-T66 HydrophobicContact CG1-CG2 4.17Å; V12-L70 HydrophobicContact CG1-CD1 3.79Å; V12-Y77 WeakPolarHBondContact CG1-OH 3.4Å; V12-V80 HydrophobicContact CG1-CB 4.15Å; V12-V80 HydrophobicContact CG1-CG2 4.11Å; V12-V80 HydrophobicContact CG2-CB 4.39Å; V12-V80 HydrophobicContact CG2-CG1 4.2Å
13E92.6Very high90.3Very high93 Ų9340.9 Ų40.944%0.43523%0.23SC..Hα-helixtrans-58.1-44.6170.5-69.3167.1-176.100111.4G9 R10 L15 A16 V17 T66 L70G9-E13 WeakPolarHBondContact O-CG 3.45Å; G9-E13 PolarHBondContact O-N 3.4Å; R10-E13 PolarHBondContact O-N 2.79Å; E13-L15 VanDerWaalsContact C-N 3.33Å; E13-L15 PolarHBondContact O-N 3.33Å; E13-A16 WeakPolarHBondContact O-CB 3.33Å; E13-A16 PolarHBondContact O-N 3.18Å; E13-V17 WeakPolarHBondContact O-CG2 3.48Å; E13-V17 PolarHBondContact O-N 3.16Å; E13-T66 HydrophobicContact CG-CG2 4.18Å; E13-L70 HydrophobicContact CG-CD1 4.45Å; E13-L70 HydrophobicContact CG-CD2 4.19Å
14L93.7Very high90.5Very high39 Ų3937.7 Ų37.720%0.20420%0.204CC..Hα-helixtrans-62-39.5176.8171.4135.5000112.3R10 T11 V12 V17 A18 W27 A35 L92R10-L14 WeakPolarHBondContact O-CB 3.47Å; R10-L14 PolarHBondContact O-N 3.35Å; T11-L14 WeakPolarHBondContact O-CB 3.48Å; T11-L14 PolarHBondContact O-N 3.5Å; V12-L14 VanDerWaalsContact C-N 3.31Å; V12-L14 PolarHBondContact O-N 2.67Å; L14-V17 PolarHBondContact O-N 3.41Å; L14-A18 WeakPolarHBondContact O-CB 3.43Å; L14-A18 PolarHBondContact O-N 3.22Å; L14-W27 HydrophobicContact CG-CH2 4.33Å; L14-A35 HydrophobicContact CD1-CB 3.95Å; L14-A35 HydrophobicContact CD2-CB 3.89Å; L14-A35 HydrophobicContact CG-CB 4.38Å; L14-L92 HydrophobicContact CD2-CD1 4.16Å
15L92Very high90.7Very high0 Ų041.1 Ų41.10%022%0.221CC..Hα-helixtrans-62.9-43.5173.6-71.7171.3000111T11 V12 E13 V17 A18 A19 V80 L92 W95T11-L15 WeakPolarHBondContact O-CG 3.35Å; T11-L15 PolarHBondContact O-N 3.14Å; V12-L15 WeakPolarHBondContact O-CB 3.46Å; V12-L15 PolarHBondContact O-N 3.27Å; E13-L15 VanDerWaalsContact C-N 3.33Å; E13-L15 PolarHBondContact O-N 3.33Å; L15-V17 VanDerWaalsContact C-N 3.34Å; L15-V17 PolarHBondContact O-N 2.93Å; L15-A18 WeakPolarHBondContact O-CB 3.46Å; L15-A18 PolarHBondContact O-N 2.93Å; L15-A19 PolarHBondContact O-N 3.35Å; L15-V80 HydrophobicContact CD1-CG2 4.43Å; L15-L92 HydrophobicContact CD2-CB 3.59Å; L15-L92 HydrophobicContact CD2-CD1 3.94Å; L15-L92 HydrophobicContact CD2-CG 4.32Å; L15-W95 HydrophobicContact CB-CE3 3.68Å; L15-W95 HydrophobicContact CB-CZ3 3.46Å; L15-W95 VanDerWaalsContact CB-CZ3 3.46Å; L15-W95 HydrophobicContact CD1-CZ3 4.42Å; L15-W95 HydrophobicContact CD2-CE3 4.27Å; L15-W95 HydrophobicContact CG-CZ3 4.36Å; L15-W95 VanDerWaalsContact O-CE3 3.32Å
16A90.5Very high90.8Very high0 Ų047.6 Ų47.60%025%0.25CS..Hα-helixtrans-62.3-40.3176.300000112.4V12 E13 A19 H20 L70 L74 Y77V12-A16 PolarHBondContact O-N 2.84Å; E13-A16 WeakPolarHBondContact O-CB 3.33Å; E13-A16 PolarHBondContact O-N 3.18Å; A16-A19 PolarHBondContact O-N 3.4Å; A16-H20 PolarHBondContact O-N 2.67Å; A16-L70 HydrophobicContact CB-CD1 4.04Å; A16-L70 HydrophobicContact CB-CD2 4.04Å; A16-L74 HydrophobicContact CB-CD1 4.2Å; A16-Y77 HydrophobicContact CB-CD2 3.67Å; A16-Y77 HydrophobicContact CB-CE2 3.61Å
17V90.5Very high90.9Very high51 Ų5143.2 Ų43.231%0.30923%0.231SC..Hα-helixtrans-62.5-45.1173.8171.70000110.7E13 L14 L15 A19 S21 V24 W27E13-V17 WeakPolarHBondContact O-CG2 3.48Å; E13-V17 PolarHBondContact O-N 3.16Å; L14-V17 PolarHBondContact O-N 3.41Å; L15-V17 VanDerWaalsContact C-N 3.34Å; L15-V17 PolarHBondContact O-N 2.93Å; V17-A19 VanDerWaalsContact C-N 3.25Å; V17-A19 PolarHBondContact O-N 3.46Å; V17-S21 VanDerWaalsContact O-CB 3.22Å; V17-S21 WeakPolarHBondContact O-CB 3.42Å; V17-S21 PolarHBondContact O-N 3.11Å; V17-V24 WeakPolarHBondContact O-CG2 3.49Å; V17-W27 HydrophobicContact CG1-CZ2 3.89Å
18A90.6Very high90.8Very high0 Ų045.1 Ų45.10%024%0.241CC..Hα-helixtrans-58.9-37.3177.900000112.3L14 L15 W27 L92 L96 N99L14-A18 WeakPolarHBondContact O-CB 3.43Å; L14-A18 PolarHBondContact O-N 3.22Å; L15-A18 WeakPolarHBondContact O-CB 3.46Å; L15-A18 PolarHBondContact O-N 2.93Å; A18-W27 HydrophobicContact CB-CH2 4.01Å; A18-W27 HydrophobicContact CB-CZ3 4.45Å; A18-L92 HydrophobicContact CB-CD1 3.66Å; A18-L96 HydrophobicContact CB-CD2 3.84Å; A18-L96 HydrophobicContact CB-CG 4.08Å; A18-N99 WeakPolarHBondContact O-CB 3.45Å; A18-N99 PolarHBondContact O-ND2 3.35Å
19A87.1Confident90.7Very high18 Ų1849 Ų4915%0.14926%0.259CS..Hα-helixtrans-77.8-44.4-179.400000113.9L15 A16 V17 W95L15-A19 PolarHBondContact O-N 3.35Å; A16-A19 PolarHBondContact O-N 3.4Å; V17-A19 VanDerWaalsContact C-N 3.25Å; V17-A19 PolarHBondContact O-N 3.46Å; A19-W95 HydrophobicContact CB-CB 3.81Å; A19-W95 HydrophobicContact CB-CD2 4.02Å; A19-W95 HydrophobicContact CB-CE3 4.01Å; A19-W95 HydrophobicContact CB-CG 3.93Å
20H85Confident90.6Very high66 Ų6656.1 Ų56.131%0.30629%0.291SS..Hα-helixtrans-122.4-7.3-161.8-58.2-72.4000115.1A16 E76A16-H20 PolarHBondContact O-N 2.67Å; H20-E76 PolarHBondContact CE1-O 2.87Å
21S87.4Confident90.5Very high34 Ų3452.1 Ų52.124%0.23828%0.282CS..  trans-99.8139.2-175.1-172.30000112.9V17 V23 V24 N99V17-S21 VanDerWaalsContact O-CB 3.22Å; V17-S21 WeakPolarHBondContact O-CB 3.42Å; V17-S21 PolarHBondContact O-N 3.11Å; S21-V23 PolarHBondContact O-N 3.44Å; S21-V23 WeakPolarHBondContact OG-CB 3.5Å; S21-V23 WeakPolarHBondContact OG-CG2 3.34Å; S21-V23 PolarHBondContact OG-N 2.97Å; S21-V24 WeakPolarHBondContact O-CG2 3.32Å; S21-N99 PolarHBondContact O-ND2 3.29Å
22G87Confident90.5Very high53 Ų5352 Ų5255%0.54628%0.282SS..G310 helixtrans-70.3-13.1169.800000114V24 N25G22-V24 PolarHBondContact O-N 3.02Å; G22-V24 VanDerWaalsContact O-N 3.15Å; G22-N25 WeakPolarHBondContact O-CB 3.42Å; G22-N25 PolarHBondContact O-N 3.08Å; G22-N25 VanDerWaalsContact O-N 3.1Å
23V89.8Confident90.4Very high73 Ų7353.4 Ų53.444%0.44229%0.291SS..G310 helixtrans-62.9-19.1176.9178.80000111.8S21 N25 E26 W27S21-V23 PolarHBondContact O-N 3.44Å; S21-V23 WeakPolarHBondContact OG-CB 3.5Å; S21-V23 WeakPolarHBondContact OG-CG2 3.34Å; S21-V23 PolarHBondContact OG-N 2.97Å; V23-N25 PolarHBondContact O-N 3.42Å; V23-N25 VanDerWaalsContact O-N 3.13Å; V23-E26 PolarHBondContact O-N 3.12Å; V23-W27 VanDerWaalsContact O-CD1 3.27Å
24V91.4Very high90.3Very high0 Ų057.4 Ų57.40%030%0.302CS..G310 helixtrans-56.6-26.8173.3178.30000112.1V17 S21 G22 E26 W27 L96 N99 L102 P103V17-V24 WeakPolarHBondContact O-CG2 3.49Å; S21-V24 WeakPolarHBondContact O-CG2 3.32Å; G22-V24 PolarHBondContact O-N 3.02Å; G22-V24 VanDerWaalsContact O-N 3.15Å; V24-E26 PolarHBondContact O-N 3.36Å; V24-W27 HydrophobicContact CG1-CD2 4.49Å; V24-W27 HydrophobicContact CG2-CZ2 4.37Å; V24-W27 WeakPolarHBondContact O-CB 3.47Å; V24-W27 PolarHBondContact O-N 3.25Å; V24-L96 HydrophobicContact CG1-CD2 3.97Å; V24-N99 WeakPolarHBondContact CG2-ND2 3.35Å; V24-L102 HydrophobicContact CG1-CD1 3.98Å; V24-P103 VanDerWaalsContact O-CD 3.31Å; V24-P103 WeakPolarHBondContact O-CD 3.34Å
25N92.6Very high90.3Very high110 Ų11055.6 Ų55.659%0.58829%0.292SS*.G310 helixtrans-62.7-22.9175.8-172.946.3000113.5G22 V23 A101 P103G22-N25 WeakPolarHBondContact O-CB 3.42Å; G22-N25 PolarHBondContact O-N 3.08Å; G22-N25 VanDerWaalsContact O-N 3.1Å; V23-N25 PolarHBondContact O-N 3.42Å; V23-N25 VanDerWaalsContact O-N 3.13Å; N25-A101 VanDerWaalsContact CA-O 3.23Å; N25-A101 WeakPolarHBondContact CA-O 3.32Å; N25-A101 HydrophobicContact CB-CB 4.36Å; N25-A101 WeakPolarHBondContact CB-O 3.36Å; N25-A101 PolarHBondContact N-O 3.02Å; N25-P103 WeakPolarHBondContact O-CG 3.49Å
26E92.5Very high90.3Very high162 Ų16255.8 Ų55.876%0.75729%0.293SS*.G310 helixtrans-91.9-2.4178.4-59.2-178.2173.400112.7V23 V24 D28V23-E26 PolarHBondContact O-N 3.12Å; V24-E26 PolarHBondContact O-N 3.36Å; E26-D28 PolarHBondContact O-N 3.49Å
27W93.4Very high90.3Very high28 Ų2858.7 Ų58.711%0.10631%0.306CS..  trans-72.5129.9-178-7220.5000111L14 V17 A18 V23 V24 T31 V32 A35 L96L14-W27 HydrophobicContact CG-CH2 4.33Å; V17-W27 HydrophobicContact CG1-CZ2 3.89Å; A18-W27 HydrophobicContact CB-CH2 4.01Å; A18-W27 HydrophobicContact CB-CZ3 4.45Å; V23-W27 VanDerWaalsContact O-CD1 3.27Å; V24-W27 HydrophobicContact CG1-CD2 4.49Å; V24-W27 HydrophobicContact CG2-CZ2 4.37Å; V24-W27 WeakPolarHBondContact O-CB 3.47Å; V24-W27 PolarHBondContact O-N 3.25Å; W27-T31 HydrophobicContact CB-CG2 4.29Å; W27-T31 HydrophobicContact CD2-CG2 3.85Å; W27-T31 HydrophobicContact CE3-CG2 4.28Å; W27-T31 HydrophobicContact CG-CG2 3.85Å; W27-V32 HydrophobicContact CB-CG2 4.2Å; W27-V32 HydrophobicContact CE3-CG2 3.87Å; W27-A35 HydrophobicContact CH2-CB 4.42Å; W27-A35 HydrophobicContact CZ3-CB 4.05Å; W27-L96 HydrophobicContact CE3-CD2 4.08Å; W27-L96 HydrophobicContact CZ3-CD2 3.76Å
28D90.4Very high90.4Very high76 Ų7660.7 Ų60.741%0.40631%0.309SS..  trans-95.7172.1170.571.3-13.6000111.6E26 Q30 T31 V32E26-D28 PolarHBondContact O-N 3.49Å; D28-Q30 PolarHBondContact O-N 2.99Å; D28-T31 PolarHBondContact O-N 3.14Å; D28-T31 VanDerWaalsContact O-N 3.13Å; D28-T31 WeakPolarHBondContact OD1-CB 3.21Å; D28-T31 PolarHBondContact OD1-N 2.73Å; D28-T31 PolarHBondContact OD1-OG1 3.34Å; D28-V32 WeakPolarHBondContact O-CG2 3.39Å; D28-V32 PolarHBondContact O-N 3.44Å
29E88.9Confident90.5Very high80 Ų8060.7 Ų60.737%0.37431%0.309SS..Hα-helixtrans-56.9-36.1-178.7-175.9177.7160.200111.8T33 I106 M109 R128E29-T33 VanDerWaalsContact O-CB 3.31Å; E29-T33 WeakPolarHBondContact O-CB 3.23Å; E29-T33 PolarHBondContact O-N 2.9Å; E29-T33 PolarHBondContact O-OG1 3.32Å; E29-I106 HydrophobicContact CB-CD1 4.42Å; E29-M109 HydrophobicContact CG-CE 4.36Å; E29-M109 HydrophobicContact CG-CG 4.23Å; E29-R128 IonicContact OE1-CZ 2.7Å; E29-R128 IonicContact OE1-NH2 3.69Å; E29-R128 PolarHBondContact OE1-NH2 3.1Å; E29-R128 IonicContact OE2-NH2 3.42Å; E29-R128 PolarHBondContact OE2-NH2 3.31Å; E29-R128 VanDerWaalsContact OE2-NH2 3.14Å
30Q89.4Confident90.7Very high153 Ų15363.5 Ų63.572%0.71532%0.315SS*.Hα-helixtrans-69.3-41.2178.9-62.8-172.43.200112D28 T33 R34D28-Q30 PolarHBondContact O-N 2.99Å; Q30-T33 PolarHBondContact O-N 2.96Å; Q30-R34 WeakPolarHBondContact O-CB 3.48Å; Q30-R34 PolarHBondContact O-N 3.31Å
31T91.5Very high91.1Very high56 Ų5664 Ų6434%0.34432%0.315SS..Hα-helixtrans-63.1-46177-61.60000110.7W27 D28 R34 A35W27-T31 HydrophobicContact CB-CG2 4.29Å; W27-T31 HydrophobicContact CD2-CG2 3.85Å; W27-T31 HydrophobicContact CE3-CG2 4.28Å; W27-T31 HydrophobicContact CG-CG2 3.85Å; D28-T31 PolarHBondContact O-N 3.14Å; D28-T31 VanDerWaalsContact O-N 3.13Å; D28-T31 WeakPolarHBondContact OD1-CB 3.21Å; D28-T31 PolarHBondContact OD1-N 2.73Å; D28-T31 PolarHBondContact OD1-OG1 3.34Å; T31-R34 PolarHBondContact O-N 3.38Å; T31-A35 WeakPolarHBondContact O-CB 3.29Å; T31-A35 PolarHBondContact O-N 3.48Å
32V91.3Very high91.3Very high0 Ų062.3 Ų62.30%030%0.304CS..Hα-helixtrans-62.1-46.3176.2177.10000110.5W27 D28 R34 A35 F36 L96 I106 M109 V127W27-V32 HydrophobicContact CB-CG2 4.2Å; W27-V32 HydrophobicContact CE3-CG2 3.87Å; D28-V32 WeakPolarHBondContact O-CG2 3.39Å; D28-V32 PolarHBondContact O-N 3.44Å; V32-R34 VanDerWaalsContact C-N 3.32Å; V32-R34 PolarHBondContact O-N 2.88Å; V32-A35 VanDerWaalsContact O-CB 3.29Å; V32-A35 WeakPolarHBondContact O-CB 3.28Å; V32-A35 PolarHBondContact O-N 3.19Å; V32-A35 VanDerWaalsContact O-N 3.09Å; V32-F36 HydrophobicContact CG1-CD2 3.9Å; V32-F36 HydrophobicContact CG1-CE2 3.82Å; V32-F36 WeakPolarHBondContact O-CD2 3.18Å; V32-F36 PolarHBondContact O-N 3.03Å; V32-L96 HydrophobicContact CG1-CD1 4.41Å; V32-I106 HydrophobicContact CB-CG2 4.41Å; V32-I106 HydrophobicContact CG1-CG2 4.18Å; V32-I106 HydrophobicContact CG2-CD1 3.98Å; V32-I106 HydrophobicContact CG2-CG1 4.11Å; V32-I106 HydrophobicContact CG2-CG2 3.62Å; V32-M109 HydrophobicContact CB-CE 4.36Å; V32-M109 HydrophobicContact CG1-CE 3.91Å; V32-V127 HydrophobicContact CG1-CG1 4.3Å
33T90Very high91.5Very high30 Ų3061.6 Ų61.618%0.18429%0.286CS..Hα-helixtrans-59-43.9177.8-59.50000111.8E29 Q30 A35 F36 H37 V127E29-T33 VanDerWaalsContact O-CB 3.31Å; E29-T33 WeakPolarHBondContact O-CB 3.23Å; E29-T33 PolarHBondContact O-N 2.9Å; E29-T33 PolarHBondContact O-OG1 3.32Å; Q30-T33 PolarHBondContact O-N 2.96Å; T33-A35 VanDerWaalsContact C-N 3.35Å; T33-A35 PolarHBondContact O-N 3.13Å; T33-F36 PolarHBondContact O-N 3.48Å; T33-H37 VanDerWaalsContact O-CG 3.31Å; T33-H37 PolarHBondContact O-N 2.96Å; T33-V127 HydrophobicContact CG2-CG2 4.14Å
34R91.4Very high91.6Very high176 Ų17663 Ų6366%0.66429%0.287SS*.Hα-helixtrans-65.6-36.4175.6178.3172.8-97.8151.1-5.4112.2Q30 T31 V32 H37 W38Q30-R34 WeakPolarHBondContact O-CB 3.48Å; Q30-R34 PolarHBondContact O-N 3.31Å; T31-R34 PolarHBondContact O-N 3.38Å; V32-R34 VanDerWaalsContact C-N 3.32Å; V32-R34 PolarHBondContact O-N 2.88Å; R34-H37 WeakPolarHBondContact O-CB 3.47Å; R34-H37 PolarHBondContact O-N 3.28Å; R34-W38 PolarHBondContact O-N 3.3Å; R34-W38 VanDerWaalsContact O-N 3.08Å
35A92.9Very high91.6Very high1 Ų163.4 Ų63.41%0.00829%0.289CS..Hα-helixtrans-59.6-47.3174.200000111L14 W27 T31 V32 T33 H37 W38 A39 L92L14-A35 HydrophobicContact CD1-CB 3.95Å; L14-A35 HydrophobicContact CD2-CB 3.89Å; L14-A35 HydrophobicContact CG-CB 4.38Å; W27-A35 HydrophobicContact CH2-CB 4.42Å; W27-A35 HydrophobicContact CZ3-CB 4.05Å; T31-A35 WeakPolarHBondContact O-CB 3.29Å; T31-A35 PolarHBondContact O-N 3.48Å; V32-A35 VanDerWaalsContact O-CB 3.29Å; V32-A35 WeakPolarHBondContact O-CB 3.28Å; V32-A35 PolarHBondContact O-N 3.19Å; V32-A35 VanDerWaalsContact O-N 3.09Å; T33-A35 VanDerWaalsContact C-N 3.35Å; T33-A35 PolarHBondContact O-N 3.13Å; A35-H37 VanDerWaalsContact C-N 3.31Å; A35-H37 PolarHBondContact O-N 2.89Å; A35-W38 PolarHBondContact O-N 3.42Å; A35-W38 VanDerWaalsContact O-N 3.13Å; A35-A39 PolarHBondContact O-N 3.32Å; A35-L92 VanDerWaalsContact C-CD2 3.46Å; A35-L92 HydrophobicContact CB-CD2 3.83Å
36F92.1Very high91.5Very high5 Ų561 Ų612%0.02227%0.272CS..Hα-helixtrans-63.6-33.5175.1-83.8-82.9000113V32 T33 W38 A39 R40 Q89 L92 L93 L96 L110 V127 L130V32-F36 HydrophobicContact CG1-CD2 3.9Å; V32-F36 HydrophobicContact CG1-CE2 3.82Å; V32-F36 WeakPolarHBondContact O-CD2 3.18Å; V32-F36 PolarHBondContact O-N 3.03Å; T33-F36 PolarHBondContact O-N 3.48Å; F36-W38 PolarHBondContact O-N 2.72Å; F36-A39 PolarHBondContact O-N 2.89Å; F36-R40 WeakPolarHBondContact O-CB 3.44Å; F36-R40 PolarHBondContact O-N 2.98Å; F36-Q89 HydrophobicContact CD1-CB 4.3Å; F36-Q89 HydrophobicContact CD1-CG 4.4Å; F36-L92 HydrophobicContact CB-CD2 4.39Å; F36-L92 HydrophobicContact CD1-CD2 3.98Å; F36-L92 HydrophobicContact CD2-CD2 3.83Å; F36-L92 HydrophobicContact CE1-CB 4.46Å; F36-L92 HydrophobicContact CE1-CD2 4.14Å; F36-L92 HydrophobicContact CE1-CG 4.39Å; F36-L92 HydrophobicContact CE2-CD2 4.01Å; F36-L92 HydrophobicContact CE2-CG 4.31Å; F36-L92 HydrophobicContact CG-CD2 3.82Å; F36-L92 HydrophobicContact CZ-CD2 4.15Å; F36-L92 HydrophobicContact CZ-CG 4.18Å; F36-L93 HydrophobicContact CE1-CB 4.1Å; F36-L93 HydrophobicContact CZ-CB 3.95Å; F36-L93 HydrophobicContact CZ-CD1 4.05Å; F36-L96 HydrophobicContact CE2-CD1 3.92Å; F36-L96 HydrophobicContact CZ-CD1 4.33Å; F36-L110 HydrophobicContact CE2-CD2 4.2Å; F36-L110 HydrophobicContact CZ-CD2 4.47Å; F36-V127 HydrophobicContact CB-CG2 3.71Å; F36-V127 HydrophobicContact CD2-CG1 3.46Å; F36-V127 VanDerWaalsContact CD2-CG1 3.46Å; F36-V127 HydrophobicContact CD2-CG2 4.16Å; F36-V127 HydrophobicContact CE2-CG1 3.76Å; F36-V127 HydrophobicContact CG-CG1 4Å; F36-V127 HydrophobicContact CG-CG2 4.01Å; F36-L130 HydrophobicContact CD1-CD1 3.84Å; F36-L130 HydrophobicContact CE1-CD1 3.54Å; F36-L130 HydrophobicContact CE2-CD1 4.27Å; F36-L130 HydrophobicContact CG-CD1 4.34Å; F36-L130 HydrophobicContact CZ-CD1 3.78Å
37H90.9Very high91.3Very high60 Ų6056.7 Ų56.728%0.27826%0.261SS..Hα-helixtrans-64-39.2172.2-65161.1000112.9T33 R34 A35 R40 Y41 Y124T33-H37 VanDerWaalsContact O-CG 3.31Å; T33-H37 PolarHBondContact O-N 2.96Å; R34-H37 WeakPolarHBondContact O-CB 3.47Å; R34-H37 PolarHBondContact O-N 3.28Å; A35-H37 VanDerWaalsContact C-N 3.31Å; A35-H37 PolarHBondContact O-N 2.89Å; H37-R40 PolarHBondContact O-N 3.35Å; H37-Y41 WeakPolarHBondContact O-CB 3.5Å; H37-Y41 PolarHBondContact O-N 3.44Å; H37-Y124 AromaticContact CE1-CD1 3.45Å; H37-Y124 VanDerWaalsContact CE1-CD1 3.45Å; H37-Y124 WeakPolarHBondContact CE1-CD1 3.31Å; H37-Y124 AromaticContact NE2-CD1 3.61Å
38W93.4Very high91.2Very high93 Ų9364.6 Ų64.635%0.35229%0.291SS..Hα-helixtrans-67.9-38.8174.8-77116.2000112.2N7 T11 R34 A35 F36 Y41 C42N7-W38 HydrophobicContact CB-CZ3 3.95Å; T11-W38 HydrophobicContact CG2-CB 4.14Å; R34-W38 PolarHBondContact O-N 3.3Å; R34-W38 VanDerWaalsContact O-N 3.08Å; A35-W38 PolarHBondContact O-N 3.42Å; A35-W38 VanDerWaalsContact O-N 3.13Å; F36-W38 PolarHBondContact O-N 2.72Å; W38-Y41 HydrophobicContact CE3-CD1 4.04Å; W38-Y41 HydrophobicContact CE3-CG 4.5Å; W38-Y41 HydrophobicContact CZ3-CD1 4.15Å; W38-Y41 HydrophobicContact CZ3-CE1 4.36Å; W38-Y41 WeakPolarHBondContact O-CB 3.47Å; W38-Y41 PolarHBondContact O-N 3.26Å; W38-C42 PolarHBondContact O-N 3.42Å; W38-C42 VanDerWaalsContact O-N 3.12Å
39A92.9Very high91.1Very high0 Ų062.8 Ų62.80%028%0.279CS..Hα-helixtrans-60.8-47.217300000111.6A35 F36 Y41 C42 E43 C88 Q89 L92A35-A39 PolarHBondContact O-N 3.32Å; F36-A39 PolarHBondContact O-N 2.89Å; A39-Y41 VanDerWaalsContact C-N 3.31Å; A39-Y41 PolarHBondContact O-N 3.21Å; A39-C42 WeakPolarHBondContact O-CB 3.35Å; A39-C42 PolarHBondContact O-N 2.99Å; A39-C42 VanDerWaalsContact O-N 3.11Å; A39-E43 PolarHBondContact O-N 2.89Å; A39-E43 VanDerWaalsContact O-N 3.12Å; A39-C88 HydrophobicContact CB-CB 3.88Å; A39-C88 WeakPolarHBondContact O-CB 3.3Å; A39-Q89 HydrophobicContact CB-CB 4.47Å; A39-Q89 HydrophobicContact CB-CG 3.84Å; A39-L92 HydrophobicContact CB-CB 4.45Å; A39-L92 HydrophobicContact CB-CD2 4.07Å
40R90.8Very high90.8Very high77 Ų7763.6 Ų63.629%0.29128%0.283SS..Hα-helixtrans-58.8-41.7174.4-174.6172.9-174.1153.510.2112.2F36 H37 C42 E43 H44 Q89 E125F36-R40 WeakPolarHBondContact O-CB 3.44Å; F36-R40 PolarHBondContact O-N 2.98Å; H37-R40 PolarHBondContact O-N 3.35Å; R40-C42 VanDerWaalsContact C-N 3.28Å; R40-C42 PolarHBondContact O-N 2.87Å; R40-E43 WeakPolarHBondContact O-CB 3.08Å; R40-E43 PolarHBondContact O-N 3.36Å; R40-H44 VanDerWaalsContact CG-CE1 3.44Å; R40-H44 WeakPolarHBondContact CG-CE1 3.21Å; R40-H44 PolarHBondContact O-N 3.18Å; R40-H44 PolarHBondContact O-ND1 2.92Å; R40-Q89 HydrophobicContact CB-CG 4.36Å; R40-Q89 VanDerWaalsContact CB-NE2 3.27Å; R40-E125 IonicContact CZ-OE1 3.65Å; R40-E125 IonicContact CZ-OE2 3.37Å; R40-E125 IonicContact NH1-OE1 2.8Å; R40-E125 PolarHBondContact NH1-OE1 3.09Å; R40-E125 IonicContact NH1-OE2 3.48Å; R40-E125 PolarHBondContact NH1-OE2 3.44Å; R40-E125 IonicContact NH2-OE1 2.99Å; R40-E125 PolarHBondContact NH2-OE1 2.95Å; R40-E125 IonicContact NH2-OE2 3.43Å; R40-E125 PolarHBondContact NH2-OE2 3.43Å
41Y92.4Very high90.5Very high76 Ų7659.3 Ų59.330%0.29828%0.28SS..Hα-helixtrans-58.6-41.3176.5171-102.7000111.7N7 H37 W38 A39 H44 I45N7-Y41 HydrophobicContact CB-CE1 3.7Å; H37-Y41 WeakPolarHBondContact O-CB 3.5Å; H37-Y41 PolarHBondContact O-N 3.44Å; W38-Y41 HydrophobicContact CE3-CD1 4.04Å; W38-Y41 HydrophobicContact CE3-CG 4.5Å; W38-Y41 HydrophobicContact CZ3-CD1 4.15Å; W38-Y41 HydrophobicContact CZ3-CE1 4.36Å; W38-Y41 WeakPolarHBondContact O-CB 3.47Å; W38-Y41 PolarHBondContact O-N 3.26Å; A39-Y41 VanDerWaalsContact C-N 3.31Å; A39-Y41 PolarHBondContact O-N 3.21Å; Y41-H44 PolarHBondContact O-N 3.33Å; Y41-I45 HydrophobicContact CD1-CD1 3.77Å; Y41-I45 HydrophobicContact CE1-CD1 3.22Å; Y41-I45 HydrophobicContact CE1-CG1 4.21Å; Y41-I45 HydrophobicContact CE2-CD1 4.24Å; Y41-I45 HydrophobicContact CE2-CG1 4.44Å; Y41-I45 HydrophobicContact CG-CD1 4.49Å; Y41-I45 VanDerWaalsContact CZ-CD1 3.5Å; Y41-I45 WeakPolarHBondContact O-CG1 3.29Å; Y41-I45 PolarHBondContact O-N 3.17Å
42C92.6Very high90.4Very high0 Ų059.6 Ų59.60%028%0.279CS..Hα-helixtrans-64-38.6174.7-77.30000112.9T11 W38 A39 R40 H44 I45 Y46 L85 C88T11-C42 VanDerWaalsContact CB-SG 3.54Å; T11-C42 HydrophobicContact CG2-CB 4.49Å; T11-C42 VanDerWaalsContact CG2-SG 3.6Å; T11-C42 PolarHBondContact OG1-SG 3.43Å; W38-C42 PolarHBondContact O-N 3.42Å; W38-C42 VanDerWaalsContact O-N 3.12Å; A39-C42 WeakPolarHBondContact O-CB 3.35Å; A39-C42 PolarHBondContact O-N 2.99Å; A39-C42 VanDerWaalsContact O-N 3.11Å; R40-C42 VanDerWaalsContact C-N 3.28Å; R40-C42 PolarHBondContact O-N 2.87Å; C42-H44 VanDerWaalsContact C-N 3.31Å; C42-H44 PolarHBondContact O-N 3.34Å; C42-I45 WeakPolarHBondContact O-CB 3.42Å; C42-I45 PolarHBondContact O-N 3.49Å; C42-Y46 PolarHBondContact O-N 3.13Å; C42-L85 CarbonylContact C-O 3.4Å; C42-L85 HydrophobicContact CB-CD2 4.2Å; C42-C88 HydrophobicContact CB-CB 4.12Å
43E91.6Very high90.2Very high38 Ų3864.5 Ų64.518%0.17831%0.311CS..Hα-helixtrans-64.2-35.7173.9-66.6172.217500112.2A39 R40 Y46 S47 L85 C88 Q89A39-E43 PolarHBondContact O-N 2.89Å; A39-E43 VanDerWaalsContact O-N 3.12Å; R40-E43 WeakPolarHBondContact O-CB 3.08Å; R40-E43 PolarHBondContact O-N 3.36Å; E43-Y46 PolarHBondContact O-N 3.1Å; E43-S47 WeakPolarHBondContact O-CB 3.34Å; E43-S47 PolarHBondContact O-N 2.93Å; E43-S47 PolarHBondContact O-OG 3.04Å; E43-L85 VanDerWaalsContact CA-O 3.24Å; E43-L85 WeakPolarHBondContact CA-O 3.19Å; E43-L85 VanDerWaalsContact CG-O 3.3Å; E43-L85 WeakPolarHBondContact CG-O 3.26Å; E43-L85 PolarHBondContact N-O 2.82Å; E43-C88 HydrophobicContact CG-CB 4.16Å; E43-C88 PolarHBondContact OE1-N 2.95Å; E43-C88 VanDerWaalsContact OE1-N 3.15Å; E43-Q89 VanDerWaalsContact OE1-CB 3.3Å; E43-Q89 WeakPolarHBondContact OE1-CB 3.38Å; E43-Q89 WeakPolarHBondContact OE1-CG 3.31Å; E43-Q89 PolarHBondContact OE1-N 2.92Å; E43-Q89 PolarHBondContact OE2-NE2 3.34Å
44H91.7Very high90.2Very high102 Ų10268.3 Ų68.347%0.47233%0.334SS..Hα-helixtrans-68.5-35.7174.1-73.365.1000112.2R40 Y41 C42 S47 R48R40-H44 VanDerWaalsContact CG-CE1 3.44Å; R40-H44 WeakPolarHBondContact CG-CE1 3.21Å; R40-H44 PolarHBondContact O-N 3.18Å; R40-H44 PolarHBondContact O-ND1 2.92Å; Y41-H44 PolarHBondContact O-N 3.33Å; C42-H44 VanDerWaalsContact C-N 3.31Å; C42-H44 PolarHBondContact O-N 3.34Å; H44-S47 PolarHBondContact O-OG 2.9Å; H44-S47 VanDerWaalsContact O-OG 3.1Å; H44-R48 VanDerWaalsContact O-CB 3.24Å; H44-R48 WeakPolarHBondContact O-CB 3.45Å; H44-R48 PolarHBondContact O-N 3.4Å; H44-R48 VanDerWaalsContact O-N 3.1Å
45I90.6Very high90Very high8 Ų861.3 Ų61.34%0.04131%0.309CS..Hα-helixtrans-64-46.8172.3-70170.4000109.6V4 V8 Y41 C42 R48 F49 L59V4-I45 HydrophobicContact CG1-CD1 3.6Å; V4-I45 HydrophobicContact CG1-CG1 4.18Å; V4-I45 HydrophobicContact CG1-CG2 4.42Å; V8-I45 HydrophobicContact CG2-CD1 3.56Å; Y41-I45 HydrophobicContact CD1-CD1 3.77Å; Y41-I45 HydrophobicContact CE1-CD1 3.22Å; Y41-I45 HydrophobicContact CE1-CG1 4.21Å; Y41-I45 HydrophobicContact CE2-CD1 4.24Å; Y41-I45 HydrophobicContact CE2-CG1 4.44Å; Y41-I45 HydrophobicContact CG-CD1 4.49Å; Y41-I45 VanDerWaalsContact CZ-CD1 3.5Å; Y41-I45 WeakPolarHBondContact O-CG1 3.29Å; Y41-I45 PolarHBondContact O-N 3.17Å; C42-I45 WeakPolarHBondContact O-CB 3.42Å; C42-I45 PolarHBondContact O-N 3.49Å; I45-R48 PolarHBondContact O-N 3.41Å; I45-F49 HydrophobicContact CG2-CD2 3.91Å; I45-F49 WeakPolarHBondContact O-CB 3.27Å; I45-F49 VanDerWaalsContact O-CD2 3.3Å; I45-F49 WeakPolarHBondContact O-CD2 3.34Å; I45-F49 PolarHBondContact O-N 3.38Å; I45-L59 HydrophobicContact CG2-CD1 3.82Å; I45-L59 HydrophobicContact CG2-CD2 4.24Å
46Y90.4Very high89.9Confident59 Ų5965.5 Ų65.523%0.23133%0.325CS..Hα-helixtrans-59-54178.2178.1-95.3000111.1C42 E43 R48 F49 H50 F82 L83 L85 G86C42-Y46 PolarHBondContact O-N 3.13Å; E43-Y46 PolarHBondContact O-N 3.1Å; Y46-R48 PolarHBondContact O-N 2.97Å; Y46-F49 PolarHBondContact O-N 3.35Å; Y46-F49 VanDerWaalsContact O-N 3.15Å; Y46-H50 HydrophobicContact CD2-CB 4.34Å; Y46-H50 HydrophobicContact CE1-CB 4.25Å; Y46-H50 HydrophobicContact CE2-CB 4.04Å; Y46-H50 WeakPolarHBondContact O-CB 3.29Å; Y46-H50 PolarHBondContact O-N 2.55Å; Y46-H50 PolarHBondContact O-ND1 3.04Å; Y46-F82 AromaticContact CD2-CD1 3.97Å; Y46-F82 HydrophobicContact CD2-CD1 3.97Å; Y46-F82 AromaticContact CD2-CE1 3.53Å; Y46-F82 HydrophobicContact CD2-CE1 3.53Å; Y46-F82 AromaticContact CD2-CZ 3.89Å; Y46-F82 HydrophobicContact CD2-CZ 3.89Å; Y46-F82 VanDerWaalsContact CD2-O 3.23Å; Y46-F82 WeakPolarHBondContact CD2-O 3.49Å; Y46-F82 AromaticContact CE2-CD1 3.81Å; Y46-F82 HydrophobicContact CE2-CD1 3.81Å; Y46-F82 AromaticContact CE2-CE1 3.55Å; Y46-F82 HydrophobicContact CE2-CE1 3.55Å; Y46-F82 HydrophobicContact CE2-CZ 4.36Å; Y46-F82 WeakPolarHBondContact CE2-O 3.35Å; Y46-L83 HydrophobicContact CE2-CD2 4.27Å; Y46-L83 WeakPolarHBondContact OH-CD2 3.39Å; Y46-L85 HydrophobicContact CD2-CB 4.36Å; Y46-G86 VanDerWaalsContact CG-CA 3.49Å
47S89.5Confident89.8Confident73 Ų7366.4 Ų66.451%0.5134%0.335SS..Hα-helixtrans-58.2-35.5-179.468.40000112.4E43 H44 H50E43-S47 WeakPolarHBondContact O-CB 3.34Å; E43-S47 PolarHBondContact O-N 2.93Å; E43-S47 PolarHBondContact O-OG 3.04Å; H44-S47 PolarHBondContact O-OG 2.9Å; H44-S47 VanDerWaalsContact O-OG 3.1Å; S47-H50 PolarHBondContact O-CE1 3.18Å; S47-H50 PolarHBondContact O-ND1 2.88Å
48R90.3Very high89.9Confident194 Ų19466.1 Ų66.173%0.73234%0.338SS*.Hα-helixtrans-75.3-36178.2-173.2174.1-178.4175.13114.3H44 I45 Y46H44-R48 VanDerWaalsContact O-CB 3.24Å; H44-R48 WeakPolarHBondContact O-CB 3.45Å; H44-R48 PolarHBondContact O-N 3.4Å; H44-R48 VanDerWaalsContact O-N 3.1Å; I45-R48 PolarHBondContact O-N 3.41Å; Y46-R48 PolarHBondContact O-N 2.97Å
49F88.2Confident89.7Confident38 Ų3861.9 Ų61.917%0.16732%0.322CS..Hα-helixtrans-116.5-3.3-167.5-61.5-62.4000115.1I45 Y46 G51 N52 I55 L59I45-F49 HydrophobicContact CG2-CD2 3.91Å; I45-F49 WeakPolarHBondContact O-CB 3.27Å; I45-F49 VanDerWaalsContact O-CD2 3.3Å; I45-F49 WeakPolarHBondContact O-CD2 3.34Å; I45-F49 PolarHBondContact O-N 3.38Å; Y46-F49 PolarHBondContact O-N 3.35Å; Y46-F49 VanDerWaalsContact O-N 3.15Å; F49-G51 PolarHBondContact O-N 3.33Å; F49-N52 PolarHBondContact O-N 3.4Å; F49-I55 HydrophobicContact CB-CB 4.49Å; F49-I55 HydrophobicContact CB-CG2 4.01Å; F49-I55 HydrophobicContact CD1-CB 4.13Å; F49-I55 HydrophobicContact CD1-CD1 3.58Å; F49-I55 HydrophobicContact CD1-CG1 4.45Å; F49-I55 HydrophobicContact CD1-CG2 3.73Å; F49-I55 HydrophobicContact CD2-CG2 4.25Å; F49-I55 HydrophobicContact CE1-CD1 3.54Å; F49-I55 HydrophobicContact CE1-CG2 4.22Å; F49-I55 HydrophobicContact CG-CB 4.45Å; F49-I55 HydrophobicContact CG-CG2 3.73Å; F49-L59 HydrophobicContact CB-CD1 4.28Å
50H83.9Confident89.7Confident97 Ų9764.7 Ų64.745%0.44934%0.335SS..THydrogen-bonded Turntrans-56.4-35.6179.870.5-75.9000113.4Y46 S47 F82Y46-H50 HydrophobicContact CD2-CB 4.34Å; Y46-H50 HydrophobicContact CE1-CB 4.25Å; Y46-H50 HydrophobicContact CE2-CB 4.04Å; Y46-H50 WeakPolarHBondContact O-CB 3.29Å; Y46-H50 PolarHBondContact O-N 2.55Å; Y46-H50 PolarHBondContact O-ND1 3.04Å; S47-H50 PolarHBondContact O-CE1 3.18Å; S47-H50 PolarHBondContact O-ND1 2.88Å; H50-F82 HydrophobicContact CB-CE1 4.22Å
51G81.6Confident89.7Confident63 Ų6367.8 Ų67.865%0.64935%0.35SS*.THydrogen-bonded Turntrans-84.4-4.2177.500000115.3F49 P53F49-G51 PolarHBondContact O-N 3.33Å; G51-P53 WeakPolarHBondContact O-CD 3.32Å
52N89.9Confident89.8Confident62 Ų6266.7 Ų66.733%0.33235%0.348SS..  trans-104.3103.6-179.8-173.2-44.2000110.5F49 V54 I55 R56F49-N52 PolarHBondContact O-N 3.4Å; N52-V54 VanDerWaalsContact C-N 3.29Å; N52-V54 PolarHBondContact O-N 2.87Å; N52-V54 PolarHBondContact OD1-N 3.46Å; N52-I55 HydrophobicContact CB-CB 4.45Å; N52-I55 PolarHBondContact O-N 2.93Å; N52-I55 PolarHBondContact OD1-N 2.64Å; N52-R56 WeakPolarHBondContact O-CB 3.28Å; N52-R56 PolarHBondContact O-N 3.48Å
53P86.9Confident89.8Confident103 Ų10366.9 Ų66.967%0.66935%0.349SS*.Hα-helixtrans-65.5-29.8-171.725.5-34.3000113.4G51 G57G51-P53 WeakPolarHBondContact O-CD 3.32Å; P53-G57 PolarHBondContact O-N 3.37Å
54V90Very high89.8Confident110 Ų11071.3 Ų71.367%0.66737%0.37SS*.Hα-helixtrans-71-49.6-178.91800000110.4N52 G57 V58N52-V54 VanDerWaalsContact C-N 3.29Å; N52-V54 PolarHBondContact O-N 2.87Å; N52-V54 PolarHBondContact OD1-N 3.46Å; V54-G57 PolarHBondContact O-N 3.36Å; V54-V58 WeakPolarHBondContact O-CG2 3.49Å; V54-V58 PolarHBondContact O-N 3.08Å
55I88.1Confident89.9Confident28 Ų2872 Ų7214%0.14438%0.376CS..Hα-helixtrans-71.2-39.4-179-60177.7000110.4M1 F49 N52 G57 V58 L59M1-I55 HydrophobicContact CE-CD1 3.85Å; M1-I55 HydrophobicContact CE-CG1 3.84Å; M1-I55 HydrophobicContact CE-CG2 4.11Å; F49-I55 HydrophobicContact CB-CB 4.49Å; F49-I55 HydrophobicContact CB-CG2 4.01Å; F49-I55 HydrophobicContact CD1-CB 4.13Å; F49-I55 HydrophobicContact CD1-CD1 3.58Å; F49-I55 HydrophobicContact CD1-CG1 4.45Å; F49-I55 HydrophobicContact CD1-CG2 3.73Å; F49-I55 HydrophobicContact CD2-CG2 4.25Å; F49-I55 HydrophobicContact CE1-CD1 3.54Å; F49-I55 HydrophobicContact CE1-CG2 4.22Å; F49-I55 HydrophobicContact CG-CB 4.45Å; F49-I55 HydrophobicContact CG-CG2 3.73Å; N52-I55 HydrophobicContact CB-CB 4.45Å; N52-I55 PolarHBondContact O-N 2.93Å; N52-I55 PolarHBondContact OD1-N 2.64Å; I55-G57 PolarHBondContact O-N 2.9Å; I55-V58 PolarHBondContact O-N 2.83Å; I55-L59 HydrophobicContact CG2-CD1 3.94Å; I55-L59 WeakPolarHBondContact O-CG 3.43Å; I55-L59 PolarHBondContact O-N 3.41Å
56R90.4Very high90Very high90 Ų9072 Ų7234%0.3438%0.377SS..Hα-helixtrans-55.3-49.6172.7175.6177170.6173.3-0.5111.7N52 V58 L59 E60 F82N52-R56 WeakPolarHBondContact O-CB 3.28Å; N52-R56 PolarHBondContact O-N 3.48Å; R56-V58 VanDerWaalsContact C-N 3.25Å; R56-V58 PolarHBondContact O-N 3.19Å; R56-L59 PolarHBondContact O-N 3.12Å; R56-L59 VanDerWaalsContact O-N 3.1Å; R56-E60 HydrophobicContact CG-CG 4.34Å; R56-E60 IonicContact CZ-OE1 3.14Å; R56-E60 IonicContact NE-OE1 3.76Å; R56-E60 PolarHBondContact NE-OE1 3.17Å; R56-E60 IonicContact NH2-OE1 2.67Å; R56-E60 PolarHBondContact NH2-OE1 3.06Å; R56-E60 VanDerWaalsContact NH2-OE1 3.1Å; R56-E60 WeakPolarHBondContact O-CG 3.39Å; R56-E60 PolarHBondContact O-N 2.87Å; R56-F82 HydrophobicContact CB-CZ 4.29Å; R56-F82 HydrophobicContact CG-CD1 3.95Å; R56-F82 HydrophobicContact CG-CD2 4.41Å; R56-F82 HydrophobicContact CG-CE1 3.8Å; R56-F82 HydrophobicContact CG-CE2 4.26Å; R56-F82 HydrophobicContact CG-CG 4.27Å; R56-F82 HydrophobicContact CG-CZ 3.96Å
57G88.8Confident90.1Very high23 Ų2370.2 Ų70.224%0.23737%0.371CS..Hα-helixtrans-62-31.8179.700000113.5P53 V54 I55 K61P53-G57 PolarHBondContact O-N 3.37Å; V54-G57 PolarHBondContact O-N 3.36Å; I55-G57 PolarHBondContact O-N 2.9Å; G57-K61 VanDerWaalsContact O-CG 3.32Å; G57-K61 WeakPolarHBondContact O-CG 3.42Å; G57-K61 PolarHBondContact O-N 3.2Å; G57-K61 VanDerWaalsContact O-N 3.16Å
58V93.1Very high90.2Very high55 Ų5572.6 Ų72.633%0.33337%0.374SS..Hα-helixtrans-71.7-40.9174178.90000111.3L5 V54 I55 R56 K61 Q62L5-V58 HydrophobicContact CD1-CG1 3.7Å; L5-V58 HydrophobicContact CD2-CG1 3.83Å; L5-V58 HydrophobicContact CG-CG1 4.37Å; V54-V58 WeakPolarHBondContact O-CG2 3.49Å; V54-V58 PolarHBondContact O-N 3.08Å; I55-V58 PolarHBondContact O-N 2.83Å; R56-V58 VanDerWaalsContact C-N 3.25Å; R56-V58 PolarHBondContact O-N 3.19Å; V58-K61 PolarHBondContact O-N 3.18Å; V58-Q62 PolarHBondContact O-N 3.36Å; V58-Q62 VanDerWaalsContact O-N 3.14Å
59L90.4Very high90.2Very high3 Ų366.8 Ų66.82%0.01636%0.363CS..Hα-helixtrans-64.8-44175.7-72.6162.5000111.6V4 L5 V8 I45 F49 I55 R56 K61 Q62 L63 F82V4-L59 HydrophobicContact CG1-CD2 4.42Å; L5-L59 HydrophobicContact CD2-CD2 3.71Å; L5-L59 HydrophobicContact CD2-CG 4.21Å; V8-L59 HydrophobicContact CG2-CD2 4.04Å; I45-L59 HydrophobicContact CG2-CD1 3.82Å; I45-L59 HydrophobicContact CG2-CD2 4.24Å; F49-L59 HydrophobicContact CB-CD1 4.28Å; I55-L59 HydrophobicContact CG2-CD1 3.94Å; I55-L59 WeakPolarHBondContact O-CG 3.43Å; I55-L59 PolarHBondContact O-N 3.41Å; R56-L59 PolarHBondContact O-N 3.12Å; R56-L59 VanDerWaalsContact O-N 3.1Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 2.97Å; L59-Q62 PolarHBondContact O-N 2.94Å; L59-Q62 VanDerWaalsContact O-N 3.16Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 2.94Å; L59-F82 HydrophobicContact CB-CD2 4.05Å; L59-F82 HydrophobicContact CB-CE2 3.89Å; L59-F82 HydrophobicContact CD1-CE2 3.8Å; L59-F82 HydrophobicContact CG-CE2 4.47Å
60E91.7Very high90.3Very high60 Ų6065.9 Ų65.928%0.2836%0.36SS..Hα-helixtrans-59-42.5175.8-78.7172.6171.800111.9R56 Q62 L63 Q64 F82R56-E60 HydrophobicContact CG-CG 4.34Å; R56-E60 IonicContact CZ-OE1 3.14Å; R56-E60 IonicContact NE-OE1 3.76Å; R56-E60 PolarHBondContact NE-OE1 3.17Å; R56-E60 IonicContact NH2-OE1 2.67Å; R56-E60 PolarHBondContact NH2-OE1 3.06Å; R56-E60 VanDerWaalsContact NH2-OE1 3.1Å; R56-E60 WeakPolarHBondContact O-CG 3.39Å; R56-E60 PolarHBondContact O-N 2.87Å; E60-Q62 PolarHBondContact O-N 3.27Å; E60-L63 PolarHBondContact O-N 3.48Å; E60-Q64 VanDerWaalsContact O-CG 3.32Å; E60-Q64 WeakPolarHBondContact O-CG 3.4Å; E60-Q64 PolarHBondContact O-N 3.4Å; E60-F82 HydrophobicContact CG-CB 3.62Å; E60-F82 HydrophobicContact CG-CD2 4.26Å; E60-F82 HydrophobicContact CG-CG 4.04Å
61K92.4Very high90.6Very high141 Ų14167.6 Ų67.661%0.61337%0.366SS*.Hα-helixtrans-61.3-43174.1-76.2176.9-179.2-175.70112.3G57 V58 L59 L63 Q64 L65G57-K61 VanDerWaalsContact O-CG 3.32Å; G57-K61 WeakPolarHBondContact O-CG 3.42Å; G57-K61 PolarHBondContact O-N 3.2Å; G57-K61 VanDerWaalsContact O-N 3.16Å; V58-K61 PolarHBondContact O-N 3.18Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 2.97Å; K61-L63 VanDerWaalsContact C-N 3.34Å; K61-Q64 PolarHBondContact O-N 3.33Å; K61-L65 WeakPolarHBondContact O-CG 3.43Å; K61-L65 PolarHBondContact O-N 3.25Å
62Q93.5Very high90.9Very high54 Ų5471.4 Ų71.425%0.25237%0.367SS..Hα-helixtrans-64-40.7176.7-178.861.537.900111.9L5 V58 L59 E60 L65 T66L5-Q62 HydrophobicContact CB-CB 4.42Å; L5-Q62 HydrophobicContact CB-CG 4.02Å; L5-Q62 HydrophobicContact CD2-CB 3.89Å; L5-Q62 HydrophobicContact CD2-CG 4.36Å; L5-Q62 WeakPolarHBondContact O-CG 3.26Å; V58-Q62 PolarHBondContact O-N 3.36Å; V58-Q62 VanDerWaalsContact O-N 3.14Å; L59-Q62 PolarHBondContact O-N 2.94Å; L59-Q62 VanDerWaalsContact O-N 3.16Å; E60-Q62 PolarHBondContact O-N 3.27Å; Q62-L65 PolarHBondContact O-N 3.23Å; Q62-T66 PolarHBondContact NE2-OG1 3.29Å; Q62-T66 WeakPolarHBondContact O-CB 3.5Å; Q62-T66 PolarHBondContact O-N 3.45Å; Q62-T66 PolarHBondContact O-OG1 2.94Å
63L92.6Very high90.6Very high4 Ų472 Ų722%0.02138%0.38CS..Hα-helixtrans-61.5-45174.9-70.7174.2000111.2V8 V12 L59 E60 K61 L65 T66 N67 F82 L85V8-L63 HydrophobicContact CG1-CD2 3.68Å; V8-L63 HydrophobicContact CG1-CG 4.35Å; V12-L63 HydrophobicContact CG2-CD2 3.59Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 2.94Å; E60-L63 PolarHBondContact O-N 3.48Å; K61-L63 VanDerWaalsContact C-N 3.34Å; L63-L65 PolarHBondContact O-N 2.9Å; L63-T66 PolarHBondContact O-N 3.04Å; L63-N67 VanDerWaalsContact O-CB 3.27Å; L63-N67 WeakPolarHBondContact O-CB 3.45Å; L63-N67 PolarHBondContact O-N 2.8Å; L63-N67 PolarHBondContact O-ND2 3.44Å; L63-F82 HydrophobicContact CD1-CB 4.07Å; L63-F82 HydrophobicContact CD1-CD2 4.37Å; L63-L85 HydrophobicContact CD1-CD1 3.99Å; L63-L85 HydrophobicContact CD1-CG 4.23Å; L63-L85 HydrophobicContact CD2-CD2 4.27Å
64Q92.6Very high90.5Very high130 Ų13069.8 Ų69.861%0.60736%0.363SS*.Hα-helixtrans-58.2-46.2176.8-74.5172.8-9.300112.2E60 K61 N67 H68E60-Q64 VanDerWaalsContact O-CG 3.32Å; E60-Q64 WeakPolarHBondContact O-CG 3.4Å; E60-Q64 PolarHBondContact O-N 3.4Å; K61-Q64 PolarHBondContact O-N 3.33Å; Q64-N67 PolarHBondContact O-N 3.06Å; Q64-H68 WeakPolarHBondContact O-CB 3.29Å; Q64-H68 PolarHBondContact O-N 3.04Å
65L93.5Very high89.9Confident116 Ų11669.8 Ų69.861%0.60737%0.365SS*.Hα-helixtrans-61.4-45177-69.2172.7000111.8K61 Q62 L63 H68 S69K61-L65 WeakPolarHBondContact O-CG 3.43Å; K61-L65 PolarHBondContact O-N 3.25Å; Q62-L65 PolarHBondContact O-N 3.23Å; L63-L65 PolarHBondContact O-N 2.9Å; L65-H68 PolarHBondContact O-N 3.44Å; L65-S69 PolarHBondContact O-N 3.36Å; L65-S69 VanDerWaalsContact O-N 3.15Å
66T92.6Very high89.4Confident9 Ų976 Ų766%0.05539%0.393CS..Hα-helixtrans-66.5-45.1-179.7-47.70000110.8V12 E13 Q62 L63 H68 S69 L70V12-T66 HydrophobicContact CB-CG2 4.28Å; V12-T66 HydrophobicContact CG1-CG2 4.17Å; E13-T66 HydrophobicContact CG-CG2 4.18Å; Q62-T66 PolarHBondContact NE2-OG1 3.29Å; Q62-T66 WeakPolarHBondContact O-CB 3.5Å; Q62-T66 PolarHBondContact O-N 3.45Å; Q62-T66 PolarHBondContact O-OG1 2.94Å; L63-T66 PolarHBondContact O-N 3.04Å; T66-H68 VanDerWaalsContact C-N 3.32Å; T66-H68 PolarHBondContact O-N 2.96Å; T66-S69 PolarHBondContact O-N 3.36Å; T66-L70 HydrophobicContact CG2-CD1 3.97Å; T66-L70 HydrophobicContact CG2-CG 4.44Å; T66-L70 WeakPolarHBondContact O-CB 3.48Å; T66-L70 WeakPolarHBondContact O-CG 3.38Å; T66-L70 PolarHBondContact O-N 3.29Å
67N91.6Very high89Confident21 Ų2172.2 Ų72.211%0.11238%0.379CS..Hα-helixtrans-61.6-39.1177.4-74.8-26.5000112.3L63 Q64 L70 K71 Y77 A79 V80L63-N67 VanDerWaalsContact O-CB 3.27Å; L63-N67 WeakPolarHBondContact O-CB 3.45Å; L63-N67 PolarHBondContact O-N 2.8Å; L63-N67 PolarHBondContact O-ND2 3.44Å; Q64-N67 PolarHBondContact O-N 3.06Å; N67-L70 PolarHBondContact O-N 3.3Å; N67-K71 VanDerWaalsContact O-CB 3.29Å; N67-K71 WeakPolarHBondContact O-CB 3.46Å; N67-K71 PolarHBondContact O-N 3.47Å; N67-Y77 HydrophobicContact CB-CE1 4.21Å; N67-Y77 WeakPolarHBondContact OD1-CE1 3.34Å; N67-Y77 PolarHBondContact OD1-OH 3.29Å; N67-A79 HydrophobicContact CB-CB 4.19Å; N67-V80 PolarHBondContact ND2-N 3.03Å; N67-V80 PolarHBondContact ND2-O 3.19Å; N67-V80 PolarHBondContact OD1-N 3.08Å
68H91.8Very high88.7Confident124 Ų12476.2 Ų76.257%0.57440%0.395SS*.Hα-helixtrans-62.9-49.4176.8-171.761.5000110.9Q64 L65 T66 L70 K71 E72Q64-H68 WeakPolarHBondContact O-CB 3.29Å; Q64-H68 PolarHBondContact O-N 3.04Å; L65-H68 PolarHBondContact O-N 3.44Å; T66-H68 VanDerWaalsContact C-N 3.32Å; T66-H68 PolarHBondContact O-N 2.96Å; H68-L70 VanDerWaalsContact C-N 3.34Å; H68-L70 PolarHBondContact O-N 2.9Å; H68-K71 PolarHBondContact O-N 3.44Å; H68-E72 IonicContact NE2-OE1 3.71Å; H68-E72 PolarHBondContact O-N 2.93Å; H68-E72 VanDerWaalsContact O-N 3.12Å
69S91.7Very high88.4Confident71 Ų7176.9 Ų76.950%0.49741%0.407SS..Hα-helixtrans-61.8-39.9177.1-178.70000112.7L65 T66 E72 A73L65-S69 PolarHBondContact O-N 3.36Å; L65-S69 VanDerWaalsContact O-N 3.15Å; T66-S69 PolarHBondContact O-N 3.36Å; S69-E72 PolarHBondContact O-N 2.78Å; S69-A73 PolarHBondContact O-N 3.43Å
70L89.9Confident88.3Confident19 Ų1976.9 Ų76.910%0.09941%0.406CS..Hα-helixtrans-67.9-37.5177.2-74.7171.4000112.3V12 E13 A16 T66 N67 H68 E72 A73 L74 Y77V12-L70 HydrophobicContact CG1-CD1 3.79Å; E13-L70 HydrophobicContact CG-CD1 4.45Å; E13-L70 HydrophobicContact CG-CD2 4.19Å; A16-L70 HydrophobicContact CB-CD1 4.04Å; A16-L70 HydrophobicContact CB-CD2 4.04Å; T66-L70 HydrophobicContact CG2-CD1 3.97Å; T66-L70 HydrophobicContact CG2-CG 4.44Å; T66-L70 WeakPolarHBondContact O-CB 3.48Å; T66-L70 WeakPolarHBondContact O-CG 3.38Å; T66-L70 PolarHBondContact O-N 3.29Å; N67-L70 PolarHBondContact O-N 3.3Å; H68-L70 VanDerWaalsContact C-N 3.34Å; H68-L70 PolarHBondContact O-N 2.9Å; L70-E72 VanDerWaalsContact C-N 3.31Å; L70-E72 PolarHBondContact O-N 3.37Å; L70-A73 PolarHBondContact O-N 3.2Å; L70-L74 WeakPolarHBondContact O-CA 3.49Å; L70-L74 WeakPolarHBondContact O-CB 3.25Å; L70-L74 PolarHBondContact O-N 3.26Å; L70-Y77 HydrophobicContact CB-CD1 3.75Å; L70-Y77 HydrophobicContact CB-CE1 3.75Å; L70-Y77 HydrophobicContact CB-CG 4.19Å; L70-Y77 HydrophobicContact CD1-CE1 4.06Å; L70-Y77 HydrophobicContact CD1-CE2 4.09Å
71K88.8Confident88.2Confident134 Ų13476.4 Ų76.458%0.58341%0.41SS*.Hα-helixtrans-68-31.2177.5-168.1168.3-173.8169.90112.7N67 H68 L74N67-K71 VanDerWaalsContact O-CB 3.29Å; N67-K71 WeakPolarHBondContact O-CB 3.46Å; N67-K71 PolarHBondContact O-N 3.47Å; H68-K71 PolarHBondContact O-N 3.44Å; K71-L74 CarbonylContact O-C 3.46Å
72E87.9Confident87.9Confident142 Ų14270 Ų7066%0.66438%0.382SS*.Hα-helixtrans-67.2-38.5171.3-70.2-178.2157.100111.9H68 S69 L70H68-E72 IonicContact NE2-OE1 3.71Å; H68-E72 PolarHBondContact O-N 2.93Å; H68-E72 VanDerWaalsContact O-N 3.12Å; S69-E72 PolarHBondContact O-N 2.78Å; L70-E72 VanDerWaalsContact C-N 3.31Å; L70-E72 PolarHBondContact O-N 3.37Å
73A85.5Confident87.6Confident75 Ų7571.8 Ų71.862%0.6239%0.393SS*.Hα-helixtrans-81.7-32.5-179.700000113.6S69 L70S69-A73 PolarHBondContact O-N 3.43Å; L70-A73 PolarHBondContact O-N 3.2Å
74L83.6Confident87.3Confident56 Ų5674 Ų7429%0.29341%0.405SS..  trans-134.994-173.1-63.1170.2000108.9A16 L70 K71 E76 Y77A16-L74 HydrophobicContact CB-CD1 4.2Å; L70-L74 WeakPolarHBondContact O-CA 3.49Å; L70-L74 WeakPolarHBondContact O-CB 3.25Å; L70-L74 PolarHBondContact O-N 3.26Å; K71-L74 CarbonylContact O-C 3.46Å; L74-E76 PolarHBondContact O-N 3.09Å; L74-Y77 WeakPolarHBondContact O-CB 3.44Å; L74-Y77 PolarHBondContact O-N 2.76Å
75P77.4Confident87.2Confident111 Ų11167.9 Ų67.972%0.72138%0.376SS*.THydrogen-bonded Turntrans-60.4-28.4-176.7-27.135.8000114.6Y77P75-Y77 VanDerWaalsContact C-N 3.28Å; P75-Y77 PolarHBondContact O-N 3.49Å
76E78.8Confident86.8Confident158 Ų15863.4 Ų63.474%0.73836%0.358SS*.THydrogen-bonded Turntrans-83.81.6179.7-61.4-178.5177.300113.5H20 L74H20-E76 PolarHBondContact CE1-O 2.87Å; L74-E76 PolarHBondContact O-N 3.09Å
77Y81.3Confident86.7Confident10 Ų1069.8 Ų69.84%0.03938%0.381CS..PPolyproline II helixtrans-69.8128.7-178.1171.3-108.8000112.9V12 A16 N67 L70 L74 P75 A79 V80V12-Y77 WeakPolarHBondContact CG1-OH 3.4Å; A16-Y77 HydrophobicContact CB-CD2 3.67Å; A16-Y77 HydrophobicContact CB-CE2 3.61Å; N67-Y77 HydrophobicContact CB-CE1 4.21Å; N67-Y77 WeakPolarHBondContact OD1-CE1 3.34Å; N67-Y77 PolarHBondContact OD1-OH 3.29Å; L70-Y77 HydrophobicContact CB-CD1 3.75Å; L70-Y77 HydrophobicContact CB-CE1 3.75Å; L70-Y77 HydrophobicContact CB-CG 4.19Å; L70-Y77 HydrophobicContact CD1-CE1 4.06Å; L70-Y77 HydrophobicContact CD1-CE2 4.09Å; L74-Y77 WeakPolarHBondContact O-CB 3.44Å; L74-Y77 PolarHBondContact O-N 2.76Å; P75-Y77 VanDerWaalsContact C-N 3.28Å; P75-Y77 PolarHBondContact O-N 3.49Å; Y77-A79 HydrophobicContact CE1-CB 4.47Å; Y77-V80 WeakPolarHBondContact OH-CG2 3.47Å; Y77-V80 PolarHBondContact OH-N 3.4Å
78N81.3Confident86.6Confident108 Ų10868.8 Ų68.858%0.57838%0.376SS*.PPolyproline II helixtrans-87.2122.1171.2-68.3-41.7000110.8V80N78-V80 PolarHBondContact O-N 3.33Å
79A86.8Confident86.5Confident69 Ų6964.9 Ų64.957%0.5736%0.358SS*.PPolyproline II helixtrans-66129.8-175.900000112.4N67 Y77N67-A79 HydrophobicContact CB-CB 4.19Å; Y77-A79 HydrophobicContact CE1-CB 4.47Å
80V88.9Confident86.3Confident2 Ų265.2 Ų65.21%0.01235%0.354CS..PPolyproline II helixtrans-82.9123.1177.3176.10000110.5V12 L15 N67 Y77 N78 D84 L85 W95V12-V80 HydrophobicContact CG1-CB 4.15Å; V12-V80 HydrophobicContact CG1-CG2 4.11Å; V12-V80 HydrophobicContact CG2-CB 4.39Å; V12-V80 HydrophobicContact CG2-CG1 4.2Å; L15-V80 HydrophobicContact CD1-CG2 4.43Å; N67-V80 PolarHBondContact ND2-N 3.03Å; N67-V80 PolarHBondContact ND2-O 3.19Å; N67-V80 PolarHBondContact OD1-N 3.08Å; Y77-V80 WeakPolarHBondContact OH-CG2 3.47Å; Y77-V80 PolarHBondContact OH-N 3.4Å; N78-V80 PolarHBondContact O-N 3.33Å; V80-D84 HydrophobicContact CG1-CB 3.79Å; V80-L85 HydrophobicContact CG1-CD2 4.39Å; V80-W95 HydrophobicContact CG2-CH2 3.59Å; V80-W95 HydrophobicContact CG2-CZ3 4.07Å
81S89Confident86.3Confident50 Ų5065.8 Ų65.835%0.3536%0.357SS..PPolyproline II helixtrans-85.8172.117578.70000112.4L83 D84S81-L83 VanDerWaalsContact C-N 3.29Å; S81-L83 PolarHBondContact O-N 3.48Å; S81-L83 PolarHBondContact OG-N 3.17Å; S81-D84 WeakPolarHBondContact CA-OD2 3.33Å; S81-D84 WeakPolarHBondContact CB-OD2 3.47Å; S81-D84 PolarHBondContact N-OD2 3.18Å; S81-D84 WeakPolarHBondContact O-CB 3.32Å; S81-D84 PolarHBondContact O-N 2.85Å; S81-D84 PolarHBondContact OG-N 2.8Å; S81-D84 PolarHBondContact OG-OD2 3.29Å
82F86.8Confident86.5Confident8 Ų859.4 Ų59.44%0.03533%0.329CS..THydrogen-bonded Turntrans-66.7-31.1174.2-178.3-96.6000112.8Y46 H50 R56 L59 E60 L63 D84 L85Y46-F82 AromaticContact CD2-CD1 3.97Å; Y46-F82 HydrophobicContact CD2-CD1 3.97Å; Y46-F82 AromaticContact CD2-CE1 3.53Å; Y46-F82 HydrophobicContact CD2-CE1 3.53Å; Y46-F82 AromaticContact CD2-CZ 3.89Å; Y46-F82 HydrophobicContact CD2-CZ 3.89Å; Y46-F82 VanDerWaalsContact CD2-O 3.23Å; Y46-F82 WeakPolarHBondContact CD2-O 3.49Å; Y46-F82 AromaticContact CE2-CD1 3.81Å; Y46-F82 HydrophobicContact CE2-CD1 3.81Å; Y46-F82 AromaticContact CE2-CE1 3.55Å; Y46-F82 HydrophobicContact CE2-CE1 3.55Å; Y46-F82 HydrophobicContact CE2-CZ 4.36Å; Y46-F82 WeakPolarHBondContact CE2-O 3.35Å; H50-F82 HydrophobicContact CB-CE1 4.22Å; R56-F82 HydrophobicContact CB-CZ 4.29Å; R56-F82 HydrophobicContact CG-CD1 3.95Å; R56-F82 HydrophobicContact CG-CD2 4.41Å; R56-F82 HydrophobicContact CG-CE1 3.8Å; R56-F82 HydrophobicContact CG-CE2 4.26Å; R56-F82 HydrophobicContact CG-CG 4.27Å; R56-F82 HydrophobicContact CG-CZ 3.96Å; L59-F82 HydrophobicContact CB-CD2 4.05Å; L59-F82 HydrophobicContact CB-CE2 3.89Å; L59-F82 HydrophobicContact CD1-CE2 3.8Å; L59-F82 HydrophobicContact CG-CE2 4.47Å; E60-F82 HydrophobicContact CG-CB 3.62Å; E60-F82 HydrophobicContact CG-CD2 4.26Å; E60-F82 HydrophobicContact CG-CG 4.04Å; L63-F82 HydrophobicContact CD1-CB 4.07Å; L63-F82 HydrophobicContact CD1-CD2 4.37Å; F82-D84 VanDerWaalsContact C-N 3.28Å; F82-D84 PolarHBondContact O-N 3Å; F82-L85 HydrophobicContact CD2-CD1 4Å; F82-L85 HydrophobicContact CE2-CD1 4.26Å; F82-L85 WeakPolarHBondContact O-CB 3.4Å; F82-L85 PolarHBondContact O-N 3.09Å
83L87Confident86.7Confident91 Ų9153.4 Ų53.448%0.47630%0.302SS..THydrogen-bonded Turntrans-67.5-34.3177-66.9173.2000111.4Y46 S81 L85 G86Y46-L83 HydrophobicContact CE2-CD2 4.27Å; Y46-L83 WeakPolarHBondContact OH-CD2 3.39Å; S81-L83 VanDerWaalsContact C-N 3.29Å; S81-L83 PolarHBondContact O-N 3.48Å; S81-L83 PolarHBondContact OG-N 3.17Å; L83-L85 PolarHBondContact O-N 3.4Å; L83-G86 PolarHBondContact O-N 3.42Å
84D87.4Confident86.8Confident51 Ų5154 Ų5427%0.27329%0.294SS..G310 helixtrans-64.1-26.1177.8-64.3-36.8000112.3V80 S81 F82 G86 R87 C88 L91V80-D84 HydrophobicContact CG1-CB 3.79Å; S81-D84 WeakPolarHBondContact CA-OD2 3.33Å; S81-D84 WeakPolarHBondContact CB-OD2 3.47Å; S81-D84 PolarHBondContact N-OD2 3.18Å; S81-D84 WeakPolarHBondContact O-CB 3.32Å; S81-D84 PolarHBondContact O-N 2.85Å; S81-D84 PolarHBondContact OG-N 2.8Å; S81-D84 PolarHBondContact OG-OD2 3.29Å; F82-D84 VanDerWaalsContact C-N 3.28Å; F82-D84 PolarHBondContact O-N 3Å; D84-G86 PolarHBondContact O-N 3.11Å; D84-R87 CarbonylContact O-C 3.37Å; D84-R87 PolarHBondContact O-N 3.37Å; D84-C88 PolarHBondContact O-N 2.95Å; D84-L91 HydrophobicContact CB-CD1 3.53Å
85L89.8Confident87.2Confident0 Ų053 Ų530%029%0.287CS..G310 helixtrans-59.7-29.2172.2-63.2-173.1000113V8 C42 E43 Y46 L63 V80 F82 L83 R87 C88V8-L85 HydrophobicContact CG1-CD1 4.09Å; V8-L85 HydrophobicContact CG1-CD2 4.31Å; C42-L85 CarbonylContact C-O 3.4Å; C42-L85 HydrophobicContact CB-CD2 4.2Å; E43-L85 VanDerWaalsContact CA-O 3.24Å; E43-L85 WeakPolarHBondContact CA-O 3.19Å; E43-L85 VanDerWaalsContact CG-O 3.3Å; E43-L85 WeakPolarHBondContact CG-O 3.26Å; E43-L85 PolarHBondContact N-O 2.82Å; Y46-L85 HydrophobicContact CD2-CB 4.36Å; L63-L85 HydrophobicContact CD1-CD1 3.99Å; L63-L85 HydrophobicContact CD1-CG 4.23Å; L63-L85 HydrophobicContact CD2-CD2 4.27Å; V80-L85 HydrophobicContact CG1-CD2 4.39Å; F82-L85 HydrophobicContact CD2-CD1 4Å; F82-L85 HydrophobicContact CE2-CD1 4.26Å; F82-L85 WeakPolarHBondContact O-CB 3.4Å; F82-L85 PolarHBondContact O-N 3.09Å; L83-L85 PolarHBondContact O-N 3.4Å; L85-R87 PolarHBondContact O-N 2.97Å; L85-C88 VanDerWaalsContact CA-SG 3.58Å
86G85.9Confident87.9Confident23 Ų2347.8 Ų47.824%0.23725%0.252CS..G310 helixtrans-72.9-9.2176.600000114.2Y46 L83 D84Y46-G86 VanDerWaalsContact CG-CA 3.49Å; L83-G86 PolarHBondContact O-N 3.42Å; D84-G86 PolarHBondContact O-N 3.11Å
87R88.7Confident88.4Confident143 Ų14342.9 Ų42.954%0.5423%0.231SC..G310 helixtrans-134.528.8-179.2-59.5-176.462.9-162.9-3111.6D84 L85 Q89 D90 L91D84-R87 CarbonylContact O-C 3.37Å; D84-R87 PolarHBondContact O-N 3.37Å; L85-R87 PolarHBondContact O-N 2.97Å; R87-Q89 PolarHBondContact O-N 3.14Å; R87-D90 HydrophobicContact CB-CB 4.35Å; R87-D90 IonicContact CZ-OD2 3.62Å; R87-D90 IonicContact NE-OD2 3.92Å; R87-D90 PolarHBondContact NE-OD2 3.32Å; R87-D90 IonicContact NH2-OD2 2.61Å; R87-D90 PolarHBondContact NH2-OD2 2.96Å; R87-D90 WeakPolarHBondContact O-CB 3.29Å; R87-D90 PolarHBondContact O-N 3.36Å; R87-D90 VanDerWaalsContact O-N 3.15Å; R87-L91 WeakPolarHBondContact O-CG 3.26Å; R87-L91 PolarHBondContact O-N 3.27Å
88C89.6Confident88.6Confident0 Ų048.2 Ų48.20%026%0.26CS..Hα-helixtrans-58.5-34.5-174.3-93.40000113.1A39 C42 E43 D84 L85 L92A39-C88 HydrophobicContact CB-CB 3.88Å; A39-C88 WeakPolarHBondContact O-CB 3.3Å; C42-C88 HydrophobicContact CB-CB 4.12Å; E43-C88 HydrophobicContact CG-CB 4.16Å; E43-C88 PolarHBondContact OE1-N 2.95Å; E43-C88 VanDerWaalsContact OE1-N 3.15Å; D84-C88 PolarHBondContact O-N 2.95Å; L85-C88 VanDerWaalsContact CA-SG 3.58Å; C88-L92 WeakPolarHBondContact O-CB 3.45Å; C88-L92 PolarHBondContact O-N 3.13Å
89Q90.4Very high89Confident41 Ų4143.8 Ų43.819%0.19224%0.237CC..Hα-helixtrans-68.1-42.7178.1-67.2-177.450.100111.3F36 A39 R40 E43 R87 L91 L92 L93F36-Q89 HydrophobicContact CD1-CB 4.3Å; F36-Q89 HydrophobicContact CD1-CG 4.4Å; A39-Q89 HydrophobicContact CB-CB 4.47Å; A39-Q89 HydrophobicContact CB-CG 3.84Å; R40-Q89 HydrophobicContact CB-CG 4.36Å; R40-Q89 VanDerWaalsContact CB-NE2 3.27Å; E43-Q89 VanDerWaalsContact OE1-CB 3.3Å; E43-Q89 WeakPolarHBondContact OE1-CB 3.38Å; E43-Q89 WeakPolarHBondContact OE1-CG 3.31Å; E43-Q89 PolarHBondContact OE1-N 2.92Å; E43-Q89 PolarHBondContact OE2-NE2 3.34Å; R87-Q89 PolarHBondContact O-N 3.14Å; Q89-L91 VanDerWaalsContact C-N 3.33Å; Q89-L91 PolarHBondContact O-N 3.04Å; Q89-L92 PolarHBondContact O-N 3.42Å; Q89-L93 WeakPolarHBondContact O-CB 3.48Å; Q89-L93 PolarHBondContact O-N 2.83Å
90D87.6Confident89.1Confident79 Ų7946.6 Ų46.642%0.42225%0.252SS..Hα-helixtrans-59.9-45.6175.3-66.1-15.2000111R87 L93 L94R87-D90 HydrophobicContact CB-CB 4.35Å; R87-D90 IonicContact CZ-OD2 3.62Å; R87-D90 IonicContact NE-OD2 3.92Å; R87-D90 PolarHBondContact NE-OD2 3.32Å; R87-D90 IonicContact NH2-OD2 2.61Å; R87-D90 PolarHBondContact NH2-OD2 2.96Å; R87-D90 WeakPolarHBondContact O-CB 3.29Å; R87-D90 PolarHBondContact O-N 3.36Å; R87-D90 VanDerWaalsContact O-N 3.15Å; D90-L93 PolarHBondContact O-N 3.41Å; D90-L94 WeakPolarHBondContact O-CB 3.44Å; D90-L94 PolarHBondContact O-N 3.01Å
91L89.9Confident89.3Confident30 Ų3047.5 Ų47.516%0.15726%0.26CS..Hα-helixtrans-65.3-43.7-179.9-70.8171.7000111.7D84 R87 Q89 L93 L94 W95D84-L91 HydrophobicContact CB-CD1 3.53Å; R87-L91 WeakPolarHBondContact O-CG 3.26Å; R87-L91 PolarHBondContact O-N 3.27Å; Q89-L91 VanDerWaalsContact C-N 3.33Å; Q89-L91 PolarHBondContact O-N 3.04Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3Å; L91-L94 PolarHBondContact O-N 3.28Å; L91-W95 HydrophobicContact CD2-CZ2 4.29Å; L91-W95 VanDerWaalsContact O-CB 3.27Å; L91-W95 WeakPolarHBondContact O-CB 3.3Å; L91-W95 PolarHBondContact O-N 3.34Å
92L92.8Very high89.4Confident0 Ų045.8 Ų45.80%025%0.247CC..Hα-helixtrans-58.9-46.3174.7-18061.9000111L14 L15 A18 A35 F36 A39 C88 Q89 W95 L96L14-L92 HydrophobicContact CD2-CD1 4.16Å; L15-L92 HydrophobicContact CD2-CB 3.59Å; L15-L92 HydrophobicContact CD2-CD1 3.94Å; L15-L92 HydrophobicContact CD2-CG 4.32Å; A18-L92 HydrophobicContact CB-CD1 3.66Å; A35-L92 VanDerWaalsContact C-CD2 3.46Å; A35-L92 HydrophobicContact CB-CD2 3.83Å; F36-L92 HydrophobicContact CB-CD2 4.39Å; F36-L92 HydrophobicContact CD1-CD2 3.98Å; F36-L92 HydrophobicContact CD2-CD2 3.83Å; F36-L92 HydrophobicContact CE1-CB 4.46Å; F36-L92 HydrophobicContact CE1-CD2 4.14Å; F36-L92 HydrophobicContact CE1-CG 4.39Å; F36-L92 HydrophobicContact CE2-CD2 4.01Å; F36-L92 HydrophobicContact CE2-CG 4.31Å; F36-L92 HydrophobicContact CG-CD2 3.82Å; F36-L92 HydrophobicContact CZ-CD2 4.15Å; F36-L92 HydrophobicContact CZ-CG 4.18Å; A39-L92 HydrophobicContact CB-CB 4.45Å; A39-L92 HydrophobicContact CB-CD2 4.07Å; C88-L92 WeakPolarHBondContact O-CB 3.45Å; C88-L92 PolarHBondContact O-N 3.13Å; Q89-L92 PolarHBondContact O-N 3.42Å; L92-W95 PolarHBondContact O-N 2.96Å; L92-L96 HydrophobicContact CD1-CD1 4.04Å; L92-L96 HydrophobicContact CD1-CG 4.17Å; L92-L96 HydrophobicContact CG-CD1 3.98Å; L92-L96 HydrophobicContact CG-CG 4.5Å; L92-L96 WeakPolarHBondContact O-CB 3.29Å; L92-L96 VanDerWaalsContact O-CG 3.28Å; L92-L96 WeakPolarHBondContact O-CG 3.45Å; L92-L96 PolarHBondContact O-N 2.84Å
93L91.5Very high89.7Confident16 Ų1646.1 Ų46.18%0.08425%0.25CC..Hα-helixtrans-62.3-48.4179.1-178.462.3000111.4F36 Q89 D90 L91 W95 L96 L97 L110 L130 I134F36-L93 HydrophobicContact CE1-CB 4.1Å; F36-L93 HydrophobicContact CZ-CB 3.95Å; F36-L93 HydrophobicContact CZ-CD1 4.05Å; Q89-L93 WeakPolarHBondContact O-CB 3.48Å; Q89-L93 PolarHBondContact O-N 2.83Å; D90-L93 PolarHBondContact O-N 3.41Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3Å; L93-W95 VanDerWaalsContact C-N 3.33Å; L93-W95 PolarHBondContact O-N 3.3Å; L93-L96 PolarHBondContact O-N 3Å; L93-L97 HydrophobicContact CD1-CD1 4.07Å; L93-L97 HydrophobicContact CD1-CG 4.26Å; L93-L97 HydrophobicContact CG-CD1 4.04Å; L93-L97 WeakPolarHBondContact O-CB 3.49Å; L93-L97 VanDerWaalsContact O-CG 3.26Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 3.18Å; L93-L110 HydrophobicContact CD1-CD1 4.08Å; L93-L110 HydrophobicContact CD1-CD2 4.18Å; L93-L130 HydrophobicContact CD2-CB 4.5Å; L93-I134 HydrophobicContact CD2-CD1 3.77Å
94L88.9Confident89.8Confident89 Ų8946.5 Ų46.547%0.46626%0.255SS..Hα-helixtrans-58.7-46178.8-178.765.9000111.4D90 L91 L97 N98D90-L94 WeakPolarHBondContact O-CB 3.44Å; D90-L94 PolarHBondContact O-N 3.01Å; L91-L94 PolarHBondContact O-N 3.28Å; L94-L97 PolarHBondContact O-N 3.21Å; L94-N98 WeakPolarHBondContact O-CB 3.44Å; L94-N98 PolarHBondContact O-N 3.4Å; L94-N98 PolarHBondContact O-ND2 3.1Å
95W90.9Very high89.9Confident35 Ų3547.9 Ų47.913%0.13327%0.269CS..Hα-helixtrans-71-37-177.4-68.4-5.5000112.7L15 A19 V80 L91 L92 L93 N98 N99L15-W95 HydrophobicContact CB-CE3 3.68Å; L15-W95 HydrophobicContact CB-CZ3 3.46Å; L15-W95 VanDerWaalsContact CB-CZ3 3.46Å; L15-W95 HydrophobicContact CD1-CZ3 4.42Å; L15-W95 HydrophobicContact CD2-CE3 4.27Å; L15-W95 HydrophobicContact CG-CZ3 4.36Å; L15-W95 VanDerWaalsContact O-CE3 3.32Å; A19-W95 HydrophobicContact CB-CB 3.81Å; A19-W95 HydrophobicContact CB-CD2 4.02Å; A19-W95 HydrophobicContact CB-CE3 4.01Å; A19-W95 HydrophobicContact CB-CG 3.93Å; V80-W95 HydrophobicContact CG2-CH2 3.59Å; V80-W95 HydrophobicContact CG2-CZ3 4.07Å; L91-W95 HydrophobicContact CD2-CZ2 4.29Å; L91-W95 VanDerWaalsContact O-CB 3.27Å; L91-W95 WeakPolarHBondContact O-CB 3.3Å; L91-W95 PolarHBondContact O-N 3.34Å; L92-W95 PolarHBondContact O-N 2.96Å; L93-W95 VanDerWaalsContact C-N 3.33Å; L93-W95 PolarHBondContact O-N 3.3Å; W95-N98 PolarHBondContact O-N 3.25Å; W95-N99 PolarHBondContact O-N 2.73Å
96L91.8Very high90Very high0 Ų048.1 Ų48.10%027%0.27CS..Hα-helixtrans-62.1-46.1171-76.6171.9000111.7A18 V24 W27 V32 F36 L92 L93 N98 N99 L102A18-L96 HydrophobicContact CB-CD2 3.84Å; A18-L96 HydrophobicContact CB-CG 4.08Å; V24-L96 HydrophobicContact CG1-CD2 3.97Å; W27-L96 HydrophobicContact CE3-CD2 4.08Å; W27-L96 HydrophobicContact CZ3-CD2 3.76Å; V32-L96 HydrophobicContact CG1-CD1 4.41Å; F36-L96 HydrophobicContact CE2-CD1 3.92Å; F36-L96 HydrophobicContact CZ-CD1 4.33Å; L92-L96 HydrophobicContact CD1-CD1 4.04Å; L92-L96 HydrophobicContact CD1-CG 4.17Å; L92-L96 HydrophobicContact CG-CD1 3.98Å; L92-L96 HydrophobicContact CG-CG 4.5Å; L92-L96 WeakPolarHBondContact O-CB 3.29Å; L92-L96 VanDerWaalsContact O-CG 3.28Å; L92-L96 WeakPolarHBondContact O-CG 3.45Å; L92-L96 PolarHBondContact O-N 2.84Å; L93-L96 PolarHBondContact O-N 3Å; L96-N98 VanDerWaalsContact C-N 3.28Å; L96-N98 PolarHBondContact O-N 3.07Å; L96-N99 PolarHBondContact O-N 2.86Å; L96-N99 VanDerWaalsContact O-N 3.15Å; L96-L102 HydrophobicContact CB-CD1 4.33Å; L96-L102 HydrophobicContact CD2-CD1 4.12Å; L96-L102 WeakPolarHBondContact O-CD2 3.47Å
97L89.7Confident90.1Very high56 Ų5650.5 Ų50.529%0.29328%0.276SS..Hα-helixtrans-66.9-28.9-178.6-70.3175.4000113.1L93 L94 L102 L110 F111L93-L97 HydrophobicContact CD1-CD1 4.07Å; L93-L97 HydrophobicContact CD1-CG 4.26Å; L93-L97 HydrophobicContact CG-CD1 4.04Å; L93-L97 WeakPolarHBondContact O-CB 3.49Å; L93-L97 VanDerWaalsContact O-CG 3.26Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 3.18Å; L94-L97 PolarHBondContact O-N 3.21Å; L97-L102 HydrophobicContact CD2-CD2 4.32Å; L97-L110 HydrophobicContact CD2-CD1 4.39Å; L97-F111 HydrophobicContact CD2-CE2 3.77Å; L97-F111 HydrophobicContact CD2-CZ 4.13Å
98N86.9Confident90Very high121 Ų12150 Ų5065%0.64728%0.278SS*.Hα-helixtrans-83.2-11175.6-72-21.9000113.3L94 W95 L96 S100L94-N98 WeakPolarHBondContact O-CB 3.44Å; L94-N98 PolarHBondContact O-N 3.4Å; L94-N98 PolarHBondContact O-ND2 3.1Å; W95-N98 PolarHBondContact O-N 3.25Å; L96-N98 VanDerWaalsContact C-N 3.28Å; L96-N98 PolarHBondContact O-N 3.07Å; N98-S100 PolarHBondContact O-N 3.25Å
99N89.3Confident89.9Confident15 Ų1550.1 Ų50.18%0.0828%0.279CS..  trans-82.9117.1179.8-170.2-26.5000111A18 S21 V24 W95 L96 A101 L102A18-N99 WeakPolarHBondContact O-CB 3.45Å; A18-N99 PolarHBondContact O-ND2 3.35Å; S21-N99 PolarHBondContact O-ND2 3.29Å; V24-N99 WeakPolarHBondContact CG2-ND2 3.35Å; W95-N99 PolarHBondContact O-N 2.73Å; L96-N99 PolarHBondContact O-N 2.86Å; L96-N99 VanDerWaalsContact O-N 3.15Å; N99-A101 PolarHBondContact O-N 3.3Å; N99-A101 VanDerWaalsContact O-N 3.14Å; N99-A101 WeakPolarHBondContact OD1-CB 3.34Å; N99-A101 PolarHBondContact OD1-N 3.45Å; N99-L102 VanDerWaalsContact O-CB 3.31Å; N99-L102 WeakPolarHBondContact O-CB 3.36Å; N99-L102 PolarHBondContact O-N 2.88Å
100S88.4Confident89.8Confident129 Ų12948.2 Ų48.290%0.90227%0.27SS*.THydrogen-bonded Turntrans-61.2-20.2178.665.20000114.7N98 L102N98-S100 PolarHBondContact O-N 3.25Å; S100-L102 VanDerWaalsContact C-N 3.31Å
101A92.1Very high89.7Confident21 Ų2148.4 Ų48.417%0.17427%0.267CS..THydrogen-bonded Turntrans-85.71.4177.600000113.4N25 N99 P103N25-A101 VanDerWaalsContact CA-O 3.23Å; N25-A101 WeakPolarHBondContact CA-O 3.32Å; N25-A101 HydrophobicContact CB-CB 4.36Å; N25-A101 WeakPolarHBondContact CB-O 3.36Å; N25-A101 PolarHBondContact N-O 3.02Å; N99-A101 PolarHBondContact O-N 3.3Å; N99-A101 VanDerWaalsContact O-N 3.14Å; N99-A101 WeakPolarHBondContact OD1-CB 3.34Å; N99-A101 PolarHBondContact OD1-N 3.45Å; A101-P103 VanDerWaalsContact O-CD 3.31Å; A101-P103 WeakPolarHBondContact O-CD 3.47Å
102L92.4Very high89.4Confident14 Ų1450.8 Ų50.87%0.07328%0.277CS..  trans-62.7121.4179.8-174.869.4000111.1V24 L96 L97 N99 S100 V104 I106 M107V24-L102 HydrophobicContact CG1-CD1 3.98Å; L96-L102 HydrophobicContact CB-CD1 4.33Å; L96-L102 HydrophobicContact CD2-CD1 4.12Å; L96-L102 WeakPolarHBondContact O-CD2 3.47Å; L97-L102 HydrophobicContact CD2-CD2 4.32Å; N99-L102 VanDerWaalsContact O-CB 3.31Å; N99-L102 WeakPolarHBondContact O-CB 3.36Å; N99-L102 PolarHBondContact O-N 2.88Å; S100-L102 VanDerWaalsContact C-N 3.31Å; L102-V104 PolarHBondContact O-N 3.44Å; L102-I106 HydrophobicContact CD1-CB 4.19Å; L102-I106 HydrophobicContact CD1-CG2 3.83Å; L102-M107 HydrophobicContact CD2-CB 4.12Å; L102-M107 HydrophobicContact CD2-CE 3.96Å
103P92.5Very high88.1Confident15 Ų1556 Ų5610%0.09731%0.309CS..  trans-61.6138177.7-24.534.3000112.2V24 N25 A101 S105 I106 M107V24-P103 VanDerWaalsContact O-CD 3.31Å; V24-P103 WeakPolarHBondContact O-CD 3.34Å; N25-P103 WeakPolarHBondContact O-CG 3.49Å; A101-P103 VanDerWaalsContact O-CD 3.31Å; A101-P103 WeakPolarHBondContact O-CD 3.47Å; P103-S105 PolarHBondContact O-N 3.33Å; P103-S105 VanDerWaalsContact O-N 3.16Å; P103-I106 HydrophobicContact CB-CG1 4.12Å; P103-I106 HydrophobicContact CG-CG1 4.25Å; P103-I106 PolarHBondContact O-N 2.96Å; P103-M107 PolarHBondContact O-N 3.12Å
104V89.5Confident86.9Confident98 Ų9860.5 Ų60.559%0.59433%0.328SS*.Hα-helixtrans-58.7-30.5177.81770000112.1L102 M107 K108L102-V104 PolarHBondContact O-N 3.44Å; V104-M107 PolarHBondContact O-N 3.49Å; V104-K108 HydrophobicContact CG1-CD 4.33Å; V104-K108 HydrophobicContact CG1-CG 4.44Å; V104-K108 WeakPolarHBondContact O-CB 3.39Å; V104-K108 VanDerWaalsContact O-CG 3.29Å; V104-K108 WeakPolarHBondContact O-CG 3.49Å; V104-K108 PolarHBondContact O-N 2.9Å
105S89.8Confident85.1Confident80 Ų8060.3 Ų60.356%0.55934%0.339SS*.Hα-helixtrans-63.1-44.9174.447.70000112.3P103 K108 M109P103-S105 PolarHBondContact O-N 3.33Å; P103-S105 VanDerWaalsContact O-N 3.16Å; S105-K108 PolarHBondContact O-N 2.83Å; S105-M109 PolarHBondContact O-N 3.22Å
106I90.6Very high83.1Confident5 Ų564.9 Ų64.93%0.02638%0.377CS..Hα-helixtrans-67.8-43.6176.2-59.9-51.6000110.3E29 V32 L102 P103 K108 M109 L110E29-I106 HydrophobicContact CB-CD1 4.42Å; V32-I106 HydrophobicContact CB-CG2 4.41Å; V32-I106 HydrophobicContact CG1-CG2 4.18Å; V32-I106 HydrophobicContact CG2-CD1 3.98Å; V32-I106 HydrophobicContact CG2-CG1 4.11Å; V32-I106 HydrophobicContact CG2-CG2 3.62Å; L102-I106 HydrophobicContact CD1-CB 4.19Å; L102-I106 HydrophobicContact CD1-CG2 3.83Å; P103-I106 HydrophobicContact CB-CG1 4.12Å; P103-I106 HydrophobicContact CG-CG1 4.25Å; P103-I106 PolarHBondContact O-N 2.96Å; I106-K108 VanDerWaalsContact C-N 3.33Å; I106-K108 PolarHBondContact O-N 3.48Å; I106-M109 HydrophobicContact CG2-CE 4.19Å; I106-M109 PolarHBondContact O-N 3.3Å; I106-L110 HydrophobicContact CG2-CD1 4.23Å; I106-L110 HydrophobicContact CG2-CG 4.44Å; I106-L110 WeakPolarHBondContact O-CG 3.49Å; I106-L110 PolarHBondContact O-N 3.26Å
107M87.9Confident80.7Confident73 Ų7368.3 Ų68.336%0.3641%0.405SS..Hα-helixtrans-55.9-49.6174.7-171.5178.5-76.600110.4L102 P103 V104 M109 L110 F111L102-M107 HydrophobicContact CD2-CB 4.12Å; L102-M107 HydrophobicContact CD2-CE 3.96Å; P103-M107 PolarHBondContact O-N 3.12Å; V104-M107 PolarHBondContact O-N 3.49Å; M107-M109 PolarHBondContact O-N 3.37Å; M107-L110 PolarHBondContact O-N 3.32Å; M107-F111 HydrophobicContact CG-CD2 3.83Å; M107-F111 HydrophobicContact CG-CE2 3.84Å; M107-F111 WeakPolarHBondContact O-CD2 3.42Å; M107-F111 PolarHBondContact O-N 2.94Å; M107-F111 VanDerWaalsContact O-N 3.15Å
108K87.3Confident78.7Confident132 Ų13274 Ų7457%0.57444%0.436SS*.Hα-helixtrans-55.4-48.7175.3-76.9175.3179-178.80112.1V104 S105 I106 L110 F111 E112V104-K108 HydrophobicContact CG1-CD 4.33Å; V104-K108 HydrophobicContact CG1-CG 4.44Å; V104-K108 WeakPolarHBondContact O-CB 3.39Å; V104-K108 VanDerWaalsContact O-CG 3.29Å; V104-K108 WeakPolarHBondContact O-CG 3.49Å; V104-K108 PolarHBondContact O-N 2.9Å; S105-K108 PolarHBondContact O-N 2.83Å; I106-K108 VanDerWaalsContact C-N 3.33Å; I106-K108 PolarHBondContact O-N 3.48Å; K108-L110 VanDerWaalsContact C-N 3.32Å; K108-L110 PolarHBondContact O-N 3.27Å; K108-F111 CarbonylContact O-C 3.58Å; K108-F111 PolarHBondContact O-N 3.16Å; K108-F111 VanDerWaalsContact O-N 3.07Å; K108-E112 VanDerWaalsContact O-CG 3.28Å; K108-E112 WeakPolarHBondContact O-CG 3.26Å; K108-E112 PolarHBondContact O-N 3.23Å
109M87.9Confident76.5Confident4 Ų473 Ų732%0.0244%0.438CS..Hα-helixtrans-56.5-43.1177.8177.8-80.5-67.400112.3E29 V32 S105 I106 M107 F111 E112 V127 R128 G129E29-M109 HydrophobicContact CG-CE 4.36Å; E29-M109 HydrophobicContact CG-CG 4.23Å; V32-M109 HydrophobicContact CB-CE 4.36Å; V32-M109 HydrophobicContact CG1-CE 3.91Å; S105-M109 PolarHBondContact O-N 3.22Å; I106-M109 HydrophobicContact CG2-CE 4.19Å; I106-M109 PolarHBondContact O-N 3.3Å; M107-M109 PolarHBondContact O-N 3.37Å; M109-F111 VanDerWaalsContact C-N 3.28Å; M109-F111 PolarHBondContact O-N 3.13Å; M109-E112 PolarHBondContact O-N 3.2Å; M109-V127 HydrophobicContact CE-CG1 4.22Å; M109-V127 HydrophobicContact SD-CG1 4.25Å; M109-R128 HydrophobicContact CG-CB 4.36Å; M109-R128 HydrophobicContact CG-CG 4.25Å; M109-R128 WeakPolarHBondContact O-CA 3.3Å; M109-R128 WeakPolarHBondContact O-CG 3.5Å; M109-R128 HydrophobicContact SD-CB 4.25Å; M109-G129 PolarHBondContact O-N 2.84Å
110L87.8Confident74.4Confident0 Ų078.5 Ų78.50%047%0.472CS..Hα-helixtrans-64.7-30.7177.9-67.6173000113.2F36 L93 L97 I106 M107 K108 V127 G129 L130 C131F36-L110 HydrophobicContact CE2-CD2 4.2Å; F36-L110 HydrophobicContact CZ-CD2 4.47Å; L93-L110 HydrophobicContact CD1-CD1 4.08Å; L93-L110 HydrophobicContact CD1-CD2 4.18Å; L97-L110 HydrophobicContact CD2-CD1 4.39Å; I106-L110 HydrophobicContact CG2-CD1 4.23Å; I106-L110 HydrophobicContact CG2-CG 4.44Å; I106-L110 WeakPolarHBondContact O-CG 3.49Å; I106-L110 PolarHBondContact O-N 3.26Å; M107-L110 PolarHBondContact O-N 3.32Å; K108-L110 VanDerWaalsContact C-N 3.32Å; K108-L110 PolarHBondContact O-N 3.27Å; L110-V127 HydrophobicContact CD2-CG1 3.85Å; L110-G129 CarbonylContact O-C 3.6Å; L110-G129 WeakPolarHBondContact O-CA 3.15Å; L110-G129 PolarHBondContact O-N 2.95Å; L110-L130 HydrophobicContact CD2-CD1 4.45Å; L110-L130 PolarHBondContact O-N 3.43Å; L110-C131 WeakPolarHBondContact O-CB 3.29Å; L110-C131 PolarHBondContact O-N 3.04Å
111F85.1Confident72.4Confident84 Ų8478.1 Ų78.137%0.36847%0.469SS..Hα-helixtrans-97.1-4.7-179.8-75.4-76.1000114.5L97 M107 K108 M109 T113 C131 S132 I135L97-F111 HydrophobicContact CD2-CE2 3.77Å; L97-F111 HydrophobicContact CD2-CZ 4.13Å; M107-F111 HydrophobicContact CG-CD2 3.83Å; M107-F111 HydrophobicContact CG-CE2 3.84Å; M107-F111 WeakPolarHBondContact O-CD2 3.42Å; M107-F111 PolarHBondContact O-N 2.94Å; M107-F111 VanDerWaalsContact O-N 3.15Å; K108-F111 CarbonylContact O-C 3.58Å; K108-F111 PolarHBondContact O-N 3.16Å; K108-F111 VanDerWaalsContact O-N 3.07Å; M109-F111 VanDerWaalsContact C-N 3.28Å; M109-F111 PolarHBondContact O-N 3.13Å; F111-T113 PolarHBondContact O-N 3.08Å; F111-C131 HydrophobicContact CD1-CB 3.35Å; F111-C131 HydrophobicContact CE1-CB 3.36Å; F111-C131 HydrophobicContact CG-CB 3.99Å; F111-C131 HydrophobicContact CZ-CB 3.99Å; F111-S132 PolarHBondContact O-OG 3.22Å; F111-I135 HydrophobicContact CD1-CD1 3.57Å; F111-I135 HydrophobicContact CE1-CD1 3.86Å
112E83.6Confident69.9Low80 Ų8081.2 Ų81.237%0.37449%0.49SS..  trans-66.9128.2-177.4-93.2174.4-146.300111.1K108 M109 K114 R128 G129 S132K108-E112 VanDerWaalsContact O-CG 3.28Å; K108-E112 WeakPolarHBondContact O-CG 3.26Å; K108-E112 PolarHBondContact O-N 3.23Å; M109-E112 PolarHBondContact O-N 3.2Å; E112-K114 PolarHBondContact O-N 3.19Å; E112-R128 HydrophobicContact CB-CG 3.84Å; E112-R128 IonicContact OE1-NH1 3.92Å; E112-R128 WeakPolarHBondContact OE2-CD 3.34Å; E112-R128 IonicContact OE2-CZ 2.72Å; E112-R128 IonicContact OE2-NE 3.49Å; E112-R128 IonicContact OE2-NH1 2.55Å; E112-R128 PolarHBondContact OE2-NH1 2.89Å; E112-G129 WeakPolarHBondContact O-CA 3.25Å; E112-G129 PolarHBondContact O-N 3.45Å; E112-S132 PolarHBondContact O-OG 3.07Å; E112-S132 VanDerWaalsContact O-OG 3.06Å
113T66.8Low67.6Low109 Ų10988.8 Ų88.867%0.66953%0.531SS*.  trans-66.6118.2173.4-500000108.2F111 A115F111-T113 PolarHBondContact O-N 3.08Å; T113-A115 PolarHBondContact O-N 2.75Å
114K64.9Low65.6Low111 Ų11195.7 Ų95.748%0.48356%0.556SS.*  trans-55.9111.3170.3-68.9-169.9-177.4-175.10107.5E112 S116 D126 R128E112-K114 PolarHBondContact O-N 3.19Å; K114-S116 PolarHBondContact O-N 3.01Å; K114-D126 PolarHBondContact NZ-O 3.47Å; K114-R128 WeakPolarHBondContact CE-O 3.09Å
115A51.3Low64.2Low85 Ų8596.8 Ų96.870%0.70256%0.555SS**  trans-58.8126.9164.600000105.9T113 A117T113-A115 PolarHBondContact O-N 2.75Å; A115-A117 PolarHBondContact O-N 2.96Å
116S50.3Low63.1Low131 Ų13196.3 Ų96.392%0.91655%0.546SS*.  trans-60.493.4168.8171.60000107K114K114-S116 PolarHBondContact O-N 3.01Å
117A41.1Very low62.4Low71 Ų7196.3 Ų96.359%0.58755%0.546SS*.  trans-116117.2171.400000106A115 S119A115-A117 PolarHBondContact O-N 2.96Å; A117-S119 PolarHBondContact O-N 3.22Å
118D46.6Very low62Low176 Ų17696 Ų9694%0.94154%0.541SS*.  trans-45.8104.9157.4-80.4-40.7000108.6
119S41.5Very low61.3Low99 Ų9990.1 Ų90.169%0.69252%0.517SS*.  trans-141.996.4165.169.10000109.4A117A117-S119 PolarHBondContact O-N 3.22Å
120T45.4Very low60.9Low132 Ų13292.4 Ų92.481%0.8153%0.529SS*.  trans-39.8137.2151.230.80000111.4
121S45.6Very low60.6Low120 Ų12092.6 Ų92.684%0.83953%0.531SS*.  trans69.880.8161.8660000118.7
122S40.6Very low60.2Low87 Ų8789.2 Ų89.261%0.60852%0.517SS*.  trans-147121.1135.2175.70000107.9Y124S122-Y124 PolarHBondContact O-N 3.12Å; S122-Y124 PolarHBondContact OG-N 2.95Å
123N42.8Very low59.5Low173 Ų17391.8 Ų91.893%0.92553%0.53SS*.SBendtrans-70.610.3177.7-105-6.5000113.1
124Y51.3Low59.9Low159 Ų15990.5 Ų90.562%0.62452%0.518SS*.SBendtrans-114.9114.3179-69.8-82.5000108.5H37 S122 D126H37-Y124 AromaticContact CE1-CD1 3.45Å; H37-Y124 VanDerWaalsContact CE1-CD1 3.45Å; H37-Y124 WeakPolarHBondContact CE1-CD1 3.31Å; H37-Y124 AromaticContact NE2-CD1 3.61Å; S122-Y124 PolarHBondContact O-N 3.12Å; S122-Y124 PolarHBondContact OG-N 2.95Å; Y124-D126 PolarHBondContact O-N 3.24Å
125E60Low60.5Low122 Ų12289.4 Ų89.457%0.5752%0.516SS*.  trans-60.4120.3172.7-85.3165.7-14900109.6R40 V127R40-E125 IonicContact CZ-OE1 3.65Å; R40-E125 IonicContact CZ-OE2 3.37Å; R40-E125 IonicContact NH1-OE1 2.8Å; R40-E125 PolarHBondContact NH1-OE1 3.09Å; R40-E125 IonicContact NH1-OE2 3.48Å; R40-E125 PolarHBondContact NH1-OE2 3.44Å; R40-E125 IonicContact NH2-OE1 2.99Å; R40-E125 PolarHBondContact NH2-OE1 2.95Å; R40-E125 IonicContact NH2-OE2 3.43Å; R40-E125 PolarHBondContact NH2-OE2 3.43Å; E125-V127 PolarHBondContact O-N 3.12Å
126D67.6Low61.7Low69 Ų6990.8 Ų90.837%0.36951%0.508SS..  trans-66.2126.4177.2-175.87.8000110.7K114 Y124 R128K114-D126 PolarHBondContact NZ-O 3.47Å; Y124-D126 PolarHBondContact O-N 3.24Å; D126-R128 VanDerWaalsContact CG-CB 3.47Å; D126-R128 PolarHBondContact O-N 3.42Å; D126-R128 VanDerWaalsContact OD1-CB 3.25Å; D126-R128 WeakPolarHBondContact OD1-CB 3.48Å; D126-R128 PolarHBondContact OD1-N 3.47Å; D126-R128 VanDerWaalsContact OD2-CB 3.28Å; D126-R128 WeakPolarHBondContact OD2-CB 3.42Å; D126-R128 IonicContact OD2-NE 3.27Å
127V75.3Confident62.5Low6 Ų687.9 Ų87.94%0.03649%0.487CS..  trans-71.7-13.1178.4173.20000111.7V32 T33 F36 M109 L110 E125 G129 L130V32-V127 HydrophobicContact CG1-CG1 4.3Å; T33-V127 HydrophobicContact CG2-CG2 4.14Å; F36-V127 HydrophobicContact CB-CG2 3.71Å; F36-V127 HydrophobicContact CD2-CG1 3.46Å; F36-V127 VanDerWaalsContact CD2-CG1 3.46Å; F36-V127 HydrophobicContact CD2-CG2 4.16Å; F36-V127 HydrophobicContact CE2-CG1 3.76Å; F36-V127 HydrophobicContact CG-CG1 4Å; F36-V127 HydrophobicContact CG-CG2 4.01Å; M109-V127 HydrophobicContact CE-CG1 4.22Å; M109-V127 HydrophobicContact SD-CG1 4.25Å; L110-V127 HydrophobicContact CD2-CG1 3.85Å; E125-V127 PolarHBondContact O-N 3.12Å; V127-G129 PolarHBondContact O-N 3.25Å; V127-L130 HydrophobicContact CB-CD1 4.29Å; V127-L130 HydrophobicContact CG1-CD1 3.64Å; V127-L130 HydrophobicContact CG1-CG 4.48Å; V127-L130 VanDerWaalsContact O-CG 3.28Å; V127-L130 WeakPolarHBondContact O-CG 3.47Å; V127-L130 PolarHBondContact O-N 2.92Å
128R79.8Confident63.9Low66 Ų6691.1 Ų91.125%0.24949%0.488CS..THydrogen-bonded Turntrans-58.1132.4173.4-164.4173.3-62.6-102.5-5.1111.2E29 M109 E112 K114 D126 L130E29-R128 IonicContact OE1-CZ 2.7Å; E29-R128 IonicContact OE1-NH2 3.69Å; E29-R128 PolarHBondContact OE1-NH2 3.1Å; E29-R128 IonicContact OE2-NH2 3.42Å; E29-R128 PolarHBondContact OE2-NH2 3.31Å; E29-R128 VanDerWaalsContact OE2-NH2 3.14Å; M109-R128 HydrophobicContact CG-CB 4.36Å; M109-R128 HydrophobicContact CG-CG 4.25Å; M109-R128 WeakPolarHBondContact O-CA 3.3Å; M109-R128 WeakPolarHBondContact O-CG 3.5Å; M109-R128 HydrophobicContact SD-CB 4.25Å; E112-R128 HydrophobicContact CB-CG 3.84Å; E112-R128 IonicContact OE1-NH1 3.92Å; E112-R128 WeakPolarHBondContact OE2-CD 3.34Å; E112-R128 IonicContact OE2-CZ 2.72Å; E112-R128 IonicContact OE2-NE 3.49Å; E112-R128 IonicContact OE2-NH1 2.55Å; E112-R128 PolarHBondContact OE2-NH1 2.89Å; K114-R128 WeakPolarHBondContact CE-O 3.09Å; D126-R128 VanDerWaalsContact CG-CB 3.47Å; D126-R128 PolarHBondContact O-N 3.42Å; D126-R128 VanDerWaalsContact OD1-CB 3.25Å; D126-R128 WeakPolarHBondContact OD1-CB 3.48Å; D126-R128 PolarHBondContact OD1-N 3.47Å; D126-R128 VanDerWaalsContact OD2-CB 3.28Å; D126-R128 WeakPolarHBondContact OD2-CB 3.42Å; D126-R128 IonicContact OD2-NE 3.27Å; R128-L130 VanDerWaalsContact C-N 3.31Å; R128-L130 PolarHBondContact O-N 3.47Å
129G72.3Confident65.2Low8 Ų885.4 Ų85.48%0.08246%0.462CS..THydrogen-bonded Turntrans69.721.2175.600000115.8M109 L110 E112 V127 C131 S132M109-G129 PolarHBondContact O-N 2.84Å; L110-G129 CarbonylContact O-C 3.6Å; L110-G129 WeakPolarHBondContact O-CA 3.15Å; L110-G129 PolarHBondContact O-N 2.95Å; E112-G129 WeakPolarHBondContact O-CA 3.25Å; E112-G129 PolarHBondContact O-N 3.45Å; V127-G129 PolarHBondContact O-N 3.25Å; G129-C131 PolarHBondContact O-N 3.12Å; G129-S132 WeakPolarHBondContact CA-OG 3.45Å; G129-S132 WeakPolarHBondContact O-CB 3.32Å; G129-S132 PolarHBondContact O-N 3.33Å; G129-S132 PolarHBondContact O-OG 2.91Å
130L79.2Confident66.7Low52 Ų5282.8 Ų82.827%0.27245%0.446SS..Hα-helixtrans-54.1-39.2169.8-79.7173.1000111.7F36 L93 L110 V127 R128 S132F36-L130 HydrophobicContact CD1-CD1 3.84Å; F36-L130 HydrophobicContact CE1-CD1 3.54Å; F36-L130 HydrophobicContact CE2-CD1 4.27Å; F36-L130 HydrophobicContact CG-CD1 4.34Å; F36-L130 HydrophobicContact CZ-CD1 3.78Å; L93-L130 HydrophobicContact CD2-CB 4.5Å; L110-L130 HydrophobicContact CD2-CD1 4.45Å; L110-L130 PolarHBondContact O-N 3.43Å; V127-L130 HydrophobicContact CB-CD1 4.29Å; V127-L130 HydrophobicContact CG1-CD1 3.64Å; V127-L130 HydrophobicContact CG1-CG 4.48Å; V127-L130 VanDerWaalsContact O-CG 3.28Å; V127-L130 WeakPolarHBondContact O-CG 3.47Å; V127-L130 PolarHBondContact O-N 2.92Å; R128-L130 VanDerWaalsContact C-N 3.31Å; R128-L130 PolarHBondContact O-N 3.47Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 3.46Å
131C80.9Confident67.5Low4 Ų480.2 Ų80.23%0.02743%0.433CS..Hα-helixtrans-72.9-21.3176.6-62.60000112.7L110 F111 G129 Q133 I134 I135L110-C131 WeakPolarHBondContact O-CB 3.29Å; L110-C131 PolarHBondContact O-N 3.04Å; F111-C131 HydrophobicContact CD1-CB 3.35Å; F111-C131 HydrophobicContact CE1-CB 3.36Å; F111-C131 HydrophobicContact CG-CB 3.99Å; F111-C131 HydrophobicContact CZ-CB 3.99Å; G129-C131 PolarHBondContact O-N 3.12Å; C131-Q133 VanDerWaalsContact C-N 3.33Å; C131-Q133 PolarHBondContact O-N 3.27Å; C131-I134 PolarHBondContact O-N 2.98Å; C131-I135 WeakPolarHBondContact O-CB 3.4Å; C131-I135 VanDerWaalsContact O-CG1 3.27Å; C131-I135 WeakPolarHBondContact O-CG1 3.4Å; C131-I135 PolarHBondContact O-N 3.42Å
132S76.6Confident68.5Low13 Ų1379 Ų799%0.09142%0.42CS..Hα-helixtrans-63.3-39.5-179.4-56.40000111.4F111 E112 G129 L130 I135 Q136F111-S132 PolarHBondContact O-OG 3.22Å; E112-S132 PolarHBondContact O-OG 3.07Å; E112-S132 VanDerWaalsContact O-OG 3.06Å; G129-S132 WeakPolarHBondContact CA-OG 3.45Å; G129-S132 WeakPolarHBondContact O-CB 3.32Å; G129-S132 PolarHBondContact O-N 3.33Å; G129-S132 PolarHBondContact O-OG 2.91Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 3.46Å; S132-I135 PolarHBondContact O-N 2.87Å; S132-Q136 WeakPolarHBondContact O-CB 3.48Å; S132-Q136 WeakPolarHBondContact O-CG 3.07Å; S132-Q136 PolarHBondContact O-N 3.31Å
133Q69.9Low69.9Low134 Ų13480 Ų8063%0.62642%0.422SS*.Hα-helixtrans-66.3-41.9174.3-173175.7-0.300111.5C131 I135 Q136 C137C131-Q133 VanDerWaalsContact C-N 3.33Å; C131-Q133 PolarHBondContact O-N 3.27Å; Q133-I135 VanDerWaalsContact C-N 3.33Å; Q133-I135 PolarHBondContact O-N 2.96Å; Q133-Q136 PolarHBondContact O-N 3.42Å; Q133-C137 WeakPolarHBondContact O-CB 3.49Å; Q133-C137 PolarHBondContact O-N 2.91Å; Q133-C137 PolarHBondContact O-SG 3.15Å; Q133-C137 VanDerWaalsContact O-SG 3.35Å
134I74.1Confident70.9Confident83 Ų8376 Ų7643%0.42640%0.4SS..Hα-helixtrans-61.8-43.4176.4-60.2173.4000110.5L93 C131 C137 K138L93-I134 HydrophobicContact CD2-CD1 3.77Å; C131-I134 PolarHBondContact O-N 2.98Å; I134-C137 PolarHBondContact O-N 3.47Å; I134-K138 WeakPolarHBondContact O-CB 3.36Å; I134-K138 WeakPolarHBondContact O-CG 3.39Å; I134-K138 PolarHBondContact O-N 3.1Å
135I78.3Confident71.2Confident87 Ų8772.2 Ų72.245%0.44639%0.385SS..Hα-helixtrans-63.5-44.7175.9-70.1165.8000110.5F111 C131 S132 Q133 K138 S139F111-I135 HydrophobicContact CD1-CD1 3.57Å; F111-I135 HydrophobicContact CE1-CD1 3.86Å; C131-I135 WeakPolarHBondContact O-CB 3.4Å; C131-I135 VanDerWaalsContact O-CG1 3.27Å; C131-I135 WeakPolarHBondContact O-CG1 3.4Å; C131-I135 PolarHBondContact O-N 3.42Å; S132-I135 PolarHBondContact O-N 2.87Å; Q133-I135 VanDerWaalsContact C-N 3.33Å; Q133-I135 PolarHBondContact O-N 2.96Å; I135-K138 PolarHBondContact O-N 3.43Å; I135-S139 WeakPolarHBondContact O-CB 3.37Å; I135-S139 PolarHBondContact O-N 3Å; I135-S139 PolarHBondContact O-OG 3.16Å
136Q75.9Confident71Confident115 Ų11570.8 Ų70.854%0.53739%0.386SS..Hα-helixtrans-61.2-47.2177.1-77172.57.600111.1S132 Q133 S139 A140S132-Q136 WeakPolarHBondContact O-CB 3.48Å; S132-Q136 WeakPolarHBondContact O-CG 3.07Å; S132-Q136 PolarHBondContact O-N 3.31Å; Q133-Q136 PolarHBondContact O-N 3.42Å; Q136-S139 WeakPolarHBondContact CA-OG 3.28Å; Q136-S139 PolarHBondContact O-N 2.87Å; Q136-S139 PolarHBondContact O-OG 3.48Å; Q136-A140 WeakPolarHBondContact O-CB 3.44Å; Q136-A140 PolarHBondContact O-N 3.28Å
137C67.7Low70.5Confident69 Ų6974.3 Ų74.347%0.46640%0.404SS..Hα-helixtrans-60.9-48175.2-70.20000111.5Q133 I134 S139 A140 C141Q133-C137 WeakPolarHBondContact O-CB 3.49Å; Q133-C137 PolarHBondContact O-N 2.91Å; Q133-C137 PolarHBondContact O-SG 3.15Å; Q133-C137 VanDerWaalsContact O-SG 3.35Å; I134-C137 PolarHBondContact O-N 3.47Å; C137-S139 PolarHBondContact O-N 3.36Å; C137-A140 PolarHBondContact O-N 3.05Å; C137-C141 WeakPolarHBondContact O-CB 3.5Å; C137-C141 PolarHBondContact O-N 3.33Å; C137-C141 PolarHBondContact O-SG 3.48Å
138K71.7Confident69.5Low140 Ų14081.4 Ų81.461%0.60944%0.441SS*.Hα-helixtrans-61.8-42.2177.7-81-166.7171.1-171.70112.5I134 I135 T142I134-K138 WeakPolarHBondContact O-CB 3.36Å; I134-K138 WeakPolarHBondContact O-CG 3.39Å; I134-K138 PolarHBondContact O-N 3.1Å; I135-K138 PolarHBondContact O-N 3.43Å; K138-T142 WeakPolarHBondContact O-CB 3.45Å; K138-T142 PolarHBondContact O-N 3.49Å; K138-T142 PolarHBondContact O-OG1 3.4Å
139S72.8Confident68.3Low56 Ų5680.2 Ų80.239%0.39245%0.449SS..Hα-helixtrans-68.5-42.517864.90000111.6I135 Q136 C137 T142 V143I135-S139 WeakPolarHBondContact O-CB 3.37Å; I135-S139 PolarHBondContact O-N 3Å; I135-S139 PolarHBondContact O-OG 3.16Å; Q136-S139 WeakPolarHBondContact CA-OG 3.28Å; Q136-S139 PolarHBondContact O-N 2.87Å; Q136-S139 PolarHBondContact O-OG 3.48Å; C137-S139 PolarHBondContact O-N 3.36Å; S139-T142 CarbonylContact O-C 3.48Å; S139-T142 WeakPolarHBondContact O-CA 3.44Å; S139-T142 WeakPolarHBondContact O-CB 3.48Å; S139-T142 PolarHBondContact O-N 2.98Å; S139-T142 VanDerWaalsContact O-N 3.11Å; S139-V143 WeakPolarHBondContact O-CG2 3.3Å; S139-V143 PolarHBondContact O-N 2.85Å
140A72.3Confident67.4Low43 Ų4386.2 Ų86.236%0.35548%0.484SS..Hα-helixtrans-61.9-45.7173.700000111.1Q136 C137 T142 V143 L144Q136-A140 WeakPolarHBondContact O-CB 3.44Å; Q136-A140 PolarHBondContact O-N 3.28Å; C137-A140 PolarHBondContact O-N 3.05Å; A140-T142 VanDerWaalsContact C-N 3.26Å; A140-T142 PolarHBondContact O-N 3.3Å; A140-V143 PolarHBondContact O-N 3.05Å; A140-L144 VanDerWaalsContact O-CB 3.23Å; A140-L144 WeakPolarHBondContact O-CB 3.4Å; A140-L144 WeakPolarHBondContact O-CG 3.48Å; A140-L144 PolarHBondContact O-N 2.99Å
141C62.7Low66.2Low79 Ų7984.9 Ų84.953%0.53448%0.478SS..Hα-helixtrans-56.6-42.5171.8-710000110.9C137 R145C137-C141 WeakPolarHBondContact O-CB 3.5Å; C137-C141 PolarHBondContact O-N 3.33Å; C137-C141 PolarHBondContact O-SG 3.48Å; C141-R145 WeakPolarHBondContact O-CA 3.38Å; C141-R145 WeakPolarHBondContact O-CB 3.45Å; C141-R145 PolarHBondContact O-N 3.48Å
142T67.1Low65.3Low93 Ų9387.8 Ų87.857%0.57150%0.496SS*.Hα-helixtrans-65.6-39.7178.2-550000112.6K138 S139 A140 P146K138-T142 WeakPolarHBondContact O-CB 3.45Å; K138-T142 PolarHBondContact O-N 3.49Å; K138-T142 PolarHBondContact O-OG1 3.4Å; S139-T142 CarbonylContact O-C 3.48Å; S139-T142 WeakPolarHBondContact O-CA 3.44Å; S139-T142 WeakPolarHBondContact O-CB 3.48Å; S139-T142 PolarHBondContact O-N 2.98Å; S139-T142 VanDerWaalsContact O-N 3.11Å; A140-T142 VanDerWaalsContact C-N 3.26Å; A140-T142 PolarHBondContact O-N 3.3Å; T142-P146 WeakPolarHBondContact O-CD 3.31Å
143V68.8Low64.7Low108 Ų10887.6 Ų87.666%0.65550%0.495SS*.Hα-helixtrans-76.6-37.5-179.4170.90000112.3S139 A140 P146S139-V143 WeakPolarHBondContact O-CG2 3.3Å; S139-V143 PolarHBondContact O-N 2.85Å; A140-V143 PolarHBondContact O-N 3.05Å; V143-P146 WeakPolarHBondContact O-CD 3.4Å
144L64.8Low64.9Low89 Ų8982.9 Ų82.947%0.46648%0.482SS..Hα-helixtrans-81.3-20.1179.7-63.7174.1000112A140 L147 L148A140-L144 VanDerWaalsContact O-CB 3.23Å; A140-L144 WeakPolarHBondContact O-CB 3.4Å; A140-L144 WeakPolarHBondContact O-CG 3.48Å; A140-L144 PolarHBondContact O-N 2.99Å; L144-L147 HydrophobicContact CD2-CD1 4.14Å; L144-L147 VanDerWaalsContact O-CB 3.31Å; L144-L147 WeakPolarHBondContact O-CB 3.32Å; L144-L147 PolarHBondContact O-N 2.97Å; L144-L148 PolarHBondContact O-N 3.1Å
145R56.6Low64.9Low80 Ų8080.3 Ų80.330%0.30247%0.473SS..Hα-helixtrans-52.3-47.2-179.3170.1176.5-178.2166.15.6114.1C141 L147 L148 G149 P151C141-R145 WeakPolarHBondContact O-CA 3.38Å; C141-R145 WeakPolarHBondContact O-CB 3.45Å; C141-R145 PolarHBondContact O-N 3.48Å; R145-L147 PolarHBondContact O-N 2.93Å; R145-L147 VanDerWaalsContact O-N 3.12Å; R145-L148 PolarHBondContact O-N 3.48Å; R145-G149 PolarHBondContact O-N 3.15Å; R145-P151 HydrophobicContact CG-CG 3.76Å; R145-P151 VanDerWaalsContact NE-CD 3.27Å
146P56.2Low64.7Low93 Ų9380.8 Ų80.860%0.60448%0.476SS*.Hα-helixtrans-60.3-22.4176.1-23.934.7000114.7T142 V143T142-P146 WeakPolarHBondContact O-CD 3.31Å; V143-P146 WeakPolarHBondContact O-CD 3.4Å
147L57.9Low64.9Low142 Ų14275.7 Ų75.774%0.74345%0.454SS*.Hα-helixtrans-82.4-20178.3-56.7175000112.7L144 R145L144-L147 HydrophobicContact CD2-CD1 4.14Å; L144-L147 VanDerWaalsContact O-CB 3.31Å; L144-L147 WeakPolarHBondContact O-CB 3.32Å; L144-L147 PolarHBondContact O-N 2.97Å; R145-L147 PolarHBondContact O-N 2.93Å; R145-L147 VanDerWaalsContact O-N 3.12Å
148L55Low65.6Low156 Ų15675.2 Ų75.282%0.81745%0.445SS*.Hα-helixtrans-94.5-2.1178.8-63.6170.6000112.7L144 R145L144-L148 PolarHBondContact O-N 3.1Å; R145-L148 PolarHBondContact O-N 3.48Å
149G53.5Low66.1Low40 Ų4072.4 Ų72.441%0.41244%0.439SS..  trans106.3160-173.300000111.7R145 P151R145-G149 PolarHBondContact O-N 3.15Å; G149-P151 WeakPolarHBondContact O-CD 3.46Å
150V52.9Low66.5Low135 Ų13572.7 Ų72.782%0.81843%0.434SS*.  trans-78.9114.3176.9179.70000108.2T152V150-T152 PolarHBondContact O-N 2.88Å
151P55.2Low67.2Low23 Ų2370.6 Ų70.615%0.14942%0.417CS..  trans-64.3130.5177.3-2842.3000109.9R145 G149 V153 E158R145-P151 HydrophobicContact CG-CG 3.76Å; R145-P151 VanDerWaalsContact NE-CD 3.27Å; G149-P151 WeakPolarHBondContact O-CD 3.46Å; P151-V153 WeakPolarHBondContact CB-O 3.41Å; P151-V153 PolarHBondContact O-N 3.14Å; P151-E158 VanDerWaalsContact CB-OE1 3.3Å; P151-E158 WeakPolarHBondContact CB-OE1 3.36Å
152T61.3Low68.3Low65 Ų6571.7 Ų71.740%0.39941%0.414SS..SBendtrans-66-28173.550.70000110.8V150 L208 V245V150-T152 PolarHBondContact O-N 2.88Å; T152-L208 WeakPolarHBondContact OG1-CD1 3.48Å; T152-V245 VanDerWaalsContact O-CG2 3.25Å; T152-V245 WeakPolarHBondContact O-CG2 3.29Å
153V64.8Low69.1Low10 Ų1071.5 Ų71.56%0.06141%0.408CS..SBendtrans-138.1138.8-177.9-162.50000107.5P151 A157 P201 A204 A205 L208 V245P151-V153 WeakPolarHBondContact CB-O 3.41Å; P151-V153 PolarHBondContact O-N 3.14Å; V153-A157 HydrophobicContact CG1-CB 3.89Å; V153-P201 HydrophobicContact CG1-CB 3.43Å; V153-P201 VanDerWaalsContact CG1-CB 3.43Å; V153-P201 WeakPolarHBondContact CG1-O 3.44Å; V153-A204 HydrophobicContact CG2-CB 3.84Å; V153-A205 HydrophobicContact CB-CB 4.12Å; V153-A205 HydrophobicContact CG1-CB 4.34Å; V153-L208 HydrophobicContact CG2-CD1 4.24Å; V153-V245 HydrophobicContact CG2-CG1 3.65Å; V153-V245 HydrophobicContact CG2-CG2 4.29Å
154G74.4Confident70Confident34 Ų3467.1 Ų67.135%0.35138%0.381SS..  trans-48150.5-166.700000116.1D156 A157 E158G154-D156 PolarHBondContact O-N 2.83Å; G154-D156 VanDerWaalsContact O-N 3.1Å; G154-A157 WeakPolarHBondContact O-CA 3.48Å; G154-A157 VanDerWaalsContact O-CB 3.3Å; G154-A157 WeakPolarHBondContact O-CB 3.46Å; G154-A157 PolarHBondContact O-N 3.15Å; G154-E158 PolarHBondContact O-N 3.22Å
155A72.4Confident71Confident29 Ų2963.1 Ų63.124%0.2436%0.36CS..Hα-helixtrans-55.5-33-176.800000114.6E158 V159A155-E158 PolarHBondContact O-N 3.36Å; A155-V159 WeakPolarHBondContact O-CG2 3.36Å; A155-V159 PolarHBondContact O-N 3.07Å
156D73.8Confident72.4Confident97 Ų9765.9 Ų65.952%0.51938%0.376SS..Hα-helixtrans-65-40.6173.5-173.154.7000111.8G154 Q160G154-D156 PolarHBondContact O-N 2.83Å; G154-D156 VanDerWaalsContact O-N 3.1Å; D156-Q160 WeakPolarHBondContact O-CB 3.31Å; D156-Q160 WeakPolarHBondContact O-CG 3.22Å; D156-Q160 PolarHBondContact O-N 3.47Å; D156-Q160 PolarHBondContact OD1-NE2 3.4Å; D156-Q160 VanDerWaalsContact OD1-NE2 3.13Å; D156-Q160 PolarHBondContact OD2-NE2 3.4Å
157A81.9Confident73.8Confident9 Ų968.5 Ų68.57%0.07437%0.374CS..Hα-helixtrans-69.6-32.9176.800000112.3V153 G154 G161 P201 V202 A205V153-A157 HydrophobicContact CG1-CB 3.89Å; G154-A157 WeakPolarHBondContact O-CA 3.48Å; G154-A157 VanDerWaalsContact O-CB 3.3Å; G154-A157 WeakPolarHBondContact O-CB 3.46Å; G154-A157 PolarHBondContact O-N 3.15Å; A157-G161 WeakPolarHBondContact O-CA 3.3Å; A157-G161 PolarHBondContact O-N 3.19Å; A157-P201 HydrophobicContact CB-CB 3.69Å; A157-V202 HydrophobicContact CB-CG2 4.29Å; A157-A205 HydrophobicContact CB-CB 4.24Å; A157-A205 VanDerWaalsContact O-CB 3.24Å; A157-A205 WeakPolarHBondContact O-CB 3.38Å
158E82.3Confident75.1Confident58 Ų5861.8 Ų61.827%0.27134%0.339SS..Hα-helixtrans-62.9-52.2172.8-70.9179.2151.800111.7P151 G154 A155 Q160 G161 E162 A205P151-E158 VanDerWaalsContact CB-OE1 3.3Å; P151-E158 WeakPolarHBondContact CB-OE1 3.36Å; G154-E158 PolarHBondContact O-N 3.22Å; A155-E158 PolarHBondContact O-N 3.36Å; E158-Q160 VanDerWaalsContact C-N 3.33Å; E158-Q160 PolarHBondContact O-N 3.37Å; E158-G161 WeakPolarHBondContact O-CA 3.18Å; E158-G161 PolarHBondContact O-N 3.3Å; E158-G161 VanDerWaalsContact O-N 3.09Å; E158-E162 WeakPolarHBondContact O-CG 3.35Å; E158-E162 PolarHBondContact O-N 3.01Å; E158-A205 HydrophobicContact CG-CB 4.19Å
159V82.3Confident76.6Confident81 Ų8154.8 Ų54.849%0.49131%0.305SS..Hα-helixtrans-60.5-45.3177.9175.60000110.9A155 G161 E162 M163A155-V159 WeakPolarHBondContact O-CG2 3.36Å; A155-V159 PolarHBondContact O-N 3.07Å; V159-G161 VanDerWaalsContact C-N 3.28Å; V159-G161 PolarHBondContact O-N 3.33Å; V159-E162 PolarHBondContact O-N 2.98Å; V159-M163 HydrophobicContact CG1-SD 4.32Å; V159-M163 WeakPolarHBondContact O-CG 3.44Å; V159-M163 PolarHBondContact O-N 3.34Å
160Q81.1Confident78Confident62 Ų6255.2 Ų55.229%0.2930%0.302SS..Hα-helixtrans-64-35.4176.6-71.7170.812.100112D156 E158 M163 L164 V202D156-Q160 WeakPolarHBondContact O-CB 3.31Å; D156-Q160 WeakPolarHBondContact O-CG 3.22Å; D156-Q160 PolarHBondContact O-N 3.47Å; D156-Q160 PolarHBondContact OD1-NE2 3.4Å; D156-Q160 VanDerWaalsContact OD1-NE2 3.13Å; D156-Q160 PolarHBondContact OD2-NE2 3.4Å; E158-Q160 VanDerWaalsContact C-N 3.33Å; E158-Q160 PolarHBondContact O-N 3.37Å; Q160-M163 PolarHBondContact O-N 3.49Å; Q160-L164 VanDerWaalsContact O-CB 3.29Å; Q160-L164 WeakPolarHBondContact O-CB 3.28Å; Q160-L164 PolarHBondContact O-N 3.36Å; Q160-V202 HydrophobicContact CB-CG1 3.92Å; Q160-V202 HydrophobicContact CB-CG2 3.84Å
161G86.4Confident79.3Confident0 Ų049.9 Ų49.90%027%0.271CS..Hα-helixtrans-67.5-39.9176.400000112.5A157 E158 V159 L164 M165A157-G161 WeakPolarHBondContact O-CA 3.3Å; A157-G161 PolarHBondContact O-N 3.19Å; E158-G161 WeakPolarHBondContact O-CA 3.18Å; E158-G161 PolarHBondContact O-N 3.3Å; E158-G161 VanDerWaalsContact O-N 3.09Å; V159-G161 VanDerWaalsContact C-N 3.28Å; V159-G161 PolarHBondContact O-N 3.33Å; G161-L164 PolarHBondContact O-N 2.85Å; G161-M165 WeakPolarHBondContact O-CG 3.44Å; G161-M165 PolarHBondContact O-N 3.44Å
162E85.2Confident80.7Confident101 Ų10151.3 Ų51.347%0.47228%0.277SS..Hα-helixtrans-63.6-48.2172.2-71.5-177.7174.900111.4E158 V159 L164 M165 E166 T209E158-E162 WeakPolarHBondContact O-CG 3.35Å; E158-E162 PolarHBondContact O-N 3.01Å; V159-E162 PolarHBondContact O-N 2.98Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 2.78Å; E162-M165 PolarHBondContact O-N 3.45Å; E162-M165 VanDerWaalsContact O-N 3.12Å; E162-E166 PolarHBondContact O-N 3.24Å; E162-T209 HydrophobicContact CG-CG2 3.89Å
163M83.9Confident81.6Confident90 Ų9052.7 Ų52.744%0.44329%0.29SS..Hα-helixtrans-59.4-41.1176.5-71.4-178.969.100111.7V159 Q160 E166 R167V159-M163 HydrophobicContact CG1-SD 4.32Å; V159-M163 WeakPolarHBondContact O-CG 3.44Å; V159-M163 PolarHBondContact O-N 3.34Å; Q160-M163 PolarHBondContact O-N 3.49Å; M163-E166 PolarHBondContact O-N 2.61Å; M163-R167 WeakPolarHBondContact O-CB 3.17Å; M163-R167 WeakPolarHBondContact O-CG 3.4Å; M163-R167 PolarHBondContact O-N 2.88Å
164L87.3Confident81.8Confident15 Ų1560 Ų608%0.07932%0.323CS..Hα-helixtrans-59.8-46.6175.217967.7000110.8Q160 G161 E162 R167 L168 F184 L185 V202 A206Q160-L164 VanDerWaalsContact O-CB 3.29Å; Q160-L164 WeakPolarHBondContact O-CB 3.28Å; Q160-L164 PolarHBondContact O-N 3.36Å; G161-L164 PolarHBondContact O-N 2.85Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 2.78Å; L164-R167 PolarHBondContact O-N 2.95Å; L164-L168 VanDerWaalsContact O-CB 3.23Å; L164-L168 WeakPolarHBondContact O-CB 3.24Å; L164-L168 PolarHBondContact O-N 3.43Å; L164-F184 HydrophobicContact CD1-CE1 3.77Å; L164-F184 HydrophobicContact CD1-CZ 3.99Å; L164-L185 HydrophobicContact CD1-CD2 4.02Å; L164-V202 HydrophobicContact CD2-CG1 4.23Å; L164-A206 HydrophobicContact CD2-CB 4.23Å
165M87.5Confident81Confident5 Ų559.9 Ų59.93%0.02532%0.317CS..Hα-helixtrans-65.8-40.4179.3-74.3-69146.900112.6G161 E162 L168 G169 A206 Q220 L223G161-M165 WeakPolarHBondContact O-CG 3.44Å; G161-M165 PolarHBondContact O-N 3.44Å; E162-M165 PolarHBondContact O-N 3.45Å; E162-M165 VanDerWaalsContact O-N 3.12Å; M165-L168 PolarHBondContact O-N 3.25Å; M165-G169 PolarHBondContact O-N 3.33Å; M165-A206 HydrophobicContact CE-CB 3.47Å; M165-A206 VanDerWaalsContact CE-CB 3.47Å; M165-A206 HydrophobicContact CG-CB 3.92Å; M165-Q220 HydrophobicContact CE-CG 4.42Å; M165-Q220 HydrophobicContact SD-CG 4.03Å; M165-L223 HydrophobicContact CE-CB 4.13Å; M165-L223 HydrophobicContact CE-CD2 3.26Å; M165-L223 HydrophobicContact CE-CG 4.31Å
166E85.1Confident80.5Confident139 Ų13964.9 Ų64.965%0.6535%0.351SS*.Hα-helixtrans-63.6-44.4176.2-173.1-173.6-179.800111.6E162 M163 G169 S170E162-E166 PolarHBondContact O-N 3.24Å; M163-E166 PolarHBondContact O-N 2.61Å; E166-G169 PolarHBondContact O-N 3.01Å; E166-S170 WeakPolarHBondContact O-CB 3.32Å; E166-S170 PolarHBondContact O-N 3.25Å; E166-S170 PolarHBondContact O-OG 3.48Å
167R84.6Confident80.4Confident148 Ų14864 Ų6456%0.55835%0.346SS*.Hα-helixtrans-65.8-42.9177.1-69.3-119.8-178.4162.21.6111.8M163 L164 S170 A171 F184M163-R167 WeakPolarHBondContact O-CB 3.17Å; M163-R167 WeakPolarHBondContact O-CG 3.4Å; M163-R167 PolarHBondContact O-N 2.88Å; L164-R167 PolarHBondContact O-N 2.95Å; R167-S170 WeakPolarHBondContact O-CB 3.45Å; R167-S170 PolarHBondContact O-N 2.79Å; R167-A171 PolarHBondContact O-N 2.77Å; R167-F184 HydrophobicContact CB-CE1 4.1Å; R167-F184 HydrophobicContact CB-CE2 4.41Å; R167-F184 HydrophobicContact CB-CZ 3.71Å; R167-F184 HydrophobicContact CG-CZ 4.5Å
168L86.4Confident80.1Confident0 Ų067.1 Ų67.10%037%0.365CS..Hα-helixtrans-64.3-44.8177.1-171.464.9000111L164 M165 S170 A171 L172 A181 F184 L185 S219 F222 L223L164-L168 VanDerWaalsContact O-CB 3.23Å; L164-L168 WeakPolarHBondContact O-CB 3.24Å; L164-L168 PolarHBondContact O-N 3.43Å; M165-L168 PolarHBondContact O-N 3.25Å; L168-S170 VanDerWaalsContact C-N 3.3Å; L168-S170 PolarHBondContact O-N 2.8Å; L168-A171 PolarHBondContact O-N 2.81Å; L168-L172 HydrophobicContact CG-CD1 4.21Å; L168-L172 WeakPolarHBondContact O-CG 3.27Å; L168-L172 PolarHBondContact O-N 3.06Å; L168-A181 HydrophobicContact CD1-CB 3.89Å; L168-F184 HydrophobicContact CD1-CD1 4.33Å; L168-L185 HydrophobicContact CD1-CD1 4.32Å; L168-L185 HydrophobicContact CD1-CD2 4.46Å; L168-L185 HydrophobicContact CD1-CG 4.26Å; L168-S219 VanDerWaalsContact CD2-O 3.31Å; L168-S219 WeakPolarHBondContact CD2-O 3.18Å; L168-F222 HydrophobicContact CD1-CD1 3.84Å; L168-F222 HydrophobicContact CD1-CE1 4.03Å; L168-F222 HydrophobicContact CD2-CD1 4.15Å; L168-F222 HydrophobicContact CG-CD1 4.38Å; L168-L223 HydrophobicContact CD2-CB 4.22Å
169G85.5Confident80Confident10 Ų1069 Ų6910%0.10338%0.376CS..Hα-helixtrans-61.2-38.817500000112.3M165 E166 L172 S173 S219M165-G169 PolarHBondContact O-N 3.33Å; E166-G169 PolarHBondContact O-N 3.01Å; G169-L172 PolarHBondContact O-N 3.34Å; G169-S173 VanDerWaalsContact O-CB 3.28Å; G169-S173 WeakPolarHBondContact O-CB 3.24Å; G169-S173 PolarHBondContact O-N 3.22Å; G169-S173 PolarHBondContact O-OG 3.17Å; G169-S219 WeakPolarHBondContact CA-OG 3.33Å; G169-S219 PolarHBondContact N-OG 2.96Å
170S82.8Confident79.8Confident49 Ų4973.3 Ų73.334%0.34338%0.384SS..Hα-helixtrans-64.1-43.1174-62.20000112E166 R167 L168 S173 Q174E166-S170 WeakPolarHBondContact O-CB 3.32Å; E166-S170 PolarHBondContact O-N 3.25Å; E166-S170 PolarHBondContact O-OG 3.48Å; R167-S170 WeakPolarHBondContact O-CB 3.45Å; R167-S170 PolarHBondContact O-N 2.79Å; L168-S170 VanDerWaalsContact C-N 3.3Å; L168-S170 PolarHBondContact O-N 2.8Å; S170-S173 PolarHBondContact O-N 3.48Å; S170-Q174 WeakPolarHBondContact O-CB 3.34Å; S170-Q174 WeakPolarHBondContact O-CG 3.41Å; S170-Q174 PolarHBondContact O-N 2.82Å
171A81.8Confident79.9Confident22 Ų2270.4 Ų70.418%0.18237%0.371CS..Hα-helixtrans-63.6-43.3177.400000111.9R167 L168 S173 S175 A181R167-A171 PolarHBondContact O-N 2.77Å; L168-A171 PolarHBondContact O-N 2.81Å; A171-S173 VanDerWaalsContact C-N 3.34Å; A171-S175 PolarHBondContact O-N 2.9Å; A171-S175 PolarHBondContact O-OG 3.45Å; A171-A181 HydrophobicContact CB-CB 4.38Å
172L82.9Confident79.8Confident53 Ų5373.5 Ų73.528%0.27739%0.385SS..Hα-helixtrans-68.3-31.5177-67.7171.2000112.8L168 G169 A181 F222L168-L172 HydrophobicContact CG-CD1 4.21Å; L168-L172 WeakPolarHBondContact O-CG 3.27Å; L168-L172 PolarHBondContact O-N 3.06Å; G169-L172 PolarHBondContact O-N 3.34Å; L172-A181 HydrophobicContact CD2-CB 3.85Å; L172-A181 HydrophobicContact CG-CB 4.3Å; L172-F222 HydrophobicContact CD1-CB 4.03Å; L172-F222 HydrophobicContact CD1-CG 4.31Å; L172-F222 HydrophobicContact CD2-CD2 3.93Å; L172-F222 HydrophobicContact CD2-CE2 4.26Å; L172-F222 HydrophobicContact CD2-CG 4.19Å
173S80.3Confident79.7Confident95 Ų9573.8 Ų73.866%0.66439%0.39SS*.Hα-helixtrans-81.3-29.5-179.5-57.50000113.3G169 S170 A171G169-S173 VanDerWaalsContact O-CB 3.28Å; G169-S173 WeakPolarHBondContact O-CB 3.24Å; G169-S173 PolarHBondContact O-N 3.22Å; G169-S173 PolarHBondContact O-OG 3.17Å; S170-S173 PolarHBondContact O-N 3.48Å; A171-S173 VanDerWaalsContact C-N 3.34Å
174Q69.5Low79.7Confident163 Ų16371.8 Ų71.876%0.76238%0.379SS*.Hα-helixtrans-87.4-18.5-174.9-71.7176.516.700113.8S170S170-Q174 WeakPolarHBondContact O-CB 3.34Å; S170-Q174 WeakPolarHBondContact O-CG 3.41Å; S170-Q174 PolarHBondContact O-N 2.82Å
175S58.4Low79.5Confident32 Ų3271.3 Ų71.322%0.22438%0.376CS..  trans-140.2135.2178.256.30000111.6A171 D177A171-S175 PolarHBondContact O-N 2.9Å; A171-S175 PolarHBondContact O-OG 3.45Å; S175-D177 PolarHBondContact O-N 2.87Å; S175-D177 VanDerWaalsContact O-N 3.09Å
176S61.6Low79.2Confident134 Ų13472 Ų7294%0.93738%0.382SS*.SBendtrans-66.9-2.5169.4-177.70000113.2P178S176-P178 WeakPolarHBondContact O-CD 3.49Å
177D71.6Confident78.9Confident78 Ų7867.7 Ų67.742%0.41737%0.367SS..  trans-99.6111.3-174.4-169.8-3.2000110.8S175 L179 R180S175-D177 PolarHBondContact O-N 2.87Å; S175-D177 VanDerWaalsContact O-N 3.09Å; D177-L179 PolarHBondContact O-N 3.47Å; D177-L179 VanDerWaalsContact OD1-CB 3.3Å; D177-L179 WeakPolarHBondContact OD1-CB 3.29Å; D177-L179 WeakPolarHBondContact OD1-CD1 3.32Å; D177-L179 VanDerWaalsContact OD1-CG 3.26Å; D177-L179 WeakPolarHBondContact OD1-CG 3.38Å; D177-L179 PolarHBondContact OD1-N 3.44Å; D177-L179 VanDerWaalsContact OD1-N 3.08Å; D177-R180 PolarHBondContact O-N 3.35Å
178P75.8Confident78.5Confident74 Ų7461.6 Ų61.648%0.48135%0.346SS..THydrogen-bonded Turntrans-65.1-17.8178.827.8-35.1000113.2S176 R180 A181 E182 F222S176-P178 WeakPolarHBondContact O-CD 3.49Å; P178-R180 VanDerWaalsContact C-N 3.26Å; P178-R180 PolarHBondContact O-N 3.36Å; P178-A181 PolarHBondContact O-N 2.88Å; P178-E182 PolarHBondContact O-N 2.93Å; P178-E182 VanDerWaalsContact O-N 3.16Å; P178-F222 HydrophobicContact CB-CE2 4Å
179L78.9Confident77.8Confident97 Ų9763 Ų6351%0.50835%0.353SS..Hα-helixtrans-61.1-34.2-179.4-66.7171000112.2D177 A181 E182 D183D177-L179 PolarHBondContact O-N 3.47Å; D177-L179 VanDerWaalsContact OD1-CB 3.3Å; D177-L179 WeakPolarHBondContact OD1-CB 3.29Å; D177-L179 WeakPolarHBondContact OD1-CD1 3.32Å; D177-L179 VanDerWaalsContact OD1-CG 3.26Å; D177-L179 WeakPolarHBondContact OD1-CG 3.38Å; D177-L179 PolarHBondContact OD1-N 3.44Å; D177-L179 VanDerWaalsContact OD1-N 3.08Å; L179-A181 PolarHBondContact O-N 3.17Å; L179-E182 PolarHBondContact O-N 2.93Å; L179-D183 WeakPolarHBondContact O-CB 3.23Å; L179-D183 VanDerWaalsContact O-CG 3.28Å; L179-D183 PolarHBondContact O-N 2.85Å
180R78.8Confident77Confident172 Ų17269 Ų6965%0.64938%0.379SS*.Hα-helixtrans-67-37178-79.3-164.5155.5-145.4-6.7113.7D177 P178 E182 F184D177-R180 PolarHBondContact O-N 3.35Å; P178-R180 VanDerWaalsContact C-N 3.26Å; P178-R180 PolarHBondContact O-N 3.36Å; R180-E182 VanDerWaalsContact C-N 3.33Å; R180-F184 WeakPolarHBondContact O-CB 3.31Å; R180-F184 PolarHBondContact O-N 3.16Å
181A83.4Confident76Confident1 Ų173.8 Ų73.81%0.00840%0.396CS..Hα-helixtrans-70.4-35.8176.300000110.6L168 A171 L172 P178 L179 L185 F222L168-A181 HydrophobicContact CD1-CB 3.89Å; A171-A181 HydrophobicContact CB-CB 4.38Å; L172-A181 HydrophobicContact CD2-CB 3.85Å; L172-A181 HydrophobicContact CG-CB 4.3Å; P178-A181 PolarHBondContact O-N 2.88Å; L179-A181 PolarHBondContact O-N 3.17Å; A181-L185 WeakPolarHBondContact O-CG 3.45Å; A181-L185 PolarHBondContact O-N 3.43Å; A181-F222 HydrophobicContact CB-CD1 4.28Å; A181-F222 HydrophobicContact CB-CE1 3.55Å; A181-F222 HydrophobicContact CB-CE2 4.12Å; A181-F222 HydrophobicContact CB-CZ 3.46Å; A181-F222 VanDerWaalsContact CB-CZ 3.46Å
182E84.6Confident74.9Confident66 Ų6675.8 Ų75.831%0.30840%0.4SS..Hα-helixtrans-68.1-42.3173.3-178.5167.2-16700112.7P178 L179 R180 F184 L185 S186 F222 R230P178-E182 PolarHBondContact O-N 2.93Å; P178-E182 VanDerWaalsContact O-N 3.16Å; L179-E182 PolarHBondContact O-N 2.93Å; R180-E182 VanDerWaalsContact C-N 3.33Å; E182-F184 VanDerWaalsContact C-N 3.3Å; E182-F184 PolarHBondContact O-N 3.4Å; E182-L185 PolarHBondContact O-N 3.31Å; E182-S186 WeakPolarHBondContact O-CB 3.32Å; E182-S186 PolarHBondContact O-N 3.26Å; E182-S186 PolarHBondContact O-OG 3.24Å; E182-F222 HydrophobicContact CB-CZ 4.39Å; E182-R230 IonicContact OE1-NH2 3.13Å; E182-R230 PolarHBondContact OE1-NH2 2.5Å
183D82.3Confident73.4Confident106 Ų10680.3 Ų80.357%0.56742%0.42SS*.Hα-helixtrans-60.3-42.2175.2-74.7-22.4000110.9L179 S186 S187L179-D183 WeakPolarHBondContact O-CB 3.23Å; L179-D183 VanDerWaalsContact O-CG 3.28Å; L179-D183 PolarHBondContact O-N 2.85Å; D183-S186 WeakPolarHBondContact O-CB 3.33Å; D183-S186 PolarHBondContact O-N 3.49Å; D183-S187 PolarHBondContact O-N 3.43Å; D183-S187 PolarHBondContact O-OG 3.46Å
184F83.9Confident71.8Confident48 Ų4882.8 Ų82.821%0.21143%0.431CS..Hα-helixtrans-61.1-48.5174.5167.3-110000112.4L164 R167 L168 R180 E182 S186 S187 V188L164-F184 HydrophobicContact CD1-CE1 3.77Å; L164-F184 HydrophobicContact CD1-CZ 3.99Å; R167-F184 HydrophobicContact CB-CE1 4.1Å; R167-F184 HydrophobicContact CB-CE2 4.41Å; R167-F184 HydrophobicContact CB-CZ 3.71Å; R167-F184 HydrophobicContact CG-CZ 4.5Å; L168-F184 HydrophobicContact CD1-CD1 4.33Å; R180-F184 WeakPolarHBondContact O-CB 3.31Å; R180-F184 PolarHBondContact O-N 3.16Å; E182-F184 VanDerWaalsContact C-N 3.3Å; E182-F184 PolarHBondContact O-N 3.4Å; F184-S186 PolarHBondContact O-N 3.28Å; F184-S187 PolarHBondContact O-N 3.18Å; F184-S187 PolarHBondContact O-OG 3.09Å; F184-V188 HydrophobicContact CD2-CG2 4.22Å; F184-V188 HydrophobicContact CE1-CG2 4.46Å; F184-V188 HydrophobicContact CE2-CG2 3.76Å; F184-V188 HydrophobicContact CZ-CG2 3.9Å; F184-V188 VanDerWaalsContact O-CG2 3.28Å; F184-V188 WeakPolarHBondContact O-CG2 3.46Å; F184-V188 PolarHBondContact O-N 3.18Å
185L84.4Confident71Confident5 Ų576.7 Ų76.73%0.02641%0.409CS..Hα-helixtrans-64.5-32176.7-69.3178.4000111.9L164 L168 A181 E182 L189 F222 L223 W226L164-L185 HydrophobicContact CD1-CD2 4.02Å; L168-L185 HydrophobicContact CD1-CD1 4.32Å; L168-L185 HydrophobicContact CD1-CD2 4.46Å; L168-L185 HydrophobicContact CD1-CG 4.26Å; A181-L185 WeakPolarHBondContact O-CG 3.45Å; A181-L185 PolarHBondContact O-N 3.43Å; E182-L185 PolarHBondContact O-N 3.31Å; L185-L189 WeakPolarHBondContact O-CG 3.21Å; L185-L189 PolarHBondContact O-N 3.13Å; L185-F222 HydrophobicContact CD1-CD1 4.14Å; L185-F222 HydrophobicContact CD1-CE1 3.77Å; L185-L223 HydrophobicContact CD1-CD1 3.96Å; L185-L223 HydrophobicContact CD2-CD1 4.19Å; L185-W226 HydrophobicContact CB-CD2 4.29Å; L185-W226 HydrophobicContact CB-CH2 4.38Å; L185-W226 HydrophobicContact CB-CZ2 3.7Å; L185-W226 HydrophobicContact CD1-CB 4.1Å; L185-W226 HydrophobicContact CD1-CD2 3.67Å; L185-W226 HydrophobicContact CD1-CE3 4.14Å; L185-W226 HydrophobicContact CD1-CG 3.64Å
186S81.3Confident70.9Confident20 Ų2077 Ų7714%0.1441%0.413CS..Hα-helixtrans-69.9-40.1176-57.20000112.3E182 D183 F184 L189 Q190 R230E182-S186 WeakPolarHBondContact O-CB 3.32Å; E182-S186 PolarHBondContact O-N 3.26Å; E182-S186 PolarHBondContact O-OG 3.24Å; D183-S186 WeakPolarHBondContact O-CB 3.33Å; D183-S186 PolarHBondContact O-N 3.49Å; F184-S186 PolarHBondContact O-N 3.28Å; S186-L189 PolarHBondContact O-N 3.32Å; S186-Q190 WeakPolarHBondContact O-CG 3.42Å; S186-Q190 PolarHBondContact O-N 3.39Å; S186-R230 PolarHBondContact OG-NH1 3.36Å; S186-R230 PolarHBondContact OG-NH2 2.83Å
187S78Confident71.1Confident48 Ų4878 Ų7834%0.33640%0.403SS..Hα-helixtrans-66.9-40.4175.565.50000111.2D183 F184 Q190 E191D183-S187 PolarHBondContact O-N 3.43Å; D183-S187 PolarHBondContact O-OG 3.46Å; F184-S187 PolarHBondContact O-N 3.18Å; F184-S187 PolarHBondContact O-OG 3.09Å; S187-Q190 PolarHBondContact O-N 3.46Å; S187-E191 WeakPolarHBondContact O-CG 3.5Å; S187-E191 PolarHBondContact O-N 3.39Å
188V75.6Confident71.1Confident21 Ų2180 Ų8013%0.12741%0.409CS..Hα-helixtrans-57.5-51.1172.21700000109.5F184 Q190 E191 F192 L199F184-V188 HydrophobicContact CD2-CG2 4.22Å; F184-V188 HydrophobicContact CE1-CG2 4.46Å; F184-V188 HydrophobicContact CE2-CG2 3.76Å; F184-V188 HydrophobicContact CZ-CG2 3.9Å; F184-V188 VanDerWaalsContact O-CG2 3.28Å; F184-V188 WeakPolarHBondContact O-CG2 3.46Å; F184-V188 PolarHBondContact O-N 3.18Å; V188-Q190 VanDerWaalsContact C-N 3.33Å; V188-Q190 PolarHBondContact O-N 2.97Å; V188-E191 PolarHBondContact O-N 3.03Å; V188-F192 HydrophobicContact CG1-CD2 3.71Å; V188-F192 HydrophobicContact CG1-CE2 3.82Å; V188-F192 WeakPolarHBondContact O-CD2 3.31Å; V188-F192 PolarHBondContact O-N 3.2Å; V188-F192 VanDerWaalsContact O-N 3.1Å; V188-L199 HydrophobicContact CG1-CD1 4.04Å
189L71.6Confident71.4Confident29 Ų2977.1 Ų77.115%0.15239%0.39CS..Hα-helixtrans-55-45.3176.7-82.3177000113.4L185 S186 F192 E193 L199 W226 T233L185-L189 WeakPolarHBondContact O-CG 3.21Å; L185-L189 PolarHBondContact O-N 3.13Å; S186-L189 PolarHBondContact O-N 3.32Å; L189-F192 CarbonylContact O-C 3.49Å; L189-F192 PolarHBondContact O-N 3.07Å; L189-F192 VanDerWaalsContact O-N 3.13Å; L189-E193 PolarHBondContact O-N 3.43Å; L189-L199 HydrophobicContact CD2-CD2 3.24Å; L189-L199 HydrophobicContact CG-CD2 4.27Å; L189-W226 HydrophobicContact CD1-CH2 3.4Å; L189-W226 HydrophobicContact CD1-CZ2 3.27Å; L189-W226 HydrophobicContact CD2-CH2 4.07Å; L189-W226 HydrophobicContact CG-CH2 3.69Å; L189-W226 HydrophobicContact CG-CZ2 3.88Å; L189-T233 HydrophobicContact CD2-CG2 4.19Å
190Q69.8Low71.7Confident136 Ų13672.6 Ų72.664%0.63637%0.366SS*.Hα-helixtrans-64-40.9-178.9-77.1178.1-600112.3S186 S187 V188 F192 E193S186-Q190 WeakPolarHBondContact O-CG 3.42Å; S186-Q190 PolarHBondContact O-N 3.39Å; S187-Q190 PolarHBondContact O-N 3.46Å; V188-Q190 VanDerWaalsContact C-N 3.33Å; V188-Q190 PolarHBondContact O-N 2.97Å; Q190-F192 PolarHBondContact O-N 3.06Å; Q190-E193 PolarHBondContact O-N 3Å
191E62.4Low72.1Confident149 Ų14966.2 Ų66.270%0.69635%0.347SS*.Hα-helixtrans-64-30.5174.6-72.2178.3-176.900111.8S187 V188S187-E191 WeakPolarHBondContact O-CG 3.5Å; S187-E191 PolarHBondContact O-N 3.39Å; V188-E191 PolarHBondContact O-N 3.03Å
192F57.4Low72.3Confident64 Ų6466.7 Ų66.728%0.28135%0.35SS..THydrogen-bonded Turntrans-94.22.4178.8-71.2-71.7000114.6V188 L189 Q190 V194 A195 A196 L199V188-F192 HydrophobicContact CG1-CD2 3.71Å; V188-F192 HydrophobicContact CG1-CE2 3.82Å; V188-F192 WeakPolarHBondContact O-CD2 3.31Å; V188-F192 PolarHBondContact O-N 3.2Å; V188-F192 VanDerWaalsContact O-N 3.1Å; L189-F192 CarbonylContact O-C 3.49Å; L189-F192 PolarHBondContact O-N 3.07Å; L189-F192 VanDerWaalsContact O-N 3.13Å; Q190-F192 PolarHBondContact O-N 3.06Å; F192-V194 PolarHBondContact O-N 2.93Å; F192-A195 HydrophobicContact CD1-CB 4.12Å; F192-A195 CarbonylContact O-C 3.43Å; F192-A195 WeakPolarHBondContact O-CA 3.23Å; F192-A195 PolarHBondContact O-N 3.44Å; F192-A196 WeakPolarHBondContact O-CA 3.31Å; F192-A196 PolarHBondContact O-N 2.92Å; F192-L199 HydrophobicContact CB-CB 4.43Å; F192-L199 HydrophobicContact CD2-CD1 4.13Å
193E51.7Low72.6Confident148 Ų14863.8 Ų63.869%0.69234%0.336SS*.THydrogen-bonded Turntrans-61.2-26.4176-84.7-178.217400112.3L189 Q190 A195L189-E193 PolarHBondContact O-N 3.43Å; Q190-E193 PolarHBondContact O-N 3Å; E193-A195 VanDerWaalsContact C-N 3.35Å
194V46.6Very low73Confident148 Ų14858.7 Ų58.790%0.89731%0.309SS*.THydrogen-bonded Turntrans-81.5-16173.3-173.80000112.2F192F192-V194 PolarHBondContact O-N 2.93Å
195A53.3Low73.3Confident35 Ų3556.5 Ų56.529%0.28930%0.3SS..SBendtrans-135.835.8-171.600000112.2F192 E193 E197 H198F192-A195 HydrophobicContact CD1-CB 4.12Å; F192-A195 CarbonylContact O-C 3.43Å; F192-A195 WeakPolarHBondContact O-CA 3.23Å; F192-A195 PolarHBondContact O-N 3.44Å; E193-A195 VanDerWaalsContact C-N 3.35Å; A195-E197 PolarHBondContact O-N 2.91Å; A195-H198 WeakPolarHBondContact O-CB 3.33Å; A195-H198 PolarHBondContact O-N 3.39Å
196A56.7Low73.6Confident38 Ų3856.3 Ų56.331%0.31430%0.299SS..Hα-helixtrans-63.2-17.9-165.800000114.2F192 H198 H236F192-A196 WeakPolarHBondContact O-CA 3.31Å; F192-A196 PolarHBondContact O-N 2.92Å; A196-H198 VanDerWaalsContact C-N 3.34Å; A196-H236 PolarHBondContact O-NE2 3.45Å; A196-H236 VanDerWaalsContact O-NE2 3.11Å
197E64.6Low74Confident155 Ų15555.4 Ų55.472%0.72429%0.292SS*.Hα-helixtrans-71.8-26.9175.4-61.8-174.3175.100112.8A195 P201A195-E197 PolarHBondContact O-N 2.91Å; E197-P201 WeakPolarHBondContact O-CD 3.44Å
198H71.8Confident74.5Confident119 Ų11954.4 Ų54.455%0.55128%0.283SS*.Hα-helixtrans-78.7-25-179.2-69.7-71.4000113.1A195 A196 P201 V202A195-H198 WeakPolarHBondContact O-CB 3.33Å; A195-H198 PolarHBondContact O-N 3.39Å; A196-H198 VanDerWaalsContact C-N 3.34Å; H198-P201 WeakPolarHBondContact O-CD 3.44Å; H198-V202 WeakPolarHBondContact O-CG2 3.44Å
199L81.4Confident74.7Confident15 Ų1554.2 Ų54.28%0.07928%0.282CS..Hα-helixtrans-73.9-35.1-176.5-173.767.9000112.8V188 L189 F192 V202 I203V188-L199 HydrophobicContact CG1-CD1 4.04Å; L189-L199 HydrophobicContact CD2-CD2 3.24Å; L189-L199 HydrophobicContact CG-CD2 4.27Å; F192-L199 HydrophobicContact CB-CB 4.43Å; F192-L199 HydrophobicContact CD2-CD1 4.13Å; L199-V202 PolarHBondContact O-N 2.88Å; L199-V202 VanDerWaalsContact O-N 3.12Å; L199-I203 HydrophobicContact CD1-CD1 4.33Å; L199-I203 HydrophobicContact CD1-CG1 4.3Å; L199-I203 HydrophobicContact CD2-CD1 4.01Å; L199-I203 HydrophobicContact CG-CD1 3.72Å; L199-I203 HydrophobicContact CG-CG1 4.12Å; L199-I203 WeakPolarHBondContact O-CG1 3.5Å; L199-I203 PolarHBondContact O-N 3.24Å
200C86.8Confident74.4Confident1 Ų157.7 Ų57.71%0.00731%0.305CS..Hα-helixtrans-61.4-46.5-178.3-56.30000112.2V202 I203 A204 H236 V237 A240 L241C200-V202 PolarHBondContact O-N 3.37Å; C200-I203 PolarHBondContact O-N 3.24Å; C200-A204 WeakPolarHBondContact O-CB 3.46Å; C200-A204 PolarHBondContact O-N 2.91Å; C200-H236 PolarHBondContact SG-CD2 2.88Å; C200-V237 HydrophobicContact CB-CG2 4.29Å; C200-A240 HydrophobicContact CB-CB 3.94Å; C200-L241 HydrophobicContact CB-CD2 4.16Å; C200-L241 HydrophobicContact CB-CG 4.1Å
201P86.9Confident73.9Confident39 Ų3954.9 Ų54.925%0.25330%0.297SS..Hα-helixtrans-54-46.8168.6-30.136.9000113.5V153 A157 E197 H198 I203 A204 A205V153-P201 HydrophobicContact CG1-CB 3.43Å; V153-P201 VanDerWaalsContact CG1-CB 3.43Å; V153-P201 WeakPolarHBondContact CG1-O 3.44Å; A157-P201 HydrophobicContact CB-CB 3.69Å; E197-P201 WeakPolarHBondContact O-CD 3.44Å; H198-P201 WeakPolarHBondContact O-CD 3.44Å; P201-I203 PolarHBondContact O-N 2.94Å; P201-A204 PolarHBondContact O-N 2.97Å; P201-A205 WeakPolarHBondContact O-CB 3.36Å; P201-A205 PolarHBondContact O-N 3.43Å
202V88.3Confident73.6Confident10 Ų1056.2 Ų56.26%0.06131%0.309CS..Hα-helixtrans-62.2-44.6-178177.30000111.5A157 Q160 L164 H198 L199 C200 A205 A206A157-V202 HydrophobicContact CB-CG2 4.29Å; Q160-V202 HydrophobicContact CB-CG1 3.92Å; Q160-V202 HydrophobicContact CB-CG2 3.84Å; L164-V202 HydrophobicContact CD2-CG1 4.23Å; H198-V202 WeakPolarHBondContact O-CG2 3.44Å; L199-V202 PolarHBondContact O-N 2.88Å; L199-V202 VanDerWaalsContact O-N 3.12Å; C200-V202 PolarHBondContact O-N 3.37Å; V202-A205 PolarHBondContact O-N 3.44Å; V202-A206 VanDerWaalsContact O-CB 3.28Å; V202-A206 WeakPolarHBondContact O-CB 3.37Å; V202-A206 PolarHBondContact O-N 2.89Å
203I89.6Confident73.9Confident5 Ų555.6 Ų55.63%0.02631%0.313CS..Hα-helixtrans-61.3-46.1177.1-70.7171.8000110.8L199 C200 P201 A206 L207 L223 L227 V237L199-I203 HydrophobicContact CD1-CD1 4.33Å; L199-I203 HydrophobicContact CD1-CG1 4.3Å; L199-I203 HydrophobicContact CD2-CD1 4.01Å; L199-I203 HydrophobicContact CG-CD1 3.72Å; L199-I203 HydrophobicContact CG-CG1 4.12Å; L199-I203 WeakPolarHBondContact O-CG1 3.5Å; L199-I203 PolarHBondContact O-N 3.24Å; C200-I203 PolarHBondContact O-N 3.24Å; P201-I203 PolarHBondContact O-N 2.94Å; I203-A206 PolarHBondContact O-N 3.45Å; I203-L207 HydrophobicContact CG2-CD1 4.2Å; I203-L207 WeakPolarHBondContact O-CG 3.36Å; I203-L207 PolarHBondContact O-N 3.18Å; I203-L207 VanDerWaalsContact O-N 3.16Å; I203-L223 HydrophobicContact CG2-CD2 4.39Å; I203-L227 HydrophobicContact CD1-CD2 4.32Å; I203-L227 HydrophobicContact CG2-CD1 3.76Å; I203-L227 HydrophobicContact CG2-CD2 4.35Å; I203-V237 HydrophobicContact CD1-CG2 4.12Å
204A91Very high74.5Confident0 Ų052.9 Ų52.90%032%0.315CS..Hα-helixtrans-62.9-45.1178.400000111.6V153 C200 P201 L207 L208 L241 V245 L249V153-A204 HydrophobicContact CG2-CB 3.84Å; C200-A204 WeakPolarHBondContact O-CB 3.46Å; C200-A204 PolarHBondContact O-N 2.91Å; P201-A204 PolarHBondContact O-N 2.97Å; A204-L207 PolarHBondContact O-N 2.87Å; A204-L208 WeakPolarHBondContact O-CB 3.27Å; A204-L208 VanDerWaalsContact O-CG 3.24Å; A204-L208 WeakPolarHBondContact O-CG 3.45Å; A204-L208 PolarHBondContact O-N 3.13Å; A204-L241 HydrophobicContact CB-CD1 3.64Å; A204-L241 HydrophobicContact CB-CD2 4.16Å; A204-V245 HydrophobicContact CB-CG1 3.78Å; A204-L249 HydrophobicContact CB-CD1 4.11Å
205A89.6Confident75.2Confident2 Ų248.3 Ų48.32%0.01729%0.293CS..Hα-helixtrans-60.9-47.6177.900000110.8V153 A157 E158 P201 V202 L207 L208 T209V153-A205 HydrophobicContact CB-CB 4.12Å; V153-A205 HydrophobicContact CG1-CB 4.34Å; A157-A205 HydrophobicContact CB-CB 4.24Å; A157-A205 VanDerWaalsContact O-CB 3.24Å; A157-A205 WeakPolarHBondContact O-CB 3.38Å; E158-A205 HydrophobicContact CG-CB 4.19Å; P201-A205 WeakPolarHBondContact O-CB 3.36Å; P201-A205 PolarHBondContact O-N 3.43Å; V202-A205 PolarHBondContact O-N 3.44Å; A205-L207 VanDerWaalsContact C-N 3.27Å; A205-L207 PolarHBondContact O-N 3.43Å; A205-L208 CarbonylContact O-C 3.37Å; A205-L208 PolarHBondContact O-N 3.35Å; A205-T209 PolarHBondContact O-N 2.84Å; A205-T209 PolarHBondContact O-OG1 2.99Å
206A90.3Very high75.9Confident0 Ų047.9 Ų47.90%029%0.285CS..Hα-helixtrans-55.8-39178.600000113.3L164 M165 V202 I203 T209 Q220 L223L164-A206 HydrophobicContact CD2-CB 4.23Å; M165-A206 HydrophobicContact CE-CB 3.47Å; M165-A206 VanDerWaalsContact CE-CB 3.47Å; M165-A206 HydrophobicContact CG-CB 3.92Å; V202-A206 VanDerWaalsContact O-CB 3.28Å; V202-A206 WeakPolarHBondContact O-CB 3.37Å; V202-A206 PolarHBondContact O-N 2.89Å; I203-A206 PolarHBondContact O-N 3.45Å; A206-T209 PolarHBondContact O-OG1 3.1Å; A206-Q220 PolarHBondContact O-NE2 3.18Å; A206-L223 HydrophobicContact CB-CD2 4.4Å
207L90.8Very high76.9Confident1 Ų149.8 Ų49.81%0.00529%0.293CS..Hα-helixtrans-78.4-25.9176.6-68.1173.9000113.2I203 A204 A205 Q220 L223 L224 L227 L249 H253I203-L207 HydrophobicContact CG2-CD1 4.2Å; I203-L207 WeakPolarHBondContact O-CG 3.36Å; I203-L207 PolarHBondContact O-N 3.18Å; I203-L207 VanDerWaalsContact O-N 3.16Å; A204-L207 PolarHBondContact O-N 2.87Å; A205-L207 VanDerWaalsContact C-N 3.27Å; A205-L207 PolarHBondContact O-N 3.43Å; L207-Q220 HydrophobicContact CD2-CB 4.34Å; L207-Q220 HydrophobicContact CD2-CG 4.42Å; L207-L223 HydrophobicContact CD2-CB 4.45Å; L207-L223 HydrophobicContact CD2-CD2 4Å; L207-L223 HydrophobicContact CD2-CG 4.42Å; L207-L223 HydrophobicContact CG-CD2 4.04Å; L207-L224 HydrophobicContact CD1-CD2 3.85Å; L207-L224 HydrophobicContact CD2-CD1 4.46Å; L207-L224 HydrophobicContact CD2-CD2 4.02Å; L207-L224 HydrophobicContact CD2-CG 3.87Å; L207-L227 HydrophobicContact CD1-CD1 4.07Å; L207-L249 HydrophobicContact CB-CD2 3.47Å; L207-L249 VanDerWaalsContact CB-CD2 3.47Å; L207-L249 HydrophobicContact CD1-CD2 4Å; L207-L249 HydrophobicContact CG-CD2 4.4Å; L207-H253 PolarHBondContact O-NE2 3.04Å
208L87.5Confident77.8Confident27 Ų2744.8 Ų44.814%0.14128%0.278CS..Hα-helixtrans-93.9-15.5179.8-67.9175.5000113.7T152 V153 A204 A205 T210 V245 D248 L249 R252T152-L208 WeakPolarHBondContact OG1-CD1 3.48Å; V153-L208 HydrophobicContact CG2-CD1 4.24Å; A204-L208 WeakPolarHBondContact O-CB 3.27Å; A204-L208 VanDerWaalsContact O-CG 3.24Å; A204-L208 WeakPolarHBondContact O-CG 3.45Å; A204-L208 PolarHBondContact O-N 3.13Å; A205-L208 CarbonylContact O-C 3.37Å; A205-L208 PolarHBondContact O-N 3.35Å; L208-T210 PolarHBondContact O-N 3.04Å; L208-V245 HydrophobicContact CD1-CG1 3.94Å; L208-D248 HydrophobicContact CD1-CB 4.41Å; L208-D248 HydrophobicContact CD2-CB 3.99Å; L208-L249 HydrophobicContact CD1-CD2 4.29Å; L208-L249 HydrophobicContact CD1-CG 4.27Å; L208-L249 HydrophobicContact CD2-CD2 3.79Å; L208-L249 HydrophobicContact CD2-CG 4.11Å; L208-L249 HydrophobicContact CG-CD2 3.66Å; L208-L249 HydrophobicContact CG-CG 4.13Å; L208-R252 VanDerWaalsContact C-NH1 3.28Å; L208-R252 PolarHBondContact O-NH1 3.46Å
209T80.6Confident78.6Confident18 Ų1839.2 Ų39.211%0.1125%0.253CS..  trans-66125.4171.818.80000110.6E162 A205 A206 Q220 R252E162-T209 HydrophobicContact CG-CG2 3.89Å; A205-T209 PolarHBondContact O-N 2.84Å; A205-T209 PolarHBondContact O-OG1 2.99Å; A206-T209 PolarHBondContact O-OG1 3.1Å; T209-Q220 PolarHBondContact O-NE2 2.94Å; T209-R252 PolarHBondContact O-NH2 3.16Å
210T65.1Low78.9Confident102 Ų10239.4 Ų39.463%0.62625%0.253SS*.  trans-93.5115.5174.743.90000109.8L208L208-T210 PolarHBondContact O-N 3.04Å
211T58.8Low79.1Confident76 Ų7642.4 Ų42.447%0.46627%0.269SS..  trans-143.9119.6162.216.10000107.4S213 Q216T211-S213 PolarHBondContact O-N 3.43Å; T211-Q216 PolarHBondContact O-OE1 3.36Å; T211-Q216 PolarHBondContact OG1-NE2 2.87Å; T211-Q216 PolarHBondContact OG1-OE1 2.75Å
212D56.1Low79.3Confident178 Ų17842.2 Ų42.295%0.95227%0.265SS*.  trans-75.252.7-168.6-67.9-39.4000112.8
213S64.4Low79.5Confident51 Ų5141.8 Ų41.836%0.35726%0.262SS..  trans-111.7137.2174.981.30000111.4T211 A215 Q216 T217T211-S213 PolarHBondContact O-N 3.43Å; S213-A215 PolarHBondContact O-N 2.96Å; S213-Q216 PolarHBondContact O-N 3.42Å; S213-Q216 VanDerWaalsContact OG-CB 3.26Å; S213-Q216 WeakPolarHBondContact OG-CB 3.34Å; S213-Q216 PolarHBondContact OG-N 3.09Å; S213-T217 PolarHBondContact O-N 3.41Å; S213-T217 PolarHBondContact O-OG1 3.33Å
214A63.8Low79.6Confident90 Ų9041.8 Ų41.874%0.74426%0.262SS*.Hα-helixtrans-60.3-32.9179.200000112.9Q216 T217 A218A214-Q216 PolarHBondContact O-N 3.41Å; A214-T217 PolarHBondContact O-N 3.45Å; A214-A218 PolarHBondContact O-N 3.34Å
215A61.1Low79.6Confident53 Ų5345.4 Ų45.444%0.43828%0.281SS..Hα-helixtrans-64.5-30.7175.900000112.5S213 S219S213-A215 PolarHBondContact O-N 2.96Å; A215-S219 PolarHBondContact O-N 2.62Å; A215-S219 VanDerWaalsContact O-N 3.16Å; A215-S219 PolarHBondContact O-OG 2.87Å
216Q69.3Low79.7Confident25 Ų2545.9 Ų45.912%0.11728%0.282CS..Hα-helixtrans-83.2-30.9-179.8-165.3160.17.900112.8T211 S213 A214 A218 S219 Q220T211-Q216 PolarHBondContact O-OE1 3.36Å; T211-Q216 PolarHBondContact OG1-NE2 2.87Å; T211-Q216 PolarHBondContact OG1-OE1 2.75Å; S213-Q216 PolarHBondContact O-N 3.42Å; S213-Q216 VanDerWaalsContact OG-CB 3.26Å; S213-Q216 WeakPolarHBondContact OG-CB 3.34Å; S213-Q216 PolarHBondContact OG-N 3.09Å; A214-Q216 PolarHBondContact O-N 3.41Å; Q216-A218 VanDerWaalsContact C-N 3.31Å; Q216-A218 PolarHBondContact O-N 2.76Å; Q216-S219 PolarHBondContact O-N 3.34Å; Q216-Q220 WeakPolarHBondContact O-CB 3.48Å; Q216-Q220 VanDerWaalsContact O-CG 3.31Å; Q216-Q220 WeakPolarHBondContact O-CG 3.2Å; Q216-Q220 PolarHBondContact O-N 3.36Å
217T77.5Confident79.7Confident78 Ų7846 Ų4648%0.47928%0.283SS..Hα-helixtrans-58.8-44.8167.7-48.10000110.9S213 A214 S219 Q220 D221S213-T217 PolarHBondContact O-N 3.41Å; S213-T217 PolarHBondContact O-OG1 3.33Å; A214-T217 PolarHBondContact O-N 3.45Å; T217-S219 VanDerWaalsContact C-N 3.34Å; T217-S219 PolarHBondContact O-N 3.5Å; T217-Q220 PolarHBondContact O-N 3.43Å; T217-D221 WeakPolarHBondContact O-CB 3.3Å; T217-D221 PolarHBondContact O-N 3.45Å
218A83.6Confident79.7Confident51 Ų5149.5 Ų49.542%0.42130%0.299SS..Hα-helixtrans-63.4-38.217600000112.9A214 Q216 F222A214-A218 PolarHBondContact O-N 3.34Å; Q216-A218 VanDerWaalsContact C-N 3.31Å; Q216-A218 PolarHBondContact O-N 2.76Å; A218-F222 WeakPolarHBondContact O-CB 3.19Å; A218-F222 PolarHBondContact O-N 3.48Å
219S87.7Confident79.7Confident1 Ų152 Ų521%0.00732%0.32CS..Hα-helixtrans-68.2-40.8177.7-57.10000112L168 G169 A215 Q216 T217 F222 L223L168-S219 VanDerWaalsContact CD2-O 3.31Å; L168-S219 WeakPolarHBondContact CD2-O 3.18Å; G169-S219 WeakPolarHBondContact CA-OG 3.33Å; G169-S219 PolarHBondContact N-OG 2.96Å; A215-S219 PolarHBondContact O-N 2.62Å; A215-S219 VanDerWaalsContact O-N 3.16Å; A215-S219 PolarHBondContact O-OG 2.87Å; Q216-S219 PolarHBondContact O-N 3.34Å; T217-S219 VanDerWaalsContact C-N 3.34Å; T217-S219 PolarHBondContact O-N 3.5Å; S219-F222 PolarHBondContact O-N 3.35Å; S219-L223 WeakPolarHBondContact O-CB 3.44Å; S219-L223 PolarHBondContact O-N 2.88Å
220Q89.1Confident79.9Confident19 Ų1954.6 Ų54.69%0.08933%0.327CS..Hα-helixtrans-65.2-45.1174.7-73.5177.8-13.700111.5M165 A206 L207 T209 Q216 T217 F222 L223 L224M165-Q220 HydrophobicContact CE-CG 4.42Å; M165-Q220 HydrophobicContact SD-CG 4.03Å; A206-Q220 PolarHBondContact O-NE2 3.18Å; L207-Q220 HydrophobicContact CD2-CB 4.34Å; L207-Q220 HydrophobicContact CD2-CG 4.42Å; T209-Q220 PolarHBondContact O-NE2 2.94Å; Q216-Q220 WeakPolarHBondContact O-CB 3.48Å; Q216-Q220 VanDerWaalsContact O-CG 3.31Å; Q216-Q220 WeakPolarHBondContact O-CG 3.2Å; Q216-Q220 PolarHBondContact O-N 3.36Å; T217-Q220 PolarHBondContact O-N 3.43Å; Q220-F222 PolarHBondContact O-N 3Å; Q220-L223 PolarHBondContact O-N 3.12Å; Q220-L224 VanDerWaalsContact O-CG 3.3Å; Q220-L224 WeakPolarHBondContact O-CG 3.36Å; Q220-L224 PolarHBondContact O-N 3Å
221D89.6Confident80.7Confident65 Ų6558.2 Ų58.235%0.34833%0.329SS..Hα-helixtrans-59.2-45.9175.6-91.9-44.4000111.9T217 L224 D225 K255T217-D221 WeakPolarHBondContact O-CB 3.3Å; T217-D221 PolarHBondContact O-N 3.45Å; D221-L224 PolarHBondContact O-N 3.25Å; D221-D225 PolarHBondContact O-N 2.65Å; D221-K255 IonicContact OD1-NZ 3.96Å; D221-K255 PolarHBondContact OD1-NZ 3.05Å
222F91.3Very high82Confident35 Ų3557.3 Ų57.315%0.15434%0.335CS..Hα-helixtrans-61.4-45.7177.2-176.2-89.6000112L168 L172 P178 A181 E182 L185 A218 S219 Q220 L224 D225 W226L168-F222 HydrophobicContact CD1-CD1 3.84Å; L168-F222 HydrophobicContact CD1-CE1 4.03Å; L168-F222 HydrophobicContact CD2-CD1 4.15Å; L168-F222 HydrophobicContact CG-CD1 4.38Å; L172-F222 HydrophobicContact CD1-CB 4.03Å; L172-F222 HydrophobicContact CD1-CG 4.31Å; L172-F222 HydrophobicContact CD2-CD2 3.93Å; L172-F222 HydrophobicContact CD2-CE2 4.26Å; L172-F222 HydrophobicContact CD2-CG 4.19Å; P178-F222 HydrophobicContact CB-CE2 4Å; A181-F222 HydrophobicContact CB-CD1 4.28Å; A181-F222 HydrophobicContact CB-CE1 3.55Å; A181-F222 HydrophobicContact CB-CE2 4.12Å; A181-F222 HydrophobicContact CB-CZ 3.46Å; A181-F222 VanDerWaalsContact CB-CZ 3.46Å; E182-F222 HydrophobicContact CB-CZ 4.39Å; L185-F222 HydrophobicContact CD1-CD1 4.14Å; L185-F222 HydrophobicContact CD1-CE1 3.77Å; A218-F222 WeakPolarHBondContact O-CB 3.19Å; A218-F222 PolarHBondContact O-N 3.48Å; S219-F222 PolarHBondContact O-N 3.35Å; Q220-F222 PolarHBondContact O-N 3Å; F222-L224 VanDerWaalsContact C-N 3.3Å; F222-L224 PolarHBondContact O-N 2.89Å; F222-D225 PolarHBondContact O-N 3.33Å; F222-W226 WeakPolarHBondContact O-CB 3.48Å; F222-W226 PolarHBondContact O-N 3.28Å
223L92Very high83.4Confident1 Ų150 Ų501%0.00530%0.297CS..Hα-helixtrans-62.2-38.9178.5-177.661.9000111.7M165 L168 L185 I203 A206 L207 S219 Q220 W226 L227M165-L223 HydrophobicContact CE-CB 4.13Å; M165-L223 HydrophobicContact CE-CD2 3.26Å; M165-L223 HydrophobicContact CE-CG 4.31Å; L168-L223 HydrophobicContact CD2-CB 4.22Å; L185-L223 HydrophobicContact CD1-CD1 3.96Å; L185-L223 HydrophobicContact CD2-CD1 4.19Å; I203-L223 HydrophobicContact CG2-CD2 4.39Å; A206-L223 HydrophobicContact CB-CD2 4.4Å; L207-L223 HydrophobicContact CD2-CB 4.45Å; L207-L223 HydrophobicContact CD2-CD2 4Å; L207-L223 HydrophobicContact CD2-CG 4.42Å; L207-L223 HydrophobicContact CG-CD2 4.04Å; S219-L223 WeakPolarHBondContact O-CB 3.44Å; S219-L223 PolarHBondContact O-N 2.88Å; Q220-L223 PolarHBondContact O-N 3.12Å; L223-W226 HydrophobicContact CD1-CE3 3.97Å; L223-W226 HydrophobicContact CD1-CZ3 4.31Å; L223-W226 PolarHBondContact O-N 2.92Å; L223-L227 HydrophobicContact CG-CD1 4.42Å; L223-L227 WeakPolarHBondContact O-CB 3.49Å; L223-L227 WeakPolarHBondContact O-CG 3.49Å; L223-L227 PolarHBondContact O-N 3.48Å
224L92.3Very high84.5Confident4 Ų448.3 Ų48.32%0.02128%0.284CS..Hα-helixtrans-66.3-40.7175.9-73.1170.7000112.6L207 Q220 D221 F222 L227 Q228 H253 K255 F256L207-L224 HydrophobicContact CD1-CD2 3.85Å; L207-L224 HydrophobicContact CD2-CD1 4.46Å; L207-L224 HydrophobicContact CD2-CD2 4.02Å; L207-L224 HydrophobicContact CD2-CG 3.87Å; Q220-L224 VanDerWaalsContact O-CG 3.3Å; Q220-L224 WeakPolarHBondContact O-CG 3.36Å; Q220-L224 PolarHBondContact O-N 3Å; D221-L224 PolarHBondContact O-N 3.25Å; F222-L224 VanDerWaalsContact C-N 3.3Å; F222-L224 PolarHBondContact O-N 2.89Å; L224-L227 PolarHBondContact O-N 3.16Å; L224-Q228 WeakPolarHBondContact O-CG 3.38Å; L224-Q228 PolarHBondContact O-N 3.43Å; L224-Q228 VanDerWaalsContact O-N 3.08Å; L224-Q228 PolarHBondContact O-NE2 2.84Å; L224-H253 HydrophobicContact CD1-CB 3.87Å; L224-H253 HydrophobicContact CD2-CB 4.47Å; L224-K255 HydrophobicContact CB-CD 4.39Å; L224-K255 HydrophobicContact CD1-CB 4.31Å; L224-F256 HydrophobicContact CD2-CB 3.82Å; L224-F256 HydrophobicContact CD2-CD2 4.31Å
225D91.9Very high85.7Confident76 Ų7645.8 Ų45.841%0.40626%0.257SS..Hα-helixtrans-67.6-39.9177.8-67-17.9000110.6D221 F222 Q228 S229 K255D221-D225 PolarHBondContact O-N 2.65Å; F222-D225 PolarHBondContact O-N 3.33Å; D225-Q228 PolarHBondContact O-N 3.44Å; D225-S229 PolarHBondContact O-N 2.86Å; D225-K255 WeakPolarHBondContact OD1-CD 3.49Å; D225-K255 WeakPolarHBondContact OD1-CE 3.33Å; D225-K255 IonicContact OD1-NZ 3.11Å; D225-K255 PolarHBondContact OD1-NZ 3.25Å; D225-K255 IonicContact OD2-NZ 2.67Å; D225-K255 PolarHBondContact OD2-NZ 2.91Å; D225-K255 VanDerWaalsContact OD2-NZ 3.13Å
226W91.1Very high86.9Confident12 Ų1246.6 Ų46.65%0.04525%0.251CS..Hα-helixtrans-65.4-41173.7178.192.5000113L185 L189 F222 L223 Q228 S229 R230 T233L185-W226 HydrophobicContact CB-CD2 4.29Å; L185-W226 HydrophobicContact CB-CH2 4.38Å; L185-W226 HydrophobicContact CB-CZ2 3.7Å; L185-W226 HydrophobicContact CD1-CB 4.1Å; L185-W226 HydrophobicContact CD1-CD2 3.67Å; L185-W226 HydrophobicContact CD1-CE3 4.14Å; L185-W226 HydrophobicContact CD1-CG 3.64Å; L189-W226 HydrophobicContact CD1-CH2 3.4Å; L189-W226 HydrophobicContact CD1-CZ2 3.27Å; L189-W226 HydrophobicContact CD2-CH2 4.07Å; L189-W226 HydrophobicContact CG-CH2 3.69Å; L189-W226 HydrophobicContact CG-CZ2 3.88Å; F222-W226 WeakPolarHBondContact O-CB 3.48Å; F222-W226 PolarHBondContact O-N 3.28Å; L223-W226 HydrophobicContact CD1-CE3 3.97Å; L223-W226 HydrophobicContact CD1-CZ3 4.31Å; L223-W226 PolarHBondContact O-N 2.92Å; W226-Q228 VanDerWaalsContact C-N 3.29Å; W226-Q228 PolarHBondContact O-N 3.16Å; W226-S229 PolarHBondContact O-N 2.91Å; W226-S229 PolarHBondContact O-OG 3.48Å; W226-R230 PolarHBondContact O-N 2.83Å; W226-R230 VanDerWaalsContact O-N 3.09Å; W226-T233 HydrophobicContact CH2-CG2 4.19Å; W226-T233 HydrophobicContact CZ3-CG2 4.12Å
227L90.8Very high87.9Confident2 Ų245.5 Ų45.51%0.0125%0.246CC..Hα-helixtrans-61.7-39.3174.3-80.5171000111.6I203 L207 L223 L224 R230 T233 V237I203-L227 HydrophobicContact CD1-CD2 4.32Å; I203-L227 HydrophobicContact CG2-CD1 3.76Å; I203-L227 HydrophobicContact CG2-CD2 4.35Å; L207-L227 HydrophobicContact CD1-CD1 4.07Å; L223-L227 HydrophobicContact CG-CD1 4.42Å; L223-L227 WeakPolarHBondContact O-CB 3.49Å; L223-L227 WeakPolarHBondContact O-CG 3.49Å; L223-L227 PolarHBondContact O-N 3.48Å; L224-L227 PolarHBondContact O-N 3.16Å; L227-R230 CarbonylContact O-C 3.37Å; L227-R230 PolarHBondContact O-N 3.14Å; L227-T233 HydrophobicContact CD2-CG2 4.01Å; L227-V237 HydrophobicContact CD2-CG2 4.44Å
228Q89.6Confident88.4Confident75 Ų7541.8 Ų41.835%0.3522%0.223SC..Hα-helixtrans-68.6-35.5177.8-74.7175.462.100112.9L224 D225 W226 R230 A259L224-Q228 WeakPolarHBondContact O-CG 3.38Å; L224-Q228 PolarHBondContact O-N 3.43Å; L224-Q228 VanDerWaalsContact O-N 3.08Å; L224-Q228 PolarHBondContact O-NE2 2.84Å; D225-Q228 PolarHBondContact O-N 3.44Å; W226-Q228 VanDerWaalsContact C-N 3.29Å; W226-Q228 PolarHBondContact O-N 3.16Å; Q228-R230 VanDerWaalsContact C-N 3.31Å; Q228-A259 HydrophobicContact CG-CB 3.92Å
229S88.2Confident88.6Confident81 Ų8140.4 Ų40.457%0.56621%0.209SC*.Hα-helixtrans-68.9-32.2175.674.40000111.6D225 W226 R231D225-S229 PolarHBondContact O-N 2.86Å; W226-S229 PolarHBondContact O-N 2.91Å; W226-S229 PolarHBondContact O-OG 3.48Å; S229-R231 PolarHBondContact O-N 2.82Å
230R85.6Confident88.6Confident71 Ų7142.9 Ų42.927%0.26823%0.23SC..  trans-98.979.7178.4-60.8-160.4-179.6-156.70.8113.1E182 S186 W226 L227 Q228 G232 T233 L234E182-R230 IonicContact OE1-NH2 3.13Å; E182-R230 PolarHBondContact OE1-NH2 2.5Å; S186-R230 PolarHBondContact OG-NH1 3.36Å; S186-R230 PolarHBondContact OG-NH2 2.83Å; W226-R230 PolarHBondContact O-N 2.83Å; W226-R230 VanDerWaalsContact O-N 3.09Å; L227-R230 CarbonylContact O-C 3.37Å; L227-R230 PolarHBondContact O-N 3.14Å; Q228-R230 VanDerWaalsContact C-N 3.31Å; R230-G232 VanDerWaalsContact C-N 3.26Å; R230-G232 PolarHBondContact O-N 3.22Å; R230-G232 VanDerWaalsContact O-N 3.13Å; R230-T233 PolarHBondContact O-N 3.28Å; R230-L234 PolarHBondContact O-N 3.02Å
231R82.1Confident88.6Confident179 Ų17942.2 Ų42.268%0.67523%0.227SC*.Hα-helixtrans-51.2-39.4-179.1-66-176.2-180-177.11.8114.6S229 Q235S229-R231 PolarHBondContact O-N 2.82Å; R231-Q235 WeakPolarHBondContact O-CB 3.21Å; R231-Q235 PolarHBondContact O-N 2.92Å
232G84.3Confident88.6Confident56 Ų5643 Ų4358%0.57724%0.236SC*.Hα-helixtrans-65.1-43.917900000112.3R230 Q235 H236R230-G232 VanDerWaalsContact C-N 3.26Å; R230-G232 PolarHBondContact O-N 3.22Å; R230-G232 VanDerWaalsContact O-N 3.13Å; G232-Q235 PolarHBondContact O-N 3.3Å; G232-H236 WeakPolarHBondContact O-CB 3.42Å; G232-H236 PolarHBondContact O-N 3.39Å
233T85.7Confident88.5Confident25 Ų2542.4 Ų42.415%0.15324%0.236CC..Hα-helixtrans-66.3-45178-50.10000111.6L189 W226 L227 R230 Q235 H236 V237L189-T233 HydrophobicContact CD2-CG2 4.19Å; W226-T233 HydrophobicContact CH2-CG2 4.19Å; W226-T233 HydrophobicContact CZ3-CG2 4.12Å; L227-T233 HydrophobicContact CD2-CG2 4.01Å; R230-T233 PolarHBondContact O-N 3.28Å; T233-Q235 VanDerWaalsContact C-N 3.33Å; T233-Q235 PolarHBondContact O-N 3.1Å; T233-H236 WeakPolarHBondContact O-CB 3.4Å; T233-H236 PolarHBondContact O-N 3.27Å; T233-V237 VanDerWaalsContact O-CG2 3.29Å; T233-V237 WeakPolarHBondContact O-CG2 3.42Å; T233-V237 PolarHBondContact O-N 2.76Å
234L89.1Confident88.4Confident15 Ų1550.1 Ų50.18%0.07927%0.269CS..Hα-helixtrans-59.5-45.1175.7178.265.2000111.5R230 H236 V237 C238 F256 A259 L263R230-L234 PolarHBondContact O-N 3.02Å; L234-H236 VanDerWaalsContact C-N 3.34Å; L234-H236 PolarHBondContact O-N 3.46Å; L234-V237 PolarHBondContact O-N 3.34Å; L234-C238 WeakPolarHBondContact O-CB 3.33Å; L234-C238 PolarHBondContact O-N 2.71Å; L234-C238 PolarHBondContact O-SG 3.49Å; L234-C238 VanDerWaalsContact O-SG 3.33Å; L234-F256 HydrophobicContact CD1-CD2 4.4Å; L234-F256 HydrophobicContact CD1-CE2 3.93Å; L234-A259 HydrophobicContact CD2-CB 3.99Å; L234-L263 HydrophobicContact CG-CD2 4.44Å
235Q88.8Confident88.3Confident38 Ų3850.3 Ų50.318%0.17827%0.27CS..Hα-helixtrans-59.2-47.7176.2175.4162.3-11.600111R231 G232 T233 V237 C238 T239 L263 W267R231-Q235 WeakPolarHBondContact O-CB 3.21Å; R231-Q235 PolarHBondContact O-N 2.92Å; G232-Q235 PolarHBondContact O-N 3.3Å; T233-Q235 VanDerWaalsContact C-N 3.33Å; T233-Q235 PolarHBondContact O-N 3.1Å; Q235-V237 PolarHBondContact O-N 3.4Å; Q235-C238 PolarHBondContact O-N 3.03Å; Q235-T239 HydrophobicContact CG-CG2 4.3Å; Q235-T239 VanDerWaalsContact O-CG2 3.26Å; Q235-T239 WeakPolarHBondContact O-CG2 3.47Å; Q235-T239 PolarHBondContact O-N 3.46Å; Q235-T239 PolarHBondContact O-OG1 3.03Å; Q235-L263 HydrophobicContact CB-CD1 4.37Å; Q235-W267 HydrophobicContact CG-CZ2 4.08Å
236H86.4Confident88.3Confident70 Ų7046.7 Ų46.732%0.32425%0.251SS..Hα-helixtrans-57-48.7177.4-172.458.5000112A196 C200 G232 T233 L234 C238 T239 A240A196-H236 PolarHBondContact O-NE2 3.45Å; A196-H236 VanDerWaalsContact O-NE2 3.11Å; C200-H236 PolarHBondContact SG-CD2 2.88Å; G232-H236 WeakPolarHBondContact O-CB 3.42Å; G232-H236 PolarHBondContact O-N 3.39Å; T233-H236 WeakPolarHBondContact O-CB 3.4Å; T233-H236 PolarHBondContact O-N 3.27Å; L234-H236 VanDerWaalsContact C-N 3.34Å; L234-H236 PolarHBondContact O-N 3.46Å; H236-C238 PolarHBondContact O-N 3.16Å; H236-T239 WeakPolarHBondContact CA-OG1 3.41Å; H236-T239 PolarHBondContact O-N 3.45Å; H236-T239 VanDerWaalsContact O-N 3.12Å; H236-T239 PolarHBondContact O-OG1 3.42Å; H236-A240 VanDerWaalsContact O-CB 3.3Å; H236-A240 WeakPolarHBondContact O-CB 3.21Å; H236-A240 PolarHBondContact O-N 3.44Å
237V88.8Confident88.3Confident1 Ų146.4 Ų46.41%0.00625%0.251CS..Hα-helixtrans-56.2-49176170.30000111.6C200 I203 L227 T233 L234 Q235 T239 A240 L241C200-V237 HydrophobicContact CB-CG2 4.29Å; I203-V237 HydrophobicContact CD1-CG2 4.12Å; L227-V237 HydrophobicContact CD2-CG2 4.44Å; T233-V237 VanDerWaalsContact O-CG2 3.29Å; T233-V237 WeakPolarHBondContact O-CG2 3.42Å; T233-V237 PolarHBondContact O-N 2.76Å; L234-V237 PolarHBondContact O-N 3.34Å; Q235-V237 PolarHBondContact O-N 3.4Å; V237-T239 VanDerWaalsContact C-N 3.3Å; V237-T239 PolarHBondContact O-N 3.04Å; V237-A240 PolarHBondContact O-N 2.96Å; V237-L241 HydrophobicContact CG1-CD1 3.51Å; V237-L241 HydrophobicContact CG1-CG 4.4Å; V237-L241 WeakPolarHBondContact O-CB 3.34Å; V237-L241 VanDerWaalsContact O-CG 3.31Å; V237-L241 WeakPolarHBondContact O-CG 3.18Å; V237-L241 PolarHBondContact O-N 3.15Å; V237-L241 VanDerWaalsContact O-N 3.09Å
238C89.5Confident88.3Confident0 Ų049.3 Ų49.30%027%0.267CS..Hα-helixtrans-68.4-26.9179.2-66.50000113.2L234 Q235 H236 L246 F260 L263 W267L234-C238 WeakPolarHBondContact O-CB 3.33Å; L234-C238 PolarHBondContact O-N 2.71Å; L234-C238 PolarHBondContact O-SG 3.49Å; L234-C238 VanDerWaalsContact O-SG 3.33Å; Q235-C238 PolarHBondContact O-N 3.03Å; H236-C238 PolarHBondContact O-N 3.16Å; C238-L246 HydrophobicContact CB-CD2 4.47Å; C238-L246 WeakPolarHBondContact O-CD1 3.48Å; C238-F260 HydrophobicContact CB-CD2 4.18Å; C238-F260 HydrophobicContact CB-CE2 3.94Å; C238-F260 VanDerWaalsContact SG-CD2 3.54Å; C238-L263 HydrophobicContact CB-CD2 3.62Å; C238-W267 HydrophobicContact CB-CH2 3.65Å; C238-W267 HydrophobicContact CB-CZ2 4.22Å
239T87.8Confident88.5Confident22 Ų2245.8 Ų45.814%0.13525%0.25CS..Hα-helixtrans-82-33.7174.359.60000113.4Q235 H236 V237 W267 V289 K293Q235-T239 HydrophobicContact CG-CG2 4.3Å; Q235-T239 VanDerWaalsContact O-CG2 3.26Å; Q235-T239 WeakPolarHBondContact O-CG2 3.47Å; Q235-T239 PolarHBondContact O-N 3.46Å; Q235-T239 PolarHBondContact O-OG1 3.03Å; H236-T239 WeakPolarHBondContact CA-OG1 3.41Å; H236-T239 PolarHBondContact O-N 3.45Å; H236-T239 VanDerWaalsContact O-N 3.12Å; H236-T239 PolarHBondContact O-OG1 3.42Å; V237-T239 VanDerWaalsContact C-N 3.3Å; V237-T239 PolarHBondContact O-N 3.04Å; T239-W267 HydrophobicContact CG2-CH2 4.09Å; T239-W267 HydrophobicContact CG2-CZ2 3.74Å; T239-V289 HydrophobicContact CG2-CG2 3.37Å; T239-K293 PolarHBondContact O-NZ 3.19Å
240A86.8Confident88.7Confident53 Ų5341.9 Ų41.944%0.43822%0.223SC..Hα-helixtrans-82.7-32.4-174.900000112.7C200 H236 V237C200-A240 HydrophobicContact CB-CB 3.94Å; H236-A240 VanDerWaalsContact O-CB 3.3Å; H236-A240 WeakPolarHBondContact O-CB 3.21Å; H236-A240 PolarHBondContact O-N 3.44Å; V237-A240 PolarHBondContact O-N 2.96Å
241L88.9Confident88.9Confident6 Ų645.1 Ų45.13%0.03124%0.239CC..SBendtrans-83.5150.5-174.4-68.1173.6000113.7C200 A204 V237 V245 L246 L249C200-L241 HydrophobicContact CB-CD2 4.16Å; C200-L241 HydrophobicContact CB-CG 4.1Å; A204-L241 HydrophobicContact CB-CD1 3.64Å; A204-L241 HydrophobicContact CB-CD2 4.16Å; V237-L241 HydrophobicContact CG1-CD1 3.51Å; V237-L241 HydrophobicContact CG1-CG 4.4Å; V237-L241 WeakPolarHBondContact O-CB 3.34Å; V237-L241 VanDerWaalsContact O-CG 3.31Å; V237-L241 WeakPolarHBondContact O-CG 3.18Å; V237-L241 PolarHBondContact O-N 3.15Å; V237-L241 VanDerWaalsContact O-N 3.09Å; L241-V245 HydrophobicContact CD1-CG1 4.42Å; L241-L246 HydrophobicContact CB-CD1 4.48Å; L241-L246 HydrophobicContact CB-CD2 4.02Å; L241-L246 HydrophobicContact CB-CG 4.05Å; L241-L246 HydrophobicContact CD1-CD2 4.03Å; L241-L249 HydrophobicContact CD1-CD1 4.43Å
242P89.3Confident89.2Confident82 Ų8241 Ų4153%0.53222%0.224SC..  trans-63.9145.7171.3-20.132.2000112.8K244 V245 L246P242-K244 PolarHBondContact O-N 3.38Å; P242-K244 VanDerWaalsContact O-N 3.12Å; P242-V245 HydrophobicContact CB-CG2 4.29Å; P242-V245 HydrophobicContact CG-CG2 4.26Å; P242-V245 PolarHBondContact O-N 2.92Å; P242-L246 PolarHBondContact O-N 3.18Å
243S89.9Confident89.6Confident21 Ų2139.4 Ų39.415%0.14720%0.201CC..Hα-helixtrans-54.7-34.5-179.2-54.60000113.8L246 A247 H297S243-L246 PolarHBondContact O-N 2.96Å; S243-A247 VanDerWaalsContact O-CB 3.32Å; S243-A247 WeakPolarHBondContact O-CB 3.28Å; S243-A247 PolarHBondContact O-N 3.46Å; S243-H297 PolarHBondContact OG-CE1 3.01Å; S243-H297 PolarHBondContact OG-ND1 3.33Å
244K88.9Confident89.8Confident164 Ų16444.2 Ų44.271%0.71322%0.222SC*.Hα-helixtrans-63.5-43.7176.5-66.8-171.9177.6-175.30112.6P242 L246 A247 D248P242-K244 PolarHBondContact O-N 3.38Å; P242-K244 VanDerWaalsContact O-N 3.12Å; K244-L246 VanDerWaalsContact C-N 3.35Å; K244-A247 WeakPolarHBondContact O-CB 3.26Å; K244-A247 PolarHBondContact O-N 3.34Å; K244-D248 PolarHBondContact O-N 2.74Å
245V91Very high89.9Confident7 Ų747 Ų474%0.04223%0.233CC..Hα-helixtrans-65.5-42179-179.50000110.4T152 V153 A204 L208 L241 P242 A247 D248 L249T152-V245 VanDerWaalsContact O-CG2 3.25Å; T152-V245 WeakPolarHBondContact O-CG2 3.29Å; V153-V245 HydrophobicContact CG2-CG1 3.65Å; V153-V245 HydrophobicContact CG2-CG2 4.29Å; A204-V245 HydrophobicContact CB-CG1 3.78Å; L208-V245 HydrophobicContact CD1-CG1 3.94Å; L241-V245 HydrophobicContact CD1-CG1 4.42Å; P242-V245 HydrophobicContact CB-CG2 4.29Å; P242-V245 HydrophobicContact CG-CG2 4.26Å; P242-V245 PolarHBondContact O-N 2.92Å; V245-A247 VanDerWaalsContact C-N 3.3Å; V245-A247 PolarHBondContact O-N 3.34Å; V245-D248 PolarHBondContact O-N 3.11Å; V245-L249 HydrophobicContact CG1-CD1 4.46Å; V245-L249 WeakPolarHBondContact O-CG 3.44Å; V245-L249 PolarHBondContact O-N 3.48Å
246L92.8Very high90.1Very high0 Ų045.3 Ų45.30%023%0.226CC..Hα-helixtrans-63.6-37.7175.8-64170.8000112C238 L241 P242 S243 K244 L249 A250 F256 F260C238-L246 HydrophobicContact CB-CD2 4.47Å; C238-L246 WeakPolarHBondContact O-CD1 3.48Å; L241-L246 HydrophobicContact CB-CD1 4.48Å; L241-L246 HydrophobicContact CB-CD2 4.02Å; L241-L246 HydrophobicContact CB-CG 4.05Å; L241-L246 HydrophobicContact CD1-CD2 4.03Å; P242-L246 PolarHBondContact O-N 3.18Å; S243-L246 PolarHBondContact O-N 2.96Å; K244-L246 VanDerWaalsContact C-N 3.35Å; L246-L249 HydrophobicContact CD2-CD1 4.48Å; L246-L249 PolarHBondContact O-N 3.03Å; L246-A250 WeakPolarHBondContact O-CB 3.44Å; L246-A250 PolarHBondContact O-N 3.48Å; L246-F256 HydrophobicContact CD2-CE1 4.38Å; L246-F256 HydrophobicContact CD2-CZ 3.81Å; L246-F260 HydrophobicContact CB-CE1 4.33Å; L246-F260 HydrophobicContact CB-CZ 4.23Å; L246-F260 HydrophobicContact CD1-CE2 4.22Å; L246-F260 HydrophobicContact CD1-CZ 3.99Å
247A91.1Very high90.4Very high6 Ų644.2 Ų44.25%0.0522%0.218CC..Hα-helixtrans-67.2-40.8176.300000112.1S243 K244 V245 A250 K251 A300 A304S243-A247 VanDerWaalsContact O-CB 3.32Å; S243-A247 WeakPolarHBondContact O-CB 3.28Å; S243-A247 PolarHBondContact O-N 3.46Å; K244-A247 WeakPolarHBondContact O-CB 3.26Å; K244-A247 PolarHBondContact O-N 3.34Å; V245-A247 VanDerWaalsContact C-N 3.3Å; V245-A247 PolarHBondContact O-N 3.34Å; A247-A250 PolarHBondContact O-N 3.4Å; A247-K251 WeakPolarHBondContact O-CB 3.19Å; A247-K251 PolarHBondContact O-N 2.94Å; A247-A300 HydrophobicContact CB-CB 3.91Å; A247-A300 VanDerWaalsContact CB-O 3.3Å; A247-A300 WeakPolarHBondContact CB-O 3.21Å; A247-A304 HydrophobicContact CB-CB 3.67Å; A247-A304 WeakPolarHBondContact O-CB 3.43Å
248D90.7Very high90.6Very high63 Ų6347.3 Ų47.334%0.33724%0.235SC..Hα-helixtrans-63.1-41.7173.4-71-31.3000111.9L208 K244 V245 K251 R252L208-D248 HydrophobicContact CD1-CB 4.41Å; L208-D248 HydrophobicContact CD2-CB 3.99Å; K244-D248 PolarHBondContact O-N 2.74Å; V245-D248 PolarHBondContact O-N 3.11Å; D248-K251 PolarHBondContact O-N 3.02Å; D248-R252 WeakPolarHBondContact O-CB 3.26Å; D248-R252 PolarHBondContact O-N 3.42Å; D248-R252 VanDerWaalsContact O-N 3.1Å
249L92.4Very high90.7Very high1 Ų147.8 Ų47.81%0.00524%0.239CC..Hα-helixtrans-61.3-46.2173.9-74.6170.3000111.5A204 L207 L208 L241 V245 L246 K251 R252 H253 F256A204-L249 HydrophobicContact CB-CD1 4.11Å; L207-L249 HydrophobicContact CB-CD2 3.47Å; L207-L249 VanDerWaalsContact CB-CD2 3.47Å; L207-L249 HydrophobicContact CD1-CD2 4Å; L207-L249 HydrophobicContact CG-CD2 4.4Å; L208-L249 HydrophobicContact CD1-CD2 4.29Å; L208-L249 HydrophobicContact CD1-CG 4.27Å; L208-L249 HydrophobicContact CD2-CD2 3.79Å; L208-L249 HydrophobicContact CD2-CG 4.11Å; L208-L249 HydrophobicContact CG-CD2 3.66Å; L208-L249 HydrophobicContact CG-CG 4.13Å; L241-L249 HydrophobicContact CD1-CD1 4.43Å; V245-L249 HydrophobicContact CG1-CD1 4.46Å; V245-L249 WeakPolarHBondContact O-CG 3.44Å; V245-L249 PolarHBondContact O-N 3.48Å; L246-L249 HydrophobicContact CD2-CD1 4.48Å; L246-L249 PolarHBondContact O-N 3.03Å; L249-K251 VanDerWaalsContact C-N 3.33Å; L249-K251 PolarHBondContact O-N 3.15Å; L249-R252 PolarHBondContact O-N 3.45Å; L249-H253 WeakPolarHBondContact O-CB 3.4Å; L249-H253 PolarHBondContact O-N 3.06Å; L249-F256 HydrophobicContact CB-CD1 3.66Å; L249-F256 HydrophobicContact CB-CE1 3.62Å; L249-F256 HydrophobicContact CB-CG 4.27Å; L249-F256 HydrophobicContact CB-CZ 4.21Å; L249-F256 HydrophobicContact CD1-CE1 4.26Å; L249-F256 HydrophobicContact CD1-CE2 4.37Å; L249-F256 HydrophobicContact CD1-CZ 4.01Å
250A92.4Very high91Very high0 Ų046.8 Ų46.80%023%0.233CC..Hα-helixtrans-64-37.7178.200000112.2L246 A247 R252 F256 R257 L301L246-A250 WeakPolarHBondContact O-CB 3.44Å; L246-A250 PolarHBondContact O-N 3.48Å; A247-A250 PolarHBondContact O-N 3.4Å; A250-R252 VanDerWaalsContact C-N 3.32Å; A250-R252 PolarHBondContact O-N 3.31Å; A250-F256 HydrophobicContact CB-CD1 4.29Å; A250-R257 HydrophobicContact CB-CB 4.04Å; A250-R257 HydrophobicContact CB-CG 4.05Å; A250-R257 WeakPolarHBondContact O-CD 3.28Å; A250-L301 HydrophobicContact CB-CD1 3.53Å
251K90.8Very high91.2Very high139 Ų13945 Ų4560%0.60422%0.217SC*.Hα-helixtrans-62.7-40.2175.7-175.3177.6178.5-179.80112.2A247 D248 L249 A304A247-K251 WeakPolarHBondContact O-CB 3.19Å; A247-K251 PolarHBondContact O-N 2.94Å; D248-K251 PolarHBondContact O-N 3.02Å; L249-K251 VanDerWaalsContact C-N 3.33Å; L249-K251 PolarHBondContact O-N 3.15Å; K251-A304 HydrophobicContact CB-CB 4.28Å
252R88.8Confident91.3Very high93 Ų9351.5 Ų51.535%0.35125%0.245SC..Hα-helixtrans-83.4-38.2-175.3-172167.5177.7173.5-15.2113.3L208 T209 D248 L249 A250L208-R252 VanDerWaalsContact C-NH1 3.28Å; L208-R252 PolarHBondContact O-NH1 3.46Å; T209-R252 PolarHBondContact O-NH2 3.16Å; D248-R252 WeakPolarHBondContact O-CB 3.26Å; D248-R252 PolarHBondContact O-N 3.42Å; D248-R252 VanDerWaalsContact O-N 3.1Å; L249-R252 PolarHBondContact O-N 3.45Å; A250-R252 VanDerWaalsContact C-N 3.32Å; A250-R252 PolarHBondContact O-N 3.31Å
253H91.1Very high91.5Very high22 Ų2247.9 Ų47.910%0.10222%0.221CC..  trans-121.5103.7-169.1-62.5-66.4000111L207 L224 L249 K255 F256 R257L207-H253 PolarHBondContact O-NE2 3.04Å; L224-H253 HydrophobicContact CD1-CB 3.87Å; L224-H253 HydrophobicContact CD2-CB 4.47Å; L249-H253 WeakPolarHBondContact O-CB 3.4Å; L249-H253 PolarHBondContact O-N 3.06Å; H253-K255 VanDerWaalsContact C-N 3.3Å; H253-K255 PolarHBondContact O-N 3.5Å; H253-F256 HydrophobicContact CB-CB 3.88Å; H253-F256 WeakPolarHBondContact O-CB 3.43Å; H253-F256 PolarHBondContact O-N 3.22Å; H253-F256 VanDerWaalsContact O-N 3.12Å; H253-R257 PolarHBondContact O-N 2.99Å
254Q90.6Very high91.5Very high126 Ų12646.9 Ų46.959%0.58921%0.214SC*.Hα-helixtrans-57.7-41.3178.6177.6171.31.500112.5F256 R257 D258Q254-F256 VanDerWaalsContact C-N 3.32Å; Q254-F256 PolarHBondContact O-N 2.82Å; Q254-R257 WeakPolarHBondContact O-CB 3.29Å; Q254-R257 PolarHBondContact O-N 3.35Å; Q254-D258 VanDerWaalsContact O-CG 3.24Å; Q254-D258 PolarHBondContact O-N 3.04Å
255K91.7Very high91.6Very high72 Ų7240.9 Ų40.931%0.31319%0.188SC..Hα-helixtrans-54.7-46.3175.2-79.4-177.9177.2-179.20112.4D221 L224 D225 H253 A259D221-K255 IonicContact OD1-NZ 3.96Å; D221-K255 PolarHBondContact OD1-NZ 3.05Å; L224-K255 HydrophobicContact CB-CD 4.39Å; L224-K255 HydrophobicContact CD1-CB 4.31Å; D225-K255 WeakPolarHBondContact OD1-CD 3.49Å; D225-K255 WeakPolarHBondContact OD1-CE 3.33Å; D225-K255 IonicContact OD1-NZ 3.11Å; D225-K255 PolarHBondContact OD1-NZ 3.25Å; D225-K255 IonicContact OD2-NZ 2.67Å; D225-K255 PolarHBondContact OD2-NZ 2.91Å; D225-K255 VanDerWaalsContact OD2-NZ 3.13Å; H253-K255 VanDerWaalsContact C-N 3.3Å; H253-K255 PolarHBondContact O-N 3.5Å; K255-A259 WeakPolarHBondContact O-CB 3.44Å; K255-A259 PolarHBondContact O-N 3.05Å
256F93.6Very high91.6Very high4 Ų443.9 Ų43.92%0.01820%0.198CC..Hα-helixtrans-64.5-46.3177.2-178-96.3000111.2L224 L234 L246 L249 A250 H253 Q254 D258 A259 F260L224-F256 HydrophobicContact CD2-CB 3.82Å; L224-F256 HydrophobicContact CD2-CD2 4.31Å; L234-F256 HydrophobicContact CD1-CD2 4.4Å; L234-F256 HydrophobicContact CD1-CE2 3.93Å; L246-F256 HydrophobicContact CD2-CE1 4.38Å; L246-F256 HydrophobicContact CD2-CZ 3.81Å; L249-F256 HydrophobicContact CB-CD1 3.66Å; L249-F256 HydrophobicContact CB-CE1 3.62Å; L249-F256 HydrophobicContact CB-CG 4.27Å; L249-F256 HydrophobicContact CB-CZ 4.21Å; L249-F256 HydrophobicContact CD1-CE1 4.26Å; L249-F256 HydrophobicContact CD1-CE2 4.37Å; L249-F256 HydrophobicContact CD1-CZ 4.01Å; A250-F256 HydrophobicContact CB-CD1 4.29Å; H253-F256 HydrophobicContact CB-CB 3.88Å; H253-F256 WeakPolarHBondContact O-CB 3.43Å; H253-F256 PolarHBondContact O-N 3.22Å; H253-F256 VanDerWaalsContact O-N 3.12Å; Q254-F256 VanDerWaalsContact C-N 3.32Å; Q254-F256 PolarHBondContact O-N 2.82Å; F256-D258 VanDerWaalsContact C-N 3.34Å; F256-D258 PolarHBondContact O-N 3.19Å; F256-A259 PolarHBondContact O-N 3.15Å; F256-F260 HydrophobicContact CD1-CB 4.43Å; F256-F260 HydrophobicContact CE1-CB 4.15Å; F256-F260 HydrophobicContact CE1-CG 4.34Å; F256-F260 WeakPolarHBondContact O-CB 3.47Å; F256-F260 PolarHBondContact O-N 3.32Å
257R92.7Very high91.5Very high46 Ų4643.9 Ų43.917%0.17420%0.198CC..Hα-helixtrans-55.6-47.7179.2-172.8174.479.7-177-4.2112.4A250 H253 Q254 A259 F260 C261 L301 L308A250-R257 HydrophobicContact CB-CB 4.04Å; A250-R257 HydrophobicContact CB-CG 4.05Å; A250-R257 WeakPolarHBondContact O-CD 3.28Å; H253-R257 PolarHBondContact O-N 2.99Å; Q254-R257 WeakPolarHBondContact O-CB 3.29Å; Q254-R257 PolarHBondContact O-N 3.35Å; R257-A259 VanDerWaalsContact C-N 3.34Å; R257-A259 PolarHBondContact O-N 3.22Å; R257-F260 PolarHBondContact O-N 3.21Å; R257-C261 WeakPolarHBondContact O-CB 3.37Å; R257-C261 PolarHBondContact O-N 2.94Å; R257-C261 PolarHBondContact O-SG 3.48Å; R257-L301 HydrophobicContact CG-CD1 4.33Å; R257-L308 HydrophobicContact CG-CD1 3.83Å
258D91.9Very high91.4Very high66 Ų6643.6 Ų43.635%0.35320%0.196SC..Hα-helixtrans-66.2-39.2-179.5-62.2-12.2000111.1Q254 F256 K262Q254-D258 VanDerWaalsContact O-CG 3.24Å; Q254-D258 PolarHBondContact O-N 3.04Å; F256-D258 VanDerWaalsContact C-N 3.34Å; F256-D258 PolarHBondContact O-N 3.19Å; D258-K262 VanDerWaalsContact O-CG 3.28Å; D258-K262 WeakPolarHBondContact O-CG 3.01Å; D258-K262 PolarHBondContact O-N 3.25Å
259A92.8Very high91.3Very high10 Ų1044.1 Ų44.18%0.08321%0.205CC..Hα-helixtrans-66.6-40.8174.900000112.2Q228 L234 K255 F256 R257 K262 L263Q228-A259 HydrophobicContact CG-CB 3.92Å; L234-A259 HydrophobicContact CD2-CB 3.99Å; K255-A259 WeakPolarHBondContact O-CB 3.44Å; K255-A259 PolarHBondContact O-N 3.05Å; F256-A259 PolarHBondContact O-N 3.15Å; R257-A259 VanDerWaalsContact C-N 3.34Å; R257-A259 PolarHBondContact O-N 3.22Å; A259-K262 PolarHBondContact O-N 3.01Å; A259-L263 WeakPolarHBondContact O-CB 3.47Å; A259-L263 PolarHBondContact O-N 2.97Å
260F92.4Very high91.2Very high2 Ų248.4 Ų48.41%0.00923%0.225CC..Hα-helixtrans-67.3-43.4178.6-174.5-131.5000111.8C238 L246 F256 R257 K262 L263 L264 W267 H297C238-F260 HydrophobicContact CB-CD2 4.18Å; C238-F260 HydrophobicContact CB-CE2 3.94Å; C238-F260 VanDerWaalsContact SG-CD2 3.54Å; L246-F260 HydrophobicContact CB-CE1 4.33Å; L246-F260 HydrophobicContact CB-CZ 4.23Å; L246-F260 HydrophobicContact CD1-CE2 4.22Å; L246-F260 HydrophobicContact CD1-CZ 3.99Å; F256-F260 HydrophobicContact CD1-CB 4.43Å; F256-F260 HydrophobicContact CE1-CB 4.15Å; F256-F260 HydrophobicContact CE1-CG 4.34Å; F256-F260 WeakPolarHBondContact O-CB 3.47Å; F256-F260 PolarHBondContact O-N 3.32Å; R257-F260 PolarHBondContact O-N 3.21Å; F260-K262 VanDerWaalsContact C-N 3.31Å; F260-K262 PolarHBondContact O-N 3.46Å; F260-L263 HydrophobicContact CD2-CD2 4.49Å; F260-L263 WeakPolarHBondContact O-CB 3.46Å; F260-L263 PolarHBondContact O-N 3.37Å; F260-L263 VanDerWaalsContact O-N 3.1Å; F260-L264 HydrophobicContact CD1-CD1 4.29Å; F260-L264 HydrophobicContact CD2-CG 4.42Å; F260-L264 HydrophobicContact CE1-CD1 4Å; F260-L264 HydrophobicContact CE1-CG 4.5Å; F260-L264 HydrophobicContact CE2-CD2 4.07Å; F260-L264 HydrophobicContact CE2-CG 4.16Å; F260-L264 HydrophobicContact CZ-CD1 4.14Å; F260-L264 HydrophobicContact CZ-CD2 4.07Å; F260-L264 HydrophobicContact CZ-CG 4.22Å; F260-L264 WeakPolarHBondContact O-CG 3.36Å; F260-L264 PolarHBondContact O-N 3.01Å; F260-W267 HydrophobicContact CE2-CZ3 4.45Å; F260-H297 HydrophobicContact CE1-CB 4.41Å; F260-H297 HydrophobicContact CZ-CB 3.82Å; F260-H297 AromaticContact CZ-CG 3.88Å
261C91.7Very high91Very high15 Ų1549 Ų4910%0.10123%0.228CC..Hα-helixtrans-58.5-41.8173-720000112.3R257 L263 K265R257-C261 WeakPolarHBondContact O-CB 3.37Å; R257-C261 PolarHBondContact O-N 2.94Å; R257-C261 PolarHBondContact O-SG 3.48Å; C261-L263 VanDerWaalsContact C-N 3.32Å; C261-K265 VanDerWaalsContact O-CG 3.29Å; C261-K265 WeakPolarHBondContact O-CG 3.38Å; C261-K265 PolarHBondContact O-N 3.31Å
262K91.7Very high91Very high143 Ų14348.1 Ų48.162%0.62223%0.226SC*.Hα-helixtrans-64.2-38.6175.2-72.1168.6-173.6171.30111.7D258 A259 F260 R266D258-K262 VanDerWaalsContact O-CG 3.28Å; D258-K262 WeakPolarHBondContact O-CG 3.01Å; D258-K262 PolarHBondContact O-N 3.25Å; A259-K262 PolarHBondContact O-N 3.01Å; F260-K262 VanDerWaalsContact C-N 3.31Å; F260-K262 PolarHBondContact O-N 3.46Å; K262-R266 PolarHBondContact O-N 3.31Å
263L91.7Very high91Very high5 Ų547.1 Ų47.13%0.02622%0.223CC..Hα-helixtrans-66-46.4177.6-178.962.5000112L234 Q235 C238 A259 F260 C261 K265 R266 W267L234-L263 HydrophobicContact CG-CD2 4.44Å; Q235-L263 HydrophobicContact CB-CD1 4.37Å; C238-L263 HydrophobicContact CB-CD2 3.62Å; A259-L263 WeakPolarHBondContact O-CB 3.47Å; A259-L263 PolarHBondContact O-N 2.97Å; F260-L263 HydrophobicContact CD2-CD2 4.49Å; F260-L263 WeakPolarHBondContact O-CB 3.46Å; F260-L263 PolarHBondContact O-N 3.37Å; F260-L263 VanDerWaalsContact O-N 3.1Å; C261-L263 VanDerWaalsContact C-N 3.32Å; L263-K265 VanDerWaalsContact C-N 3.32Å; L263-K265 PolarHBondContact O-N 2.92Å; L263-R266 WeakPolarHBondContact O-CB 3.49Å; L263-R266 PolarHBondContact O-N 3.19Å; L263-R266 VanDerWaalsContact O-N 3.13Å; L263-W267 HydrophobicContact CD1-CD2 4.35Å; L263-W267 HydrophobicContact CD1-CZ2 3.94Å; L263-W267 HydrophobicContact CD2-CH2 3.76Å; L263-W267 HydrophobicContact CD2-CZ2 3.48Å; L263-W267 VanDerWaalsContact CD2-CZ2 3.48Å; L263-W267 HydrophobicContact CG-CD2 4.05Å; L263-W267 HydrophobicContact CG-CE3 4.45Å; L263-W267 HydrophobicContact CG-CH2 4.03Å; L263-W267 HydrophobicContact CG-CZ2 3.59Å; L263-W267 HydrophobicContact CG-CZ3 4.44Å; L263-W267 PolarHBondContact O-N 3.48Å
264L91.7Very high90.9Very high0 Ų051.1 Ų51.10%024%0.237CC..Hα-helixtrans-58.3-43.9176.6-69.3175.4000111.7F260 R266 W267 A268 M294 H297 Y298 L301F260-L264 HydrophobicContact CD1-CD1 4.29Å; F260-L264 HydrophobicContact CD2-CG 4.42Å; F260-L264 HydrophobicContact CE1-CD1 4Å; F260-L264 HydrophobicContact CE1-CG 4.5Å; F260-L264 HydrophobicContact CE2-CD2 4.07Å; F260-L264 HydrophobicContact CE2-CG 4.16Å; F260-L264 HydrophobicContact CZ-CD1 4.14Å; F260-L264 HydrophobicContact CZ-CD2 4.07Å; F260-L264 HydrophobicContact CZ-CG 4.22Å; F260-L264 WeakPolarHBondContact O-CG 3.36Å; F260-L264 PolarHBondContact O-N 3.01Å; L264-R266 VanDerWaalsContact C-N 3.35Å; L264-R266 PolarHBondContact O-N 3Å; L264-W267 HydrophobicContact CD2-CE3 3.71Å; L264-W267 HydrophobicContact CD2-CZ3 3.7Å; L264-W267 PolarHBondContact O-N 3.21Å; L264-A268 PolarHBondContact O-N 2.94Å; L264-M294 HydrophobicContact CD2-CG 4.13Å; L264-H297 HydrophobicContact CD1-CB 4.44Å; L264-H297 HydrophobicContact CD2-CB 3.78Å; L264-Y298 HydrophobicContact CB-CE1 4.3Å; L264-Y298 HydrophobicContact CB-CE2 4.05Å; L264-Y298 HydrophobicContact CD1-CD1 4.03Å; L264-Y298 HydrophobicContact CD1-CD2 4.4Å; L264-Y298 HydrophobicContact CD1-CE1 3.89Å; L264-Y298 HydrophobicContact CD1-CE2 4.28Å; L264-Y298 HydrophobicContact CD1-CG 4.28Å; L264-L301 HydrophobicContact CD1-CD2 4.48Å
265K90.6Very high90.7Very high39 Ų3951 Ų5117%0.1724%0.244CC..Hα-helixtrans-61.3-44.1175-68.6167.2-169.2177.50111.6C261 L263 W267 A268 S269 E315 W334C261-K265 VanDerWaalsContact O-CG 3.29Å; C261-K265 WeakPolarHBondContact O-CG 3.38Å; C261-K265 PolarHBondContact O-N 3.31Å; L263-K265 VanDerWaalsContact C-N 3.32Å; L263-K265 PolarHBondContact O-N 2.92Å; K265-W267 VanDerWaalsContact C-N 3.33Å; K265-W267 PolarHBondContact O-N 3.4Å; K265-A268 PolarHBondContact O-N 3.25Å; K265-S269 PolarHBondContact O-N 3.03Å; K265-S269 PolarHBondContact O-OG 2.95Å; K265-E315 VanDerWaalsContact CE-CD 3.49Å; K265-E315 WeakPolarHBondContact CE-OE1 3.45Å; K265-E315 WeakPolarHBondContact CE-OE2 3.35Å; K265-E315 IonicContact NZ-OE1 3.04Å; K265-E315 PolarHBondContact NZ-OE1 3.4Å; K265-E315 IonicContact NZ-OE2 2.84Å; K265-E315 PolarHBondContact NZ-OE2 3.28Å; K265-W334 HydrophobicContact CB-CH2 4.44Å; K265-W334 VanDerWaalsContact O-CH2 3.29Å; K265-W334 WeakPolarHBondContact O-CH2 2.93Å
266R90.1Very high90.3Very high69 Ų6953.8 Ų53.826%0.2627%0.267SS..Hα-helixtrans-60.1-46.7176.7-175.2177.873.7-149.39.4110.7K262 L263 L264 A268 S269 E270K262-R266 PolarHBondContact O-N 3.31Å; L263-R266 WeakPolarHBondContact O-CB 3.49Å; L263-R266 PolarHBondContact O-N 3.19Å; L263-R266 VanDerWaalsContact O-N 3.13Å; L264-R266 VanDerWaalsContact C-N 3.35Å; L264-R266 PolarHBondContact O-N 3Å; R266-A268 PolarHBondContact O-N 3.17Å; R266-S269 WeakPolarHBondContact CA-OG 3.45Å; R266-S269 PolarHBondContact O-N 3.1Å; R266-S269 PolarHBondContact O-OG 2.85Å; R266-E270 WeakPolarHBondContact CD-OE1 3.4Å; R266-E270 HydrophobicContact CG-CG 4.49Å; R266-E270 WeakPolarHBondContact CG-OE1 3.34Å; R266-E270 IonicContact NE-OE1 3.51Å; R266-E270 WeakPolarHBondContact O-CG 3.34Å; R266-E270 PolarHBondContact O-N 3.36Å; R266-E270 VanDerWaalsContact O-N 3.14Å
267W90.1Very high89.8Confident0 Ų058.4 Ų58.40%029%0.289CS..Hα-helixtrans-58.3-48.7178.2-69-26.7000111.8Q235 C238 T239 F260 L263 L264 K265 S269 E270 M271 H282 V289 M294 H297Q235-W267 HydrophobicContact CG-CZ2 4.08Å; C238-W267 HydrophobicContact CB-CH2 3.65Å; C238-W267 HydrophobicContact CB-CZ2 4.22Å; T239-W267 HydrophobicContact CG2-CH2 4.09Å; T239-W267 HydrophobicContact CG2-CZ2 3.74Å; F260-W267 HydrophobicContact CE2-CZ3 4.45Å; L263-W267 HydrophobicContact CD1-CD2 4.35Å; L263-W267 HydrophobicContact CD1-CZ2 3.94Å; L263-W267 HydrophobicContact CD2-CH2 3.76Å; L263-W267 HydrophobicContact CD2-CZ2 3.48Å; L263-W267 VanDerWaalsContact CD2-CZ2 3.48Å; L263-W267 HydrophobicContact CG-CD2 4.05Å; L263-W267 HydrophobicContact CG-CE3 4.45Å; L263-W267 HydrophobicContact CG-CH2 4.03Å; L263-W267 HydrophobicContact CG-CZ2 3.59Å; L263-W267 HydrophobicContact CG-CZ3 4.44Å; L263-W267 PolarHBondContact O-N 3.48Å; L264-W267 HydrophobicContact CD2-CE3 3.71Å; L264-W267 HydrophobicContact CD2-CZ3 3.7Å; L264-W267 PolarHBondContact O-N 3.21Å; K265-W267 VanDerWaalsContact C-N 3.33Å; K265-W267 PolarHBondContact O-N 3.4Å; W267-S269 VanDerWaalsContact C-N 3.32Å; W267-S269 PolarHBondContact O-N 2.99Å; W267-E270 PolarHBondContact O-N 3.45Å; W267-E270 VanDerWaalsContact O-N 3.12Å; W267-M271 WeakPolarHBondContact O-CG 3.37Å; W267-M271 PolarHBondContact O-N 3.35Å; W267-H282 PolarHBondContact O-CE1 2.98Å; W267-V289 HydrophobicContact CD2-CB 4.36Å; W267-V289 HydrophobicContact CD2-CG2 4.02Å; W267-V289 HydrophobicContact CE3-CB 4.17Å; W267-V289 HydrophobicContact CE3-CG1 4.24Å; W267-V289 HydrophobicContact CE3-CG2 3.93Å; W267-V289 HydrophobicContact CH2-CG2 3.7Å; W267-V289 HydrophobicContact CZ2-CG2 3.76Å; W267-V289 HydrophobicContact CZ3-CB 4.39Å; W267-V289 HydrophobicContact CZ3-CG1 4.26Å; W267-V289 HydrophobicContact CZ3-CG2 3.79Å; W267-M294 HydrophobicContact CB-CE 4.08Å; W267-H297 AromaticContact CZ3-CD2 3.97Å
268A90Very high89.4Confident0 Ų058 Ų580%030%0.299CS..Hα-helixtrans-56.3-44.4175.700000112.7L264 K265 R266 E270 M271 M294 V333 W334 I337L264-A268 PolarHBondContact O-N 2.94Å; K265-A268 PolarHBondContact O-N 3.25Å; R266-A268 PolarHBondContact O-N 3.17Å; A268-E270 PolarHBondContact O-N 3.18Å; A268-M271 WeakPolarHBondContact O-CB 3.33Å; A268-M271 PolarHBondContact O-N 3.07Å; A268-M294 HydrophobicContact CB-CE 4.18Å; A268-M294 HydrophobicContact CB-SD 3.82Å; A268-V333 HydrophobicContact CB-CG1 4.39Å; A268-V333 HydrophobicContact CB-CG2 4.32Å; A268-V333 WeakPolarHBondContact O-CG1 3.25Å; A268-W334 HydrophobicContact CB-CE3 3.97Å; A268-W334 HydrophobicContact CB-CH2 3.68Å; A268-W334 HydrophobicContact CB-CZ3 3.35Å; A268-I337 HydrophobicContact CB-CD1 3.71Å
269S89.6Confident89.2Confident75 Ų7560.5 Ų60.552%0.52431%0.309SS..Hα-helixtrans-66.8-20.3179.664.40000114.8K265 R266 W267K265-S269 PolarHBondContact O-N 3.03Å; K265-S269 PolarHBondContact O-OG 2.95Å; R266-S269 WeakPolarHBondContact CA-OG 3.45Å; R266-S269 PolarHBondContact O-N 3.1Å; R266-S269 PolarHBondContact O-OG 2.85Å; W267-S269 VanDerWaalsContact C-N 3.32Å; W267-S269 PolarHBondContact O-N 2.99Å
270E89.2Confident89Confident91 Ų9161.1 Ų61.143%0.42531%0.309SS..THydrogen-bonded Turntrans-95.85.2179.1-68.8170.4-178.200112.4R266 W267 A268 H282R266-E270 WeakPolarHBondContact CD-OE1 3.4Å; R266-E270 HydrophobicContact CG-CG 4.49Å; R266-E270 WeakPolarHBondContact CG-OE1 3.34Å; R266-E270 IonicContact NE-OE1 3.51Å; R266-E270 WeakPolarHBondContact O-CG 3.34Å; R266-E270 PolarHBondContact O-N 3.36Å; R266-E270 VanDerWaalsContact O-N 3.14Å; W267-E270 PolarHBondContact O-N 3.45Å; W267-E270 VanDerWaalsContact O-N 3.12Å; A268-E270 PolarHBondContact O-N 3.18Å; E270-H282 PolarHBondContact O-ND1 3.35Å
271M89.4Confident88.7Confident12 Ų1262.1 Ų62.16%0.05932%0.315CS..EExtended strand (participates in β ladder)trans-88.6142.3175.4-71.4-170.116600111.7W267 A268 W280 V281 V289 F291 M294 V333W267-M271 WeakPolarHBondContact O-CG 3.37Å; W267-M271 PolarHBondContact O-N 3.35Å; A268-M271 WeakPolarHBondContact O-CB 3.33Å; A268-M271 PolarHBondContact O-N 3.07Å; M271-W280 HydrophobicContact CB-CB 4.25Å; M271-W280 HydrophobicContact CB-CE3 3.95Å; M271-W280 HydrophobicContact SD-CB 3.81Å; M271-V281 WeakPolarHBondContact CA-O 3.42Å; M271-V289 WeakPolarHBondContact CE-O 3.44Å; M271-F291 HydrophobicContact SD-CB 4.4Å; M271-F291 HydrophobicContact SD-CD2 4.17Å; M271-M294 HydrophobicContact CE-CE 3.12Å; M271-M294 HydrophobicContact CG-CE 4.31Å; M271-M294 HydrophobicContact SD-CE 3.32Å; M271-M294 WeakPolarHBondContact SD-CE 3.24Å; M271-V333 HydrophobicContact CB-CG2 4.35Å
272E89.4Confident88.3Confident121 Ų12162.2 Ų62.257%0.56531%0.314SS*.EExtended strand (participates in β ladder)trans-117.8144.8173.1-64.7179.6179.400109.2R274 V281 A283E272-R274 PolarHBondContact O-N 2.57Å; E272-V281 PolarHBondContact N-O 3.42Å; E272-V281 WeakPolarHBondContact O-CG2 3.15Å; E272-V281 PolarHBondContact O-N 3.34Å; E272-V281 VanDerWaalsContact O-O 3.12Å; E272-A283 HydrophobicContact CG-CB 4.42Å
273Y90.1Very high87.1Confident72 Ų7258.5 Ų58.528%0.28231%0.31SS..EExtended strand (participates in β ladder)trans-84.5113.1178.9-169.8-108.9000110.7V275 G278 W280 G330Y273-V275 HydrophobicContact CD1-CG2 4.16Å; Y273-V275 HydrophobicContact CE1-CG2 4.41Å; Y273-V275 PolarHBondContact O-N 3.13Å; Y273-G278 WeakPolarHBondContact CE2-O 3.46Å; Y273-G278 WeakPolarHBondContact OH-CA 3.23Å; Y273-G278 PolarHBondContact OH-O 3.05Å; Y273-G278 VanDerWaalsContact OH-O 3.07Å; Y273-W280 AromaticContact CD2-CD1 3.99Å; Y273-W280 AromaticContact CD2-CD2 3.98Å; Y273-W280 HydrophobicContact CD2-CD2 3.98Å; Y273-W280 AromaticContact CD2-CE2 3.77Å; Y273-W280 HydrophobicContact CD2-CG 4.1Å; Y273-W280 HydrophobicContact CD2-CZ2 4.26Å; Y273-W280 AromaticContact CD2-NE1 3.76Å; Y273-W280 HydrophobicContact CG-CZ2 4.49Å; Y273-G330 WeakPolarHBondContact CB-O 3.46Å
274R88.1Confident85.6Confident105 Ų10561.2 Ų61.240%0.39633%0.334SS..EExtended strand (participates in β ladder)trans-87.1103.6173-84.7-171.1-148.1147.215.4110.1E272 T276 E277 G278 E279 V281E272-R274 PolarHBondContact O-N 2.57Å; R274-T276 PolarHBondContact O-N 2.89Å; R274-T276 VanDerWaalsContact O-N 3.14Å; R274-E277 HydrophobicContact CB-CB 4.34Å; R274-E277 WeakPolarHBondContact CD-OE1 3.45Å; R274-E277 IonicContact CZ-OE1 3.26Å; R274-E277 IonicContact NH1-OE1 3.63Å; R274-E277 PolarHBondContact NH1-OE1 3.21Å; R274-E277 IonicContact NH1-OE2 3.95Å; R274-E277 PolarHBondContact NH1-OE2 2.82Å; R274-E277 PolarHBondContact O-N 3.39Å; R274-E277 VanDerWaalsContact O-N 3.08Å; R274-G278 PolarHBondContact O-N 2.74Å; R274-E279 PolarHBondContact N-O 2.91Å; R274-V281 HydrophobicContact CB-CG2 3.95Å; R274-V281 HydrophobicContact CG-CG2 3.42Å; R274-V281 VanDerWaalsContact CG-CG2 3.42Å; R274-V281 VanDerWaalsContact CZ-CG2 3.43Å
275V85.7Confident83.8Confident124 Ų12467.9 Ų67.975%0.75237%0.374SS*.THydrogen-bonded Turntrans-56.4-31.4178.9-176.70000112.9Y273Y273-V275 HydrophobicContact CD1-CG2 4.16Å; Y273-V275 HydrophobicContact CE1-CG2 4.41Å; Y273-V275 PolarHBondContact O-N 3.13Å
276T84.8Confident81.9Confident130 Ų13071.2 Ų71.280%0.79840%0.403SS*.THydrogen-bonded Turntrans-67.9-34.7179500000113.3R274R274-T276 PolarHBondContact O-N 2.89Å; R274-T276 VanDerWaalsContact O-N 3.14Å
277E81.5Confident80.3Confident102 Ų10271 Ų7148%0.47741%0.412SS..THydrogen-bonded Turntrans-97.7-20.4-178.1-67.3168.5-151.200111R274 E279R274-E277 HydrophobicContact CB-CB 4.34Å; R274-E277 WeakPolarHBondContact CD-OE1 3.45Å; R274-E277 IonicContact CZ-OE1 3.26Å; R274-E277 IonicContact NH1-OE1 3.63Å; R274-E277 PolarHBondContact NH1-OE1 3.21Å; R274-E277 IonicContact NH1-OE2 3.95Å; R274-E277 PolarHBondContact NH1-OE2 2.82Å; R274-E277 PolarHBondContact O-N 3.39Å; R274-E277 VanDerWaalsContact O-N 3.08Å; E277-E279 HydrophobicContact CB-CB 4.49Å
278G85.5Confident79Confident37 Ų3773.5 Ų73.538%0.38143%0.432SS..THydrogen-bonded Turntrans72.817.4-174.900000113.3Y273 R274Y273-G278 WeakPolarHBondContact CE2-O 3.46Å; Y273-G278 WeakPolarHBondContact OH-CA 3.23Å; Y273-G278 PolarHBondContact OH-O 3.05Å; Y273-G278 VanDerWaalsContact OH-O 3.07Å; R274-G278 PolarHBondContact O-N 2.74Å
279E86.4Confident78.5Confident119 Ų11973.8 Ų73.856%0.55643%0.434SS*.EExtended strand (participates in β ladder)trans-128.6155.4-171-66-166.9168.100112.9R274 E277R274-E279 PolarHBondContact N-O 2.91Å; E277-E279 HydrophobicContact CB-CB 4.49Å
280W89.3Confident78.4Confident22 Ų2273.2 Ų73.28%0.08343%0.43CS..EExtended strand (participates in β ladder)trans-82.2128.4169.5-69.795.5000110.1M271 Y273 F291 V333 D336M271-W280 HydrophobicContact CB-CB 4.25Å; M271-W280 HydrophobicContact CB-CE3 3.95Å; M271-W280 HydrophobicContact SD-CB 3.81Å; Y273-W280 AromaticContact CD2-CD1 3.99Å; Y273-W280 AromaticContact CD2-CD2 3.98Å; Y273-W280 HydrophobicContact CD2-CD2 3.98Å; Y273-W280 AromaticContact CD2-CE2 3.77Å; Y273-W280 HydrophobicContact CD2-CG 4.1Å; Y273-W280 HydrophobicContact CD2-CZ2 4.26Å; Y273-W280 AromaticContact CD2-NE1 3.76Å; Y273-W280 HydrophobicContact CG-CZ2 4.49Å; W280-F291 HydrophobicContact CB-CB 4.09Å; W280-F291 HydrophobicContact CB-CD2 3.59Å; W280-F291 HydrophobicContact CB-CE2 4.32Å; W280-F291 HydrophobicContact CB-CG 4.06Å; W280-F291 AromaticContact CD1-CD2 3.78Å; W280-F291 AromaticContact CD1-CE2 3.66Å; W280-F291 AromaticContact CG-CD2 3.91Å; W280-F291 HydrophobicContact CG-CD2 3.91Å; W280-F291 HydrophobicContact CG-CE2 4.15Å; W280-V333 HydrophobicContact CD2-CB 3.87Å; W280-V333 HydrophobicContact CD2-CG2 3.8Å; W280-V333 HydrophobicContact CE3-CB 3.77Å; W280-V333 HydrophobicContact CE3-CG2 3.92Å; W280-V333 HydrophobicContact CG-CG2 4.13Å; W280-V333 HydrophobicContact CH2-CB 3.79Å; W280-V333 VanDerWaalsContact CH2-N 3.27Å; W280-V333 HydrophobicContact CZ2-CB 3.89Å; W280-V333 HydrophobicContact CZ3-CB 3.72Å; W280-V333 HydrophobicContact CZ3-CG2 4.39Å; W280-D336 PolarHBondContact NE1-OD2 3.1Å
281V86.4Confident78.4Confident24 Ų2470.8 Ų70.815%0.14542%0.418CS..EExtended strand (participates in β ladder)trans-140.4147.3-175.3-66.40000109.6M271 E272 R274M271-V281 WeakPolarHBondContact CA-O 3.42Å; E272-V281 PolarHBondContact N-O 3.42Å; E272-V281 WeakPolarHBondContact O-CG2 3.15Å; E272-V281 PolarHBondContact O-N 3.34Å; E272-V281 VanDerWaalsContact O-O 3.12Å; R274-V281 HydrophobicContact CB-CG2 3.95Å; R274-V281 HydrophobicContact CG-CG2 3.42Å; R274-V281 VanDerWaalsContact CG-CG2 3.42Å; R274-V281 VanDerWaalsContact CZ-CG2 3.43Å
282H82.6Confident78.4Confident16 Ų1676.4 Ų76.47%0.07444%0.444CS..EExtended strand (participates in β ladder)trans-72144.3176.3-79.6-77.6000112.1W267 E270 A284 A288 V289W267-H282 PolarHBondContact O-CE1 2.98Å; E270-H282 PolarHBondContact O-ND1 3.35Å; H282-A284 VanDerWaalsContact C-N 3.29Å; H282-A284 PolarHBondContact O-N 3.42Å; H282-A288 HydrophobicContact CB-CB 3.44Å; H282-A288 VanDerWaalsContact CB-CB 3.44Å; H282-V289 PolarHBondContact CD2-O 3.3Å
283A67.1Low78.3Confident65 Ų6573.8 Ų73.854%0.53743%0.431SS..SBendtrans-65.7-30.9173.300000112.8E272E272-A283 HydrophobicContact CG-CB 4.42Å
284A60.8Low78.3Confident63 Ų6370.3 Ų70.352%0.52142%0.418SS..  trans-96.2126179.800000111.9H282 S286H282-A284 VanDerWaalsContact C-N 3.29Å; H282-A284 PolarHBondContact O-N 3.42Å; A284-S286 PolarHBondContact O-N 3.34Å
285T52.8Low78.5Confident139 Ų13966 Ų6685%0.85340%0.403SS*.THydrogen-bonded Turntrans-78.4-9.4-172.431.90000115.7
286S51Low78.7Confident110 Ų11064 Ų6477%0.76939%0.385SS*.THydrogen-bonded Turntrans-91.4-11.8-162.156.60000117A284A284-S286 PolarHBondContact O-N 3.34Å
287S55.8Low79.1Confident64 Ų6457.9 Ų57.945%0.44835%0.348SS..SBendtrans-167.829.2175.360.80000114.5V289S287-V289 PolarHBondContact O-N 3.02Å
288A63.4Low79.6Confident52 Ų5253.1 Ų53.143%0.4333%0.325SS..PPolyproline II helixtrans-65122.6-170.600000113.7H282H282-A288 HydrophobicContact CB-CB 3.44Å; H282-A288 VanDerWaalsContact CB-CB 3.44Å
289V79.4Confident79.9Confident7 Ų754.3 Ų54.34%0.04232%0.322CS..PPolyproline II helixtrans-69.7131.6168.5177.20000108.6T239 W267 M271 H282 S287 K293 M294T239-V289 HydrophobicContact CG2-CG2 3.37Å; W267-V289 HydrophobicContact CD2-CB 4.36Å; W267-V289 HydrophobicContact CD2-CG2 4.02Å; W267-V289 HydrophobicContact CE3-CB 4.17Å; W267-V289 HydrophobicContact CE3-CG1 4.24Å; W267-V289 HydrophobicContact CE3-CG2 3.93Å; W267-V289 HydrophobicContact CH2-CG2 3.7Å; W267-V289 HydrophobicContact CZ2-CG2 3.76Å; W267-V289 HydrophobicContact CZ3-CB 4.39Å; W267-V289 HydrophobicContact CZ3-CG1 4.26Å; W267-V289 HydrophobicContact CZ3-CG2 3.79Å; M271-V289 WeakPolarHBondContact CE-O 3.44Å; H282-V289 PolarHBondContact CD2-O 3.3Å; S287-V289 PolarHBondContact O-N 3.02Å; V289-K293 HydrophobicContact CG1-CB 3.85Å; V289-K293 HydrophobicContact CG1-CD 4.2Å; V289-K293 HydrophobicContact CG1-CG 3.89Å; V289-M294 HydrophobicContact CG1-CB 4.33Å
290S88.1Confident80.1Confident63 Ų6349.1 Ų49.144%0.44130%0.3SS..PPolyproline II helixtrans-69.6154.2176.767.50000111.5Q292 K293 M294S290-Q292 PolarHBondContact O-N 3.26Å; S290-K293 PolarHBondContact O-N 3.37Å; S290-K293 VanDerWaalsContact O-N 3.09Å; S290-K293 VanDerWaalsContact OG-CB 3.31Å; S290-K293 WeakPolarHBondContact OG-CB 3.38Å; S290-K293 PolarHBondContact OG-N 3.42Å; S290-M294 PolarHBondContact O-N 3.37Å
291F89.3Confident80.2Confident40 Ų4048.1 Ų48.118%0.17530%0.296CS..Hα-helixtrans-55.3-39.2175-178.3-95.5000112.4M271 W280 M294 T295 V333 D336 I337 A340M271-F291 HydrophobicContact SD-CB 4.4Å; M271-F291 HydrophobicContact SD-CD2 4.17Å; W280-F291 HydrophobicContact CB-CB 4.09Å; W280-F291 HydrophobicContact CB-CD2 3.59Å; W280-F291 HydrophobicContact CB-CE2 4.32Å; W280-F291 HydrophobicContact CB-CG 4.06Å; W280-F291 AromaticContact CD1-CD2 3.78Å; W280-F291 AromaticContact CD1-CE2 3.66Å; W280-F291 AromaticContact CG-CD2 3.91Å; W280-F291 HydrophobicContact CG-CD2 3.91Å; W280-F291 HydrophobicContact CG-CE2 4.15Å; F291-M294 PolarHBondContact O-N 2.85Å; F291-T295 PolarHBondContact O-N 2.95Å; F291-T295 PolarHBondContact O-OG1 3.43Å; F291-V333 HydrophobicContact CE2-CG2 4.45Å; F291-D336 HydrophobicContact CE2-CB 4.38Å; F291-D336 HydrophobicContact CZ-CB 4.07Å; F291-I337 HydrophobicContact CE2-CG1 3.66Å; F291-I337 HydrophobicContact CZ-CG1 4.13Å; F291-A340 HydrophobicContact CE1-CB 4.34Å; F291-A340 HydrophobicContact CZ-CB 4.46Å
292Q89.1Confident80.4Confident130 Ų13047.5 Ų47.561%0.60729%0.292SS*.Hα-helixtrans-60.2-51.2174.6-178.3-175.4-13.800111.2S290 M294 T295 E296S290-Q292 PolarHBondContact O-N 3.26Å; Q292-M294 VanDerWaalsContact C-N 3.29Å; Q292-M294 PolarHBondContact O-N 3.43Å; Q292-T295 WeakPolarHBondContact O-CB 3.28Å; Q292-T295 PolarHBondContact O-N 2.83Å; Q292-T295 VanDerWaalsContact O-N 3.08Å; Q292-E296 WeakPolarHBondContact CG-OE1 3.35Å; Q292-E296 PolarHBondContact NE2-OE1 2.89Å; Q292-E296 WeakPolarHBondContact O-CG 3.11Å; Q292-E296 PolarHBondContact O-N 3.25Å
293K88Confident80.7Confident65 Ų6554.1 Ų54.128%0.28332%0.323SS..Hα-helixtrans-63.4-36.3-178.8-175.5168.1-179.7171.20112T239 V289 S290 E296 H297T239-K293 PolarHBondContact O-NZ 3.19Å; V289-K293 HydrophobicContact CG1-CB 3.85Å; V289-K293 HydrophobicContact CG1-CD 4.2Å; V289-K293 HydrophobicContact CG1-CG 3.89Å; S290-K293 PolarHBondContact O-N 3.37Å; S290-K293 VanDerWaalsContact O-N 3.09Å; S290-K293 VanDerWaalsContact OG-CB 3.31Å; S290-K293 WeakPolarHBondContact OG-CB 3.38Å; S290-K293 PolarHBondContact OG-N 3.42Å; K293-E296 PolarHBondContact O-N 3.36Å; K293-H297 PolarHBondContact O-CD2 3.35Å; K293-H297 VanDerWaalsContact O-CG 3.25Å; K293-H297 PolarHBondContact O-N 2.87Å
294M90Very high81.7Confident0 Ų052 Ų520%031%0.305CS..Hα-helixtrans-62.2-44.3172.1-167.8-164.1-49.800111.9L264 W267 A268 M271 V289 S290 F291 Q292 E296 H297 Y298 I337L264-M294 HydrophobicContact CD2-CG 4.13Å; W267-M294 HydrophobicContact CB-CE 4.08Å; A268-M294 HydrophobicContact CB-CE 4.18Å; A268-M294 HydrophobicContact CB-SD 3.82Å; M271-M294 HydrophobicContact CE-CE 3.12Å; M271-M294 HydrophobicContact CG-CE 4.31Å; M271-M294 HydrophobicContact SD-CE 3.32Å; M271-M294 WeakPolarHBondContact SD-CE 3.24Å; V289-M294 HydrophobicContact CG1-CB 4.33Å; S290-M294 PolarHBondContact O-N 3.37Å; F291-M294 PolarHBondContact O-N 2.85Å; Q292-M294 VanDerWaalsContact C-N 3.29Å; Q292-M294 PolarHBondContact O-N 3.43Å; M294-E296 VanDerWaalsContact C-N 3.34Å; M294-E296 PolarHBondContact O-N 2.77Å; M294-H297 WeakPolarHBondContact O-CB 3.31Å; M294-H297 PolarHBondContact O-N 3.48Å; M294-Y298 HydrophobicContact CG-CD2 4.11Å; M294-Y298 HydrophobicContact CG-CE2 3.91Å; M294-Y298 WeakPolarHBondContact O-CD2 3.39Å; M294-Y298 PolarHBondContact O-N 3.04Å; M294-Y298 HydrophobicContact SD-CE2 4Å; M294-I337 HydrophobicContact SD-CD1 3.69Å; M294-I337 HydrophobicContact SD-CG1 4.46Å
295T90.6Very high83.1Confident15 Ų1549.4 Ų49.49%0.09228%0.283CS..Hα-helixtrans-60.8-44.4176.1-52.10000111F291 Q292 H297 Y298 L299 A340 L341F291-T295 PolarHBondContact O-N 2.95Å; F291-T295 PolarHBondContact O-OG1 3.43Å; Q292-T295 WeakPolarHBondContact O-CB 3.28Å; Q292-T295 PolarHBondContact O-N 2.83Å; Q292-T295 VanDerWaalsContact O-N 3.08Å; T295-H297 VanDerWaalsContact C-N 3.28Å; T295-H297 PolarHBondContact O-N 3.09Å; T295-Y298 PolarHBondContact O-N 3.46Å; T295-L299 HydrophobicContact CG2-CD1 4.3Å; T295-L299 WeakPolarHBondContact O-CG 3.27Å; T295-L299 PolarHBondContact O-N 2.84Å; T295-A340 HydrophobicContact CG2-CB 3.7Å; T295-L341 HydrophobicContact CG2-CD2 4.14Å
296E91.7Very high84.8Confident82 Ų8247.1 Ų47.138%0.38327%0.271SS..Hα-helixtrans-59.5-37.7175.1-71171.7-170.300112.2Q292 K293 M294 A300Q292-E296 WeakPolarHBondContact CG-OE1 3.35Å; Q292-E296 PolarHBondContact NE2-OE1 2.89Å; Q292-E296 WeakPolarHBondContact O-CG 3.11Å; Q292-E296 PolarHBondContact O-N 3.25Å; K293-E296 PolarHBondContact O-N 3.36Å; M294-E296 VanDerWaalsContact C-N 3.34Å; M294-E296 PolarHBondContact O-N 2.77Å; E296-A300 VanDerWaalsContact O-CB 3.29Å; E296-A300 WeakPolarHBondContact O-CB 3.49Å; E296-A300 PolarHBondContact O-N 2.91Å
297H92.2Very high86.5Confident1 Ų146.4 Ų46.41%0.00527%0.266CS..Hα-helixtrans-64.8-44.4174.7-70.2-36000112.6S243 F260 L264 W267 K293 M294 T295 L301S243-H297 PolarHBondContact OG-CE1 3.01Å; S243-H297 PolarHBondContact OG-ND1 3.33Å; F260-H297 HydrophobicContact CE1-CB 4.41Å; F260-H297 HydrophobicContact CZ-CB 3.82Å; F260-H297 AromaticContact CZ-CG 3.88Å; L264-H297 HydrophobicContact CD1-CB 4.44Å; L264-H297 HydrophobicContact CD2-CB 3.78Å; W267-H297 AromaticContact CZ3-CD2 3.97Å; K293-H297 PolarHBondContact O-CD2 3.35Å; K293-H297 VanDerWaalsContact O-CG 3.25Å; K293-H297 PolarHBondContact O-N 2.87Å; M294-H297 WeakPolarHBondContact O-CB 3.31Å; M294-H297 PolarHBondContact O-N 3.48Å; T295-H297 VanDerWaalsContact C-N 3.28Å; T295-H297 PolarHBondContact O-N 3.09Å; H297-L301 VanDerWaalsContact O-CB 3.26Å; H297-L301 WeakPolarHBondContact O-CB 3.28Å; H297-L301 PolarHBondContact O-N 3.32Å
298Y91.6Very high88Confident2 Ų244.1 Ų44.11%0.00825%0.248CC..Hα-helixtrans-63.1-44.5175.5-83.8-69.2000112.1L264 M294 T295 L301 F302 I312 I337 L341L264-Y298 HydrophobicContact CB-CE1 4.3Å; L264-Y298 HydrophobicContact CB-CE2 4.05Å; L264-Y298 HydrophobicContact CD1-CD1 4.03Å; L264-Y298 HydrophobicContact CD1-CD2 4.4Å; L264-Y298 HydrophobicContact CD1-CE1 3.89Å; L264-Y298 HydrophobicContact CD1-CE2 4.28Å; L264-Y298 HydrophobicContact CD1-CG 4.28Å; M294-Y298 HydrophobicContact CG-CD2 4.11Å; M294-Y298 HydrophobicContact CG-CE2 3.91Å; M294-Y298 WeakPolarHBondContact O-CD2 3.39Å; M294-Y298 PolarHBondContact O-N 3.04Å; M294-Y298 HydrophobicContact SD-CE2 4Å; T295-Y298 PolarHBondContact O-N 3.46Å; Y298-L301 WeakPolarHBondContact O-CB 3.41Å; Y298-L301 PolarHBondContact O-N 3.35Å; Y298-F302 HydrophobicContact CD1-CZ 4.37Å; Y298-F302 VanDerWaalsContact O-CG 3.25Å; Y298-F302 WeakPolarHBondContact O-CG 3.35Å; Y298-F302 PolarHBondContact O-N 2.83Å; Y298-I312 HydrophobicContact CD1-CG2 4.11Å; Y298-I312 HydrophobicContact CE1-CG2 3.79Å; Y298-I337 HydrophobicContact CD2-CG2 4.14Å; Y298-I337 HydrophobicContact CE2-CD1 4.45Å; Y298-I337 HydrophobicContact CE2-CG2 4.16Å; Y298-L341 HydrophobicContact CG-CD1 4.34Å; Y298-L341 HydrophobicContact CG-CD2 4.47Å
299L91.8Very high89.3Confident61 Ų6146.7 Ų46.732%0.31925%0.247SC..Hα-helixtrans-60.9-49.8177.2-71.6173.8000111.5T295 L301 F302 E303 L341T295-L299 HydrophobicContact CG2-CD1 4.3Å; T295-L299 WeakPolarHBondContact O-CG 3.27Å; T295-L299 PolarHBondContact O-N 2.84Å; L299-L301 VanDerWaalsContact C-N 3.27Å; L299-L301 PolarHBondContact O-N 3.44Å; L299-F302 PolarHBondContact O-N 2.8Å; L299-F302 VanDerWaalsContact O-N 3.14Å; L299-E303 WeakPolarHBondContact O-CG 3.2Å; L299-E303 PolarHBondContact O-N 3.39Å; L299-L341 HydrophobicContact CD2-CD2 3.79Å; L299-L341 HydrophobicContact CG-CD2 3.86Å
300A91.3Very high89.9Confident10 Ų1050.7 Ų50.78%0.08327%0.271CS..Hα-helixtrans-60.7-38.5177.800000111.7A247 E296 E303 A304A247-A300 HydrophobicContact CB-CB 3.91Å; A247-A300 VanDerWaalsContact CB-O 3.3Å; A247-A300 WeakPolarHBondContact CB-O 3.21Å; E296-A300 VanDerWaalsContact O-CB 3.29Å; E296-A300 WeakPolarHBondContact O-CB 3.49Å; E296-A300 PolarHBondContact O-N 2.91Å; A300-E303 PolarHBondContact O-N 3.36Å; A300-A304 WeakPolarHBondContact O-CB 3.37Å; A300-A304 PolarHBondContact O-N 2.82Å
301L91.2Very high90Very high1 Ų153.3 Ų53.31%0.00528%0.277CS..Hα-helixtrans-63.7-41.8175.6-178.166000112.1A250 R257 L264 H297 Y298 L299 A304 C305 I312A250-L301 HydrophobicContact CB-CD1 3.53Å; R257-L301 HydrophobicContact CG-CD1 4.33Å; L264-L301 HydrophobicContact CD1-CD2 4.48Å; H297-L301 VanDerWaalsContact O-CB 3.26Å; H297-L301 WeakPolarHBondContact O-CB 3.28Å; H297-L301 PolarHBondContact O-N 3.32Å; Y298-L301 WeakPolarHBondContact O-CB 3.41Å; Y298-L301 PolarHBondContact O-N 3.35Å; L299-L301 VanDerWaalsContact C-N 3.27Å; L299-L301 PolarHBondContact O-N 3.44Å; L301-A304 PolarHBondContact O-N 2.79Å; L301-C305 WeakPolarHBondContact O-CB 3.22Å; L301-C305 PolarHBondContact O-N 3.2Å; L301-I312 HydrophobicContact CD2-CD1 3.87Å
302F91Very high90.1Very high11 Ų1151.7 Ų51.75%0.04827%0.27CS..Hα-helixtrans-68.8-37177-65.6-14.9000112.5Y298 L299 C305 P306 R309 I312 E313 L341Y298-F302 HydrophobicContact CD1-CZ 4.37Å; Y298-F302 VanDerWaalsContact O-CG 3.25Å; Y298-F302 WeakPolarHBondContact O-CG 3.35Å; Y298-F302 PolarHBondContact O-N 2.83Å; L299-F302 PolarHBondContact O-N 2.8Å; L299-F302 VanDerWaalsContact O-N 3.14Å; F302-C305 CarbonylContact O-C 3.04Å; F302-P306 VanDerWaalsContact O-CA 3.29Å; F302-P306 WeakPolarHBondContact O-CA 3.38Å; F302-R309 HydrophobicContact CD1-CB 4.12Å; F302-R309 HydrophobicContact CD1-CG 4.38Å; F302-R309 HydrophobicContact CD2-CB 4.49Å; F302-R309 HydrophobicContact CD2-CG 3.93Å; F302-R309 HydrophobicContact CE1-CB 4.45Å; F302-R309 HydrophobicContact CE2-CG 4.06Å; F302-R309 HydrophobicContact CG-CB 4.15Å; F302-R309 HydrophobicContact CG-CG 4.09Å; F302-R309 HydrophobicContact CZ-CG 4.37Å; F302-I312 HydrophobicContact CE1-CB 3.81Å; F302-I312 HydrophobicContact CE1-CD1 3.83Å; F302-I312 HydrophobicContact CE1-CG1 4.38Å; F302-I312 HydrophobicContact CE1-CG2 3.81Å; F302-I312 HydrophobicContact CZ-CB 4.08Å; F302-I312 HydrophobicContact CZ-CG2 3.77Å; F302-E313 HydrophobicContact CE2-CG 4.46Å; F302-E313 HydrophobicContact CZ-CG 4.42Å; F302-L341 HydrophobicContact CE2-CD1 3.86Å; F302-L341 HydrophobicContact CE2-CD2 4.16Å; F302-L341 HydrophobicContact CE2-CG 4.39Å; F302-L341 HydrophobicContact CZ-CD1 4.22Å
303E89.3Confident90.3Very high156 Ų15647.4 Ų47.473%0.72925%0.25SC*.Hα-helixtrans-62.1-43.7173-73.4-178.7174.700111.4L299 A300L299-E303 WeakPolarHBondContact O-CG 3.2Å; L299-E303 PolarHBondContact O-N 3.39Å; A300-E303 PolarHBondContact O-N 3.36Å
304A87.9Confident90.5Very high20 Ų2049.6 Ų49.617%0.16527%0.265CS..Hα-helixtrans-77.5-32.4-178.700000113.7A247 K251 A300 L301A247-A304 HydrophobicContact CB-CB 3.67Å; A247-A304 WeakPolarHBondContact O-CB 3.43Å; K251-A304 HydrophobicContact CB-CB 4.28Å; A300-A304 WeakPolarHBondContact O-CB 3.37Å; A300-A304 PolarHBondContact O-N 2.82Å; L301-A304 PolarHBondContact O-N 2.79Å
305C89Confident90.6Very high9 Ų952.4 Ų52.46%0.06128%0.278CS..  trans-131.974.7-179-64.60000111.8L301 F302 S307 L308L301-C305 WeakPolarHBondContact O-CB 3.22Å; L301-C305 PolarHBondContact O-N 3.2Å; F302-C305 CarbonylContact O-C 3.04Å; C305-S307 PolarHBondContact O-N 2.84Å; C305-S307 VanDerWaalsContact O-N 3.1Å; C305-L308 HydrophobicContact CB-CB 4.5Å; C305-L308 HydrophobicContact CB-CD1 3.66Å; C305-L308 HydrophobicContact CB-CG 4.29Å; C305-L308 PolarHBondContact O-N 3.43Å
306P88.3Confident90.7Very high91 Ų9151.9 Ų51.959%0.59127%0.274SS*.THydrogen-bonded Turntrans-59.2-28.9-175.4-26.435.2000114.4F302 L308 R309F302-P306 VanDerWaalsContact O-CA 3.29Å; F302-P306 WeakPolarHBondContact O-CA 3.38Å; P306-L308 PolarHBondContact O-N 3.21Å; P306-R309 WeakPolarHBondContact O-CB 3.32Å; P306-R309 PolarHBondContact O-N 2.92Å
307S87.7Confident90.8Very high95 Ų9550.2 Ų50.266%0.66427%0.268SS*.THydrogen-bonded Turntrans-64-22.6179.158.40000113.9C305C305-S307 PolarHBondContact O-N 2.84Å; C305-S307 VanDerWaalsContact O-N 3.1Å
308L87.4Confident90.9Very high16 Ų1652.9 Ų52.98%0.08429%0.291CS..Hα-helixtrans-85.5-13.1179.5-72.1166.6000113.3R257 C305 P306 T310 E311 I312R257-L308 HydrophobicContact CG-CD1 3.83Å; C305-L308 HydrophobicContact CB-CB 4.5Å; C305-L308 HydrophobicContact CB-CD1 3.66Å; C305-L308 HydrophobicContact CB-CG 4.29Å; C305-L308 PolarHBondContact O-N 3.43Å; P306-L308 PolarHBondContact O-N 3.21Å; L308-T310 PolarHBondContact O-N 3.12Å; L308-E311 PolarHBondContact O-N 3.5Å; L308-I312 HydrophobicContact CB-CD1 3.96Å; L308-I312 WeakPolarHBondContact O-CB 3.34Å; L308-I312 WeakPolarHBondContact O-CG1 3.45Å; L308-I312 PolarHBondContact O-N 3.13Å
309R91Very high90.9Very high105 Ų10557.2 Ų57.240%0.39631%0.307SS..Hα-helixtrans-58.3-50.7-174.1-178.9175.4-179.7154.210.2111.4F302 P306 I312 E313F302-R309 HydrophobicContact CD1-CB 4.12Å; F302-R309 HydrophobicContact CD1-CG 4.38Å; F302-R309 HydrophobicContact CD2-CB 4.49Å; F302-R309 HydrophobicContact CD2-CG 3.93Å; F302-R309 HydrophobicContact CE1-CB 4.45Å; F302-R309 HydrophobicContact CE2-CG 4.06Å; F302-R309 HydrophobicContact CG-CB 4.15Å; F302-R309 HydrophobicContact CG-CG 4.09Å; F302-R309 HydrophobicContact CZ-CG 4.37Å; P306-R309 WeakPolarHBondContact O-CB 3.32Å; P306-R309 PolarHBondContact O-N 2.92Å; R309-I312 PolarHBondContact O-N 3.25Å; R309-E313 HydrophobicContact CG-CG 4.3Å; R309-E313 WeakPolarHBondContact CG-OE1 3.2Å; R309-E313 IonicContact CZ-OE1 3.77Å; R309-E313 IonicContact NE-OE1 3.05Å; R309-E313 PolarHBondContact NE-OE1 3.39Å; R309-E313 IonicContact NH2-OE1 3.82Å; R309-E313 PolarHBondContact NH2-OE1 2.96Å; R309-E313 VanDerWaalsContact O-CB 3.29Å; R309-E313 WeakPolarHBondContact O-CB 3.18Å; R309-E313 VanDerWaalsContact O-CG 3.27Å; R309-E313 WeakPolarHBondContact O-CG 3.38Å; R309-E313 PolarHBondContact O-N 3.35Å
310T90.4Very high91Very high91 Ų9156.4 Ų56.456%0.55830%0.299SS*.Hα-helixtrans-63.5-45.2-178.551.20000111.5L308 I312 E313 D314L308-T310 PolarHBondContact O-N 3.12Å; T310-I312 PolarHBondContact O-N 3.08Å; T310-E313 PolarHBondContact O-N 2.98Å; T310-D314 VanDerWaalsContact O-CB 3.32Å; T310-D314 WeakPolarHBondContact O-CB 3.23Å; T310-D314 PolarHBondContact O-N 2.88Å
311E91.4Very high91.1Very high118 Ų11860.3 Ų60.355%0.55132%0.318SS*.Hα-helixtrans-61.8-44.8179.4-175.7-176.2171.600112.1L308 E315L308-E311 PolarHBondContact O-N 3.5Å; E311-E315 PolarHBondContact O-N 3.44Å
312I90.8Very high91.1Very high6 Ų664.3 Ų64.33%0.03135%0.351CS..Hα-helixtrans-70.4-42.2179.5-68.4172.3000110.7Y298 L301 F302 L308 R309 T310 E315 L316Y298-I312 HydrophobicContact CD1-CG2 4.11Å; Y298-I312 HydrophobicContact CE1-CG2 3.79Å; L301-I312 HydrophobicContact CD2-CD1 3.87Å; F302-I312 HydrophobicContact CE1-CB 3.81Å; F302-I312 HydrophobicContact CE1-CD1 3.83Å; F302-I312 HydrophobicContact CE1-CG1 4.38Å; F302-I312 HydrophobicContact CE1-CG2 3.81Å; F302-I312 HydrophobicContact CZ-CB 4.08Å; F302-I312 HydrophobicContact CZ-CG2 3.77Å; L308-I312 HydrophobicContact CB-CD1 3.96Å; L308-I312 WeakPolarHBondContact O-CB 3.34Å; L308-I312 WeakPolarHBondContact O-CG1 3.45Å; L308-I312 PolarHBondContact O-N 3.13Å; R309-I312 PolarHBondContact O-N 3.25Å; T310-I312 PolarHBondContact O-N 3.08Å; I312-E315 PolarHBondContact O-N 3.47Å; I312-L316 HydrophobicContact CG2-CD1 3.91Å; I312-L316 HydrophobicContact CG2-CG 4.23Å; I312-L316 WeakPolarHBondContact O-CB 3.46Å; I312-L316 WeakPolarHBondContact O-CG 3.44Å; I312-L316 PolarHBondContact O-N 3.11Å
313E92.8Very high91.1Very high41 Ų4167 Ų6719%0.19237%0.366CS..Hα-helixtrans-61.4-42.9175.9-76.4178.7178.800111.5F302 R309 T310 E315 L316 N317 L338F302-E313 HydrophobicContact CE2-CG 4.46Å; F302-E313 HydrophobicContact CZ-CG 4.42Å; R309-E313 HydrophobicContact CG-CG 4.3Å; R309-E313 WeakPolarHBondContact CG-OE1 3.2Å; R309-E313 IonicContact CZ-OE1 3.77Å; R309-E313 IonicContact NE-OE1 3.05Å; R309-E313 PolarHBondContact NE-OE1 3.39Å; R309-E313 IonicContact NH2-OE1 3.82Å; R309-E313 PolarHBondContact NH2-OE1 2.96Å; R309-E313 VanDerWaalsContact O-CB 3.29Å; R309-E313 WeakPolarHBondContact O-CB 3.18Å; R309-E313 VanDerWaalsContact O-CG 3.27Å; R309-E313 WeakPolarHBondContact O-CG 3.38Å; R309-E313 PolarHBondContact O-N 3.35Å; T310-E313 PolarHBondContact O-N 2.98Å; E313-E315 PolarHBondContact O-N 2.95Å; E313-L316 PolarHBondContact O-N 3.47Å; E313-N317 VanDerWaalsContact O-CB 3.28Å; E313-N317 WeakPolarHBondContact O-CB 3.37Å; E313-N317 PolarHBondContact O-N 3.37Å; E313-L338 HydrophobicContact CB-CD2 4.3Å; E313-L338 HydrophobicContact CG-CD2 4.28Å
314D92.9Very high91.1Very high111 Ų11161.8 Ų61.859%0.59435%0.354SS*.Hα-helixtrans-62.3-42.3176.4-73.5-22.2000111.4T310 N317 A318T310-D314 VanDerWaalsContact O-CB 3.32Å; T310-D314 WeakPolarHBondContact O-CB 3.23Å; T310-D314 PolarHBondContact O-N 2.88Å; D314-N317 PolarHBondContact O-N 3.3Å; D314-A318 WeakPolarHBondContact O-CB 3.31Å; D314-A318 PolarHBondContact O-N 3.17Å
315E92.9Very high91.3Very high58 Ų5864.3 Ų64.327%0.27137%0.365SS..Hα-helixtrans-69-41.7177.8-168.4-176.8156.900112.6K265 E311 I312 E313 N317 A318 R319K265-E315 VanDerWaalsContact CE-CD 3.49Å; K265-E315 WeakPolarHBondContact CE-OE1 3.45Å; K265-E315 WeakPolarHBondContact CE-OE2 3.35Å; K265-E315 IonicContact NZ-OE1 3.04Å; K265-E315 PolarHBondContact NZ-OE1 3.4Å; K265-E315 IonicContact NZ-OE2 2.84Å; K265-E315 PolarHBondContact NZ-OE2 3.28Å; E311-E315 PolarHBondContact O-N 3.44Å; I312-E315 PolarHBondContact O-N 3.47Å; E313-E315 PolarHBondContact O-N 2.95Å; E315-N317 VanDerWaalsContact C-N 3.26Å; E315-N317 PolarHBondContact O-N 2.74Å; E315-A318 PolarHBondContact O-N 3.3Å; E315-R319 WeakPolarHBondContact O-CG 3.43Å; E315-R319 PolarHBondContact O-N 3.12Å; E315-R319 VanDerWaalsContact O-N 3.08Å; E315-R319 IonicContact OE1-NE 3.38Å; E315-R319 IonicContact OE1-NH2 2.93Å; E315-R319 PolarHBondContact OE1-NH2 2.89Å
316L92.8Very high91.3Very high4 Ų468.1 Ų68.12%0.02138%0.38CS..Hα-helixtrans-61.2-39.4173.9-70.1173.4000110.5I312 E313 R319 R320 W334 I337 L338 L341I312-L316 HydrophobicContact CG2-CD1 3.91Å; I312-L316 HydrophobicContact CG2-CG 4.23Å; I312-L316 WeakPolarHBondContact O-CB 3.46Å; I312-L316 WeakPolarHBondContact O-CG 3.44Å; I312-L316 PolarHBondContact O-N 3.11Å; E313-L316 PolarHBondContact O-N 3.47Å; L316-R319 PolarHBondContact O-N 3.12Å; L316-R320 PolarHBondContact O-N 3.34Å; L316-W334 HydrophobicContact CD2-CE3 3.56Å; L316-W334 HydrophobicContact CD2-CZ3 4.06Å; L316-I337 HydrophobicContact CD1-CG2 4Å; L316-L338 HydrophobicContact CB-CD1 4.12Å; L316-L338 HydrophobicContact CB-CD2 3.9Å; L316-L338 HydrophobicContact CB-CG 3.9Å; L316-L338 HydrophobicContact CD1-CD2 4.23Å; L316-L341 HydrophobicContact CD1-CD1 4.04Å
317N93Very high91Very high47 Ų4769.7 Ų69.725%0.25138%0.384SS..Hα-helixtrans-68-40.3177.7-169.854.7000111.8E313 D314 E315 R319 R320 I321 L338E313-N317 VanDerWaalsContact O-CB 3.28Å; E313-N317 WeakPolarHBondContact O-CB 3.37Å; E313-N317 PolarHBondContact O-N 3.37Å; D314-N317 PolarHBondContact O-N 3.3Å; E315-N317 VanDerWaalsContact C-N 3.26Å; E315-N317 PolarHBondContact O-N 2.74Å; N317-R319 VanDerWaalsContact C-N 3.26Å; N317-R319 PolarHBondContact O-N 3.01Å; N317-R320 WeakPolarHBondContact O-CB 3.48Å; N317-R320 PolarHBondContact O-N 3.18Å; N317-R320 PolarHBondContact OD1-NE 3.01Å; N317-I321 WeakPolarHBondContact O-CG1 3.3Å; N317-I321 PolarHBondContact O-N 3.42Å; N317-L338 HydrophobicContact CB-CD1 4.09Å
318A94.3Very high91Very high58 Ų5869.7 Ų69.748%0.47938%0.38SS..Hα-helixtrans-59.4-38.1173.500000112.1D314 E315 I321 A322D314-A318 WeakPolarHBondContact O-CB 3.31Å; D314-A318 PolarHBondContact O-N 3.17Å; E315-A318 PolarHBondContact O-N 3.3Å; A318-I321 PolarHBondContact O-N 3.24Å; A318-A322 PolarHBondContact O-N 3.33Å
319R92.4Very high91Very high93 Ų9377.6 Ų77.635%0.35141%0.409SS..Hα-helixtrans-70.3-40.1174.8-68.3176.8-179.5-83.5-5.5112.7E315 L316 N317 I321 A322 D323 W334E315-R319 WeakPolarHBondContact O-CG 3.43Å; E315-R319 PolarHBondContact O-N 3.12Å; E315-R319 VanDerWaalsContact O-N 3.08Å; E315-R319 IonicContact OE1-NE 3.38Å; E315-R319 IonicContact OE1-NH2 2.93Å; E315-R319 PolarHBondContact OE1-NH2 2.89Å; L316-R319 PolarHBondContact O-N 3.12Å; N317-R319 VanDerWaalsContact C-N 3.26Å; N317-R319 PolarHBondContact O-N 3.01Å; R319-I321 VanDerWaalsContact C-N 3.29Å; R319-I321 PolarHBondContact O-N 2.74Å; R319-A322 WeakPolarHBondContact O-CB 3.4Å; R319-A322 PolarHBondContact O-N 3.03Å; R319-A322 VanDerWaalsContact O-N 3.16Å; R319-D323 PolarHBondContact O-N 2.86Å; R319-W334 HydrophobicContact CB-CB 4.2Å; R319-W334 HydrophobicContact CB-CD2 3.85Å; R319-W334 HydrophobicContact CB-CG 3.61Å; R319-W334 HydrophobicContact CG-CD2 4.5Å
320R93.3Very high90.8Very high43 Ų4373.1 Ų73.116%0.16240%0.396CS..Hα-helixtrans-56.4-44.8171.6-173.9-170.477.1143.68.7111.4L316 N317 A322 D323 G324 D325 D327 W334L316-R320 PolarHBondContact O-N 3.34Å; N317-R320 WeakPolarHBondContact O-CB 3.48Å; N317-R320 PolarHBondContact O-N 3.18Å; N317-R320 PolarHBondContact OD1-NE 3.01Å; R320-A322 VanDerWaalsContact C-N 3.34Å; R320-D323 PolarHBondContact O-N 3.29Å; R320-G324 PolarHBondContact O-N 3.15Å; R320-D325 IonicContact CZ-OD1 3.39Å; R320-D325 IonicContact NE-OD1 2.76Å; R320-D325 PolarHBondContact NE-OD1 2.99Å; R320-D325 VanDerWaalsContact NE-OD1 3.11Å; R320-D325 IonicContact NH2-OD1 3.1Å; R320-D325 PolarHBondContact NH2-OD1 3.2Å; R320-D325 IonicContact NH2-OD2 2.95Å; R320-D325 WeakPolarHBondContact O-CA 3.3Å; R320-D325 PolarHBondContact O-N 2.84Å; R320-D327 IonicContact CZ-OD1 2.84Å; R320-D327 IonicContact NH1-OD1 3.13Å; R320-D327 PolarHBondContact NH1-OD1 2.67Å; R320-W334 HydrophobicContact CB-CB 4.3Å
321I93.2Very high90.7Very high92 Ų9273.3 Ų73.347%0.47239%0.392SS..Hα-helixtrans-63.3-42.4176.8-66.8164.4000110.5N317 A318 R319 D323 G324 D325N317-I321 WeakPolarHBondContact O-CG1 3.3Å; N317-I321 PolarHBondContact O-N 3.42Å; A318-I321 PolarHBondContact O-N 3.24Å; R319-I321 VanDerWaalsContact C-N 3.29Å; R319-I321 PolarHBondContact O-N 2.74Å; I321-D323 VanDerWaalsContact C-N 3.28Å; I321-D323 PolarHBondContact O-N 2.95Å; I321-G324 PolarHBondContact O-N 3.35Å; I321-D325 HydrophobicContact CG1-CB 4.48Å; I321-D325 WeakPolarHBondContact CG1-OD1 3.43Å; I321-D325 PolarHBondContact O-N 2.82Å
322A92.2Very high90.8Very high85 Ų8567.8 Ų67.870%0.70237%0.367SS*.Hα-helixtrans-63-32.717700000113.1A318 R319 R320 G324A318-A322 PolarHBondContact O-N 3.33Å; R319-A322 WeakPolarHBondContact O-CB 3.4Å; R319-A322 PolarHBondContact O-N 3.03Å; R319-A322 VanDerWaalsContact O-N 3.16Å; R320-A322 VanDerWaalsContact C-N 3.34Å; A322-G324 PolarHBondContact O-N 3.24Å
323D90.3Very high90.8Very high68 Ų6867.8 Ų67.836%0.36437%0.367SS..THydrogen-bonded Turntrans-72.6-10.5174-75.31.7000113.1R319 R320 I321 F326 S332 W334R319-D323 PolarHBondContact O-N 2.86Å; R320-D323 PolarHBondContact O-N 3.29Å; I321-D323 VanDerWaalsContact C-N 3.28Å; I321-D323 PolarHBondContact O-N 2.95Å; D323-F326 WeakPolarHBondContact O-CD2 3.42Å; D323-F326 WeakPolarHBondContact O-CE2 3.48Å; D323-S332 WeakPolarHBondContact OD2-CB 3.22Å; D323-S332 PolarHBondContact OD2-OG 3.43Å; D323-W334 PolarHBondContact OD2-NE1 3.46Å
324G90.3Very high90.9Very high46 Ų4666.5 Ų66.547%0.47436%0.361SS..THydrogen-bonded Turntrans117.711.5-179.300000115R320 I321 A322 F326R320-G324 PolarHBondContact O-N 3.15Å; I321-G324 PolarHBondContact O-N 3.35Å; A322-G324 PolarHBondContact O-N 3.24Å; G324-F326 VanDerWaalsContact C-N 3.28Å; G324-F326 PolarHBondContact O-N 3.14Å
325D91.9Very high90.8Very high73 Ų7361.5 Ų61.539%0.3934%0.335SS..  trans55.739.5178.2-154.336.7000113.6R320 I321 D327R320-D325 IonicContact CZ-OD1 3.39Å; R320-D325 IonicContact NE-OD1 2.76Å; R320-D325 PolarHBondContact NE-OD1 2.99Å; R320-D325 VanDerWaalsContact NE-OD1 3.11Å; R320-D325 IonicContact NH2-OD1 3.1Å; R320-D325 PolarHBondContact NH2-OD1 3.2Å; R320-D325 IonicContact NH2-OD2 2.95Å; R320-D325 WeakPolarHBondContact O-CA 3.3Å; R320-D325 PolarHBondContact O-N 2.84Å; I321-D325 HydrophobicContact CG1-CB 4.48Å; I321-D325 WeakPolarHBondContact CG1-OD1 3.43Å; I321-D325 PolarHBondContact O-N 2.82Å; D325-D327 PolarHBondContact O-N 3.18Å
326F87.6Confident90.8Very high89 Ų8959.4 Ų59.439%0.3933%0.326SS..  trans-71.7128.9-179.6-62.5-63.7000111.8D323 G324 L331D323-F326 WeakPolarHBondContact O-CD2 3.42Å; D323-F326 WeakPolarHBondContact O-CE2 3.48Å; G324-F326 VanDerWaalsContact C-N 3.28Å; G324-F326 PolarHBondContact O-N 3.14Å; F326-L331 HydrophobicContact CB-CB 3.81Å; F326-L331 HydrophobicContact CB-CD1 4.12Å; F326-L331 HydrophobicContact CD1-CD1 3.74Å; F326-L331 HydrophobicContact CD2-CB 3.85Å; F326-L331 HydrophobicContact CD2-CD1 4.47Å; F326-L331 HydrophobicContact CE1-CD1 4.26Å; F326-L331 HydrophobicContact CG-CB 3.83Å; F326-L331 HydrophobicContact CG-CD1 3.87Å
327D82.6Confident90.7Very high124 Ų12459.2 Ų59.266%0.66333%0.325SS*.  trans-94.5-0.3171.4-70.4-36.5000113R320 D325R320-D327 IonicContact CZ-OD1 2.84Å; R320-D327 IonicContact NH1-OD1 3.13Å; R320-D327 PolarHBondContact NH1-OD1 2.67Å; D325-D327 PolarHBondContact O-N 3.18Å
328V86.9Confident90.7Very high96 Ų9657.2 Ų57.258%0.58231%0.314SS*.SBendtrans-94.1133.8-179.4-176.20000110.2L331V328-L331 HydrophobicContact CB-CD1 3.89Å; V328-L331 HydrophobicContact CB-CG 4.37Å; V328-L331 HydrophobicContact CG1-CD1 4.4Å; V328-L331 PolarHBondContact O-N 2.61Å
329R87.3Confident90.5Very high181 Ų18158.3 Ų58.368%0.68331%0.312SS*.THydrogen-bonded Turntrans-58.2141.7177.7-76.7-163.7-87.7177.1-4.7112.6L331 D336R329-L331 VanDerWaalsContact C-N 3.31Å; R329-L331 PolarHBondContact O-N 2.92Å; R329-D336 WeakPolarHBondContact CA-OD1 3.35Å; R329-D336 WeakPolarHBondContact CG-OD1 3.3Å
330G87.3Confident90.3Very high12 Ų1255 Ų5512%0.12430%0.304CS..THydrogen-bonded Turntrans81.9-0.417700000116Y273 D336Y273-G330 WeakPolarHBondContact CB-O 3.46Å; G330-D336 PolarHBondContact N-OD2 3.15Å
331L88.9Confident90.1Very high94 Ų9453 Ų5349%0.49230%0.296SS..THydrogen-bonded Turntrans-95.5-31.8175.2-61.9-174.9000113.1F326 V328 R329F326-L331 HydrophobicContact CB-CB 3.81Å; F326-L331 HydrophobicContact CB-CD1 4.12Å; F326-L331 HydrophobicContact CD1-CD1 3.74Å; F326-L331 HydrophobicContact CD2-CB 3.85Å; F326-L331 HydrophobicContact CD2-CD1 4.47Å; F326-L331 HydrophobicContact CE1-CD1 4.26Å; F326-L331 HydrophobicContact CG-CB 3.83Å; F326-L331 HydrophobicContact CG-CD1 3.87Å; V328-L331 HydrophobicContact CB-CD1 3.89Å; V328-L331 HydrophobicContact CB-CG 4.37Å; V328-L331 HydrophobicContact CG1-CD1 4.4Å; V328-L331 PolarHBondContact O-N 2.61Å; R329-L331 VanDerWaalsContact C-N 3.31Å; R329-L331 PolarHBondContact O-N 2.92Å
332S92.5Very high89.6Confident2 Ų256.5 Ų56.51%0.01430%0.304CS..  trans-138.6121.9173.7179.20000110.2D323 W334 G335 D336D323-S332 WeakPolarHBondContact OD2-CB 3.22Å; D323-S332 PolarHBondContact OD2-OG 3.43Å; S332-W334 PolarHBondContact O-N 2.99Å; S332-W334 PolarHBondContact OG-N 3.2Å; S332-G335 PolarHBondContact O-N 3.39Å; S332-D336 PolarHBondContact O-N 3.43Å; S332-D336 VanDerWaalsContact O-N 3.14Å
333V92.1Very high88.2Confident7 Ų762.7 Ų62.74%0.04232%0.315CS..Hα-helixtrans-61.1-35.5177.365.90000110.9A268 M271 W280 F291 D336 I337A268-V333 HydrophobicContact CB-CG1 4.39Å; A268-V333 HydrophobicContact CB-CG2 4.32Å; A268-V333 WeakPolarHBondContact O-CG1 3.25Å; M271-V333 HydrophobicContact CB-CG2 4.35Å; W280-V333 HydrophobicContact CD2-CB 3.87Å; W280-V333 HydrophobicContact CD2-CG2 3.8Å; W280-V333 HydrophobicContact CE3-CB 3.77Å; W280-V333 HydrophobicContact CE3-CG2 3.92Å; W280-V333 HydrophobicContact CG-CG2 4.13Å; W280-V333 HydrophobicContact CH2-CB 3.79Å; W280-V333 VanDerWaalsContact CH2-N 3.27Å; W280-V333 HydrophobicContact CZ2-CB 3.89Å; W280-V333 HydrophobicContact CZ3-CB 3.72Å; W280-V333 HydrophobicContact CZ3-CG2 4.39Å; F291-V333 HydrophobicContact CE2-CG2 4.45Å; V333-D336 PolarHBondContact O-N 3.48Å; V333-I337 HydrophobicContact CG2-CD1 4.01Å; V333-I337 HydrophobicContact CG2-CG1 4.43Å; V333-I337 VanDerWaalsContact O-CG1 3.23Å; V333-I337 WeakPolarHBondContact O-CG1 3.44Å; V333-I337 PolarHBondContact O-N 2.74Å
334W93.4Very high88.1Confident14 Ų1462.4 Ų62.45%0.05331%0.312CS..Hα-helixtrans-67.8-40.5-180-42.9110.6000111.8K265 A268 L316 R319 R320 D323 S332 D336 I337 L338K265-W334 HydrophobicContact CB-CH2 4.44Å; K265-W334 VanDerWaalsContact O-CH2 3.29Å; K265-W334 WeakPolarHBondContact O-CH2 2.93Å; A268-W334 HydrophobicContact CB-CE3 3.97Å; A268-W334 HydrophobicContact CB-CH2 3.68Å; A268-W334 HydrophobicContact CB-CZ3 3.35Å; L316-W334 HydrophobicContact CD2-CE3 3.56Å; L316-W334 HydrophobicContact CD2-CZ3 4.06Å; R319-W334 HydrophobicContact CB-CB 4.2Å; R319-W334 HydrophobicContact CB-CD2 3.85Å; R319-W334 HydrophobicContact CB-CG 3.61Å; R319-W334 HydrophobicContact CG-CD2 4.5Å; R320-W334 HydrophobicContact CB-CB 4.3Å; D323-W334 PolarHBondContact OD2-NE1 3.46Å; S332-W334 PolarHBondContact O-N 2.99Å; S332-W334 PolarHBondContact OG-N 3.2Å; W334-D336 VanDerWaalsContact C-N 3.35Å; W334-I337 PolarHBondContact O-N 3.24Å; W334-L338 WeakPolarHBondContact O-CB 3.28Å; W334-L338 WeakPolarHBondContact O-CG 3.16Å; W334-L338 PolarHBondContact O-N 3.06Å
335G91.4Very high87.9Confident6 Ų663.3 Ų63.36%0.06230%0.304CS..Hα-helixtrans-61.2-44.3173.400000111.9S332 L338 L339S332-G335 PolarHBondContact O-N 3.39Å; G335-L338 PolarHBondContact O-N 2.84Å; G335-L339 WeakPolarHBondContact O-CG 3.44Å; G335-L339 PolarHBondContact O-N 2.7Å
336D92.6Very high87.7Confident13 Ų1362.7 Ų62.77%0.0730%0.299CS..Hα-helixtrans-69.9-36.4-179.7-73.9-2.4000112.8W280 F291 R329 G330 S332 V333 W334 L339 A340W280-D336 PolarHBondContact NE1-OD2 3.1Å; F291-D336 HydrophobicContact CE2-CB 4.38Å; F291-D336 HydrophobicContact CZ-CB 4.07Å; R329-D336 WeakPolarHBondContact CA-OD1 3.35Å; R329-D336 WeakPolarHBondContact CG-OD1 3.3Å; G330-D336 PolarHBondContact N-OD2 3.15Å; S332-D336 PolarHBondContact O-N 3.43Å; S332-D336 VanDerWaalsContact O-N 3.14Å; V333-D336 PolarHBondContact O-N 3.48Å; W334-D336 VanDerWaalsContact C-N 3.35Å; D336-L339 PolarHBondContact O-N 3.37Å; D336-A340 WeakPolarHBondContact O-CB 3.4Å; D336-A340 PolarHBondContact O-N 3.1Å
337I91.9Very high87.7Confident0 Ų061.2 Ų61.20%029%0.294CS..Hα-helixtrans-61.2-49.2170.6-69.7167000109.9A268 F291 M294 Y298 L316 V333 W334 L339 A340 L341A268-I337 HydrophobicContact CB-CD1 3.71Å; F291-I337 HydrophobicContact CE2-CG1 3.66Å; F291-I337 HydrophobicContact CZ-CG1 4.13Å; M294-I337 HydrophobicContact SD-CD1 3.69Å; M294-I337 HydrophobicContact SD-CG1 4.46Å; Y298-I337 HydrophobicContact CD2-CG2 4.14Å; Y298-I337 HydrophobicContact CE2-CD1 4.45Å; Y298-I337 HydrophobicContact CE2-CG2 4.16Å; L316-I337 HydrophobicContact CD1-CG2 4Å; V333-I337 HydrophobicContact CG2-CD1 4.01Å; V333-I337 HydrophobicContact CG2-CG1 4.43Å; V333-I337 VanDerWaalsContact O-CG1 3.23Å; V333-I337 WeakPolarHBondContact O-CG1 3.44Å; V333-I337 PolarHBondContact O-N 2.74Å; W334-I337 PolarHBondContact O-N 3.24Å; I337-L339 VanDerWaalsContact C-N 3.28Å; I337-L339 PolarHBondContact O-N 3.01Å; I337-A340 WeakPolarHBondContact O-CB 3.24Å; I337-A340 PolarHBondContact O-N 2.99Å; I337-L341 HydrophobicContact CG2-CD1 3.57Å; I337-L341 HydrophobicContact CG2-CG 4.17Å; I337-L341 VanDerWaalsContact O-CG 3.26Å; I337-L341 WeakPolarHBondContact O-CG 2.78Å; I337-L341 PolarHBondContact O-N 3.24Å
338L91.5Very high88.1Confident6 Ų657.3 Ų57.33%0.03127%0.27CS..Hα-helixtrans-58.3-40.4178-78.6168.3000112.3E313 L316 N317 W334 G335 A340 L341 R342E313-L338 HydrophobicContact CB-CD2 4.3Å; E313-L338 HydrophobicContact CG-CD2 4.28Å; L316-L338 HydrophobicContact CB-CD1 4.12Å; L316-L338 HydrophobicContact CB-CD2 3.9Å; L316-L338 HydrophobicContact CB-CG 3.9Å; L316-L338 HydrophobicContact CD1-CD2 4.23Å; N317-L338 HydrophobicContact CB-CD1 4.09Å; W334-L338 WeakPolarHBondContact O-CB 3.28Å; W334-L338 WeakPolarHBondContact O-CG 3.16Å; W334-L338 PolarHBondContact O-N 3.06Å; G335-L338 PolarHBondContact O-N 2.84Å; L338-A340 VanDerWaalsContact C-N 3.33Å; L338-L341 PolarHBondContact O-N 2.95Å; L338-R342 WeakPolarHBondContact O-CG 3.45Å; L338-R342 PolarHBondContact O-N 3.43Å
339L90.1Very high88.1Confident81 Ų8154.7 Ų54.742%0.42425%0.25SC..Hα-helixtrans-65.2-37.5175-72.7172.3000112G335 D336 I337G335-L339 WeakPolarHBondContact O-CG 3.44Å; G335-L339 PolarHBondContact O-N 2.7Å; D336-L339 PolarHBondContact O-N 3.37Å; I337-L339 VanDerWaalsContact C-N 3.28Å; I337-L339 PolarHBondContact O-N 3.01Å
340A89.8Confident88.2Confident22 Ų2245.6 Ų45.618%0.18222%0.219CC..Hα-helixtrans-70.3-33.5177.700000112.6F291 T295 D336 I337 L338 R342F291-A340 HydrophobicContact CE1-CB 4.34Å; F291-A340 HydrophobicContact CZ-CB 4.46Å; T295-A340 HydrophobicContact CG2-CB 3.7Å; D336-A340 WeakPolarHBondContact O-CB 3.4Å; D336-A340 PolarHBondContact O-N 3.1Å; I337-A340 WeakPolarHBondContact O-CB 3.24Å; I337-A340 PolarHBondContact O-N 2.99Å; L338-A340 VanDerWaalsContact C-N 3.33Å; A340-R342 VanDerWaalsContact C-N 3.35Å
341L87.9Confident88.3Confident2 Ų248.2 Ų48.21%0.0123%0.226CC..Hα-helixtrans-78.3-14179.9-65170.3000114.7T295 Y298 L299 F302 L316 I337 L338T295-L341 HydrophobicContact CG2-CD2 4.14Å; Y298-L341 HydrophobicContact CG-CD1 4.34Å; Y298-L341 HydrophobicContact CG-CD2 4.47Å; L299-L341 HydrophobicContact CD2-CD2 3.79Å; L299-L341 HydrophobicContact CG-CD2 3.86Å; F302-L341 HydrophobicContact CE2-CD1 3.86Å; F302-L341 HydrophobicContact CE2-CD2 4.16Å; F302-L341 HydrophobicContact CE2-CG 4.39Å; F302-L341 HydrophobicContact CZ-CD1 4.22Å; L316-L341 HydrophobicContact CD1-CD1 4.04Å; I337-L341 HydrophobicContact CG2-CD1 3.57Å; I337-L341 HydrophobicContact CG2-CG 4.17Å; I337-L341 VanDerWaalsContact O-CG 3.26Å; I337-L341 WeakPolarHBondContact O-CG 2.78Å; I337-L341 PolarHBondContact O-N 3.24Å; L338-L341 PolarHBondContact O-N 2.95Å
342R83Confident88.2Confident165 Ų16544.4 Ų44.462%0.62320%0.204SC*.THydrogen-bonded Turntrans-92.4-12.3177.6-73.6176.6-177.7178.73.7113.9L338 A340L338-R342 WeakPolarHBondContact O-CG 3.45Å; L338-R342 PolarHBondContact O-N 3.43Å; A340-R342 VanDerWaalsContact C-N 3.35Å
343K62.3Low87.8Confident215 Ų21548.3 Ų48.394%0.93522%0.221SC*.  trans-77.60172.9-69.8178.5-178.7176.80109.7

Retrieved 343 of 343 residues in 70.6 ms (Link to these results)

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