A0A077ZPB3_TRITR Loading...

PDEase I domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZPB3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 745 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
1M40.5Very low69Low237 Ų23784.2 Ų84.2100%1.16747%0.474SS*.  0100.10-75.5174.1174.500107.8L3M1-L3 PolarHBondContact O-N 3.45Å
2T41.7Very low70.3Confident145 Ų14591.8 Ų91.889%0.8949%0.49SS*.  trans-57.6109.8162.536.90000106.5N4T2-N4 PolarHBondContact O-N 2.79Å; T2-N4 VanDerWaalsContact O-N 3.11Å
3L54.5Low71.2Confident114 Ų11490.5 Ų90.560%0.59748%0.483SS*.  trans-53121175.8-81.4134.5000107.6M1 S5 F7 V8M1-L3 PolarHBondContact O-N 3.45Å; L3-S5 PolarHBondContact O-N 2.92Å; L3-F7 HydrophobicContact CD2-CD1 3.4Å; L3-F7 VanDerWaalsContact CD2-CD1 3.4Å; L3-F7 HydrophobicContact CD2-CE1 3.49Å; L3-F7 VanDerWaalsContact CD2-CE1 3.49Å; L3-V8 HydrophobicContact CB-CG2 3.66Å
4N68.3Low72.1Confident68 Ų6884.1 Ų84.136%0.36445%0.448SS..  trans-48.2127.1176.3178.9-7.6000108T2 N6 F7 V8 E34T2-N4 PolarHBondContact O-N 2.79Å; T2-N4 VanDerWaalsContact O-N 3.11Å; N4-N6 PolarHBondContact O-N 3.03Å; N4-N6 WeakPolarHBondContact OD1-CB 3.2Å; N4-N6 PolarHBondContact OD1-N 3.11Å; N4-F7 HydrophobicContact CB-CB 4.28Å; N4-F7 WeakPolarHBondContact O-CB 3.23Å; N4-F7 PolarHBondContact O-N 3.02Å; N4-V8 PolarHBondContact O-N 3.13Å; N4-V8 VanDerWaalsContact O-N 3.11Å; N4-E34 PolarHBondContact ND2-OE1 3.08Å; N4-E34 PolarHBondContact ND2-OE2 3.44Å
5S73.9Confident72.7Confident88 Ų8885.8 Ų85.862%0.61546%0.457SS*.Hα-helixtrans-51.7-32.9-18047.50000111.7L3 V8 A9L3-S5 PolarHBondContact O-N 2.92Å; S5-V8 PolarHBondContact O-N 3.08Å; S5-A9 WeakPolarHBondContact O-CB 3.46Å; S5-A9 PolarHBondContact O-N 3.3Å
6N74.8Confident73.4Confident76 Ų7686.7 Ų86.741%0.40647%0.467SS..Hα-helixtrans-69.1-39.2178.2-62.2-8000112.1N4 A9 L10 E34N4-N6 PolarHBondContact O-N 3.03Å; N4-N6 WeakPolarHBondContact OD1-CB 3.2Å; N4-N6 PolarHBondContact OD1-N 3.11Å; N6-A9 PolarHBondContact O-N 3.27Å; N6-L10 PolarHBondContact O-N 2.74Å; N6-E34 WeakPolarHBondContact CB-OE1 3.41Å; N6-E34 PolarHBondContact ND2-OE1 3.09Å
7F78.6Confident74Confident40 Ų4084.6 Ų84.618%0.17546%0.456CS..Hα-helixtrans-68.7-40175.6177.6-107.5000112.1L3 N4 A9 L10 L11 W30 I149L3-F7 HydrophobicContact CD2-CD1 3.4Å; L3-F7 VanDerWaalsContact CD2-CD1 3.4Å; L3-F7 HydrophobicContact CD2-CE1 3.49Å; L3-F7 VanDerWaalsContact CD2-CE1 3.49Å; N4-F7 HydrophobicContact CB-CB 4.28Å; N4-F7 WeakPolarHBondContact O-CB 3.23Å; N4-F7 PolarHBondContact O-N 3.02Å; F7-A9 VanDerWaalsContact C-N 3.31Å; F7-A9 PolarHBondContact O-N 2.64Å; F7-L10 HydrophobicContact CD2-CD2 4.47Å; F7-L10 WeakPolarHBondContact O-CB 3.26Å; F7-L10 PolarHBondContact O-N 3.4Å; F7-L11 HydrophobicContact CD1-CD1 4.08Å; F7-L11 HydrophobicContact CE1-CD1 3.4Å; F7-L11 VanDerWaalsContact CE1-CD1 3.4Å; F7-L11 HydrophobicContact CE1-CG 4.09Å; F7-L11 HydrophobicContact CE2-CD1 4.24Å; F7-L11 HydrophobicContact CE2-CD2 4.33Å; F7-L11 HydrophobicContact CE2-CG 4.08Å; F7-L11 HydrophobicContact CZ-CD1 3.51Å; F7-L11 HydrophobicContact CZ-CD2 4.17Å; F7-L11 HydrophobicContact CZ-CG 3.85Å; F7-L11 PolarHBondContact O-N 2.66Å; F7-W30 HydrophobicContact CD2-CZ2 4.36Å; F7-I149 HydrophobicContact CD2-CD1 3.83Å; F7-I149 HydrophobicContact CD2-CG2 4.19Å; F7-I149 HydrophobicContact CE2-CB 4.35Å; F7-I149 HydrophobicContact CE2-CD1 3.55Å; F7-I149 HydrophobicContact CE2-CG1 3.83Å; F7-I149 HydrophobicContact CE2-CG2 3.58Å; F7-I149 HydrophobicContact CZ-CD1 4.24Å; F7-I149 HydrophobicContact CZ-CG1 4.39Å
8V79.6Confident74.4Confident55 Ų5582.7 Ų82.733%0.33345%0.445SS..Hα-helixtrans-63.7-39.9174-1800000110.9L3 N4 S5 L11 R12L3-V8 HydrophobicContact CB-CG2 3.66Å; N4-V8 PolarHBondContact O-N 3.13Å; N4-V8 VanDerWaalsContact O-N 3.11Å; S5-V8 PolarHBondContact O-N 3.08Å; V8-L11 PolarHBondContact O-N 3.3Å; V8-R12 WeakPolarHBondContact O-CB 3.04Å; V8-R12 PolarHBondContact O-N 2.97Å
9A82.2Confident74.8Confident41 Ų4182.2 Ų82.234%0.33945%0.445SS..Hα-helixtrans-63.4-43.7174.700000111.7S5 N6 F7 R12 N13S5-A9 WeakPolarHBondContact O-CB 3.46Å; S5-A9 PolarHBondContact O-N 3.3Å; N6-A9 PolarHBondContact O-N 3.27Å; F7-A9 VanDerWaalsContact C-N 3.31Å; F7-A9 PolarHBondContact O-N 2.64Å; A9-R12 PolarHBondContact O-N 3.47Å; A9-N13 WeakPolarHBondContact O-CB 3.34Å; A9-N13 PolarHBondContact O-N 3.43Å; A9-N13 PolarHBondContact O-ND2 3.5Å
10L82.6Confident75.1Confident7 Ų779 Ų794%0.03743%0.427CS..Hα-helixtrans-57.7-51.3174.3175.470.2000111.4N6 F7 R12 N13 V14 R26 L27 W30 I149 L153N6-L10 PolarHBondContact O-N 2.74Å; F7-L10 HydrophobicContact CD2-CD2 4.47Å; F7-L10 WeakPolarHBondContact O-CB 3.26Å; F7-L10 PolarHBondContact O-N 3.4Å; L10-R12 PolarHBondContact O-N 3.34Å; L10-N13 WeakPolarHBondContact O-CA 3.47Å; L10-N13 WeakPolarHBondContact O-CB 3.3Å; L10-N13 PolarHBondContact O-N 2.75Å; L10-V14 HydrophobicContact CD1-CG2 3.78Å; L10-V14 HydrophobicContact CG-CG2 4.29Å; L10-V14 WeakPolarHBondContact O-CA 3.49Å; L10-V14 WeakPolarHBondContact O-CB 3.35Å; L10-V14 WeakPolarHBondContact O-CG2 3.4Å; L10-V14 PolarHBondContact O-N 2.96Å; L10-R26 HydrophobicContact CD1-CB 4.31Å; L10-L27 HydrophobicContact CD1-CD2 4.28Å; L10-L27 HydrophobicContact CD2-CD2 4.03Å; L10-W30 HydrophobicContact CB-CG 4.35Å; L10-W30 HydrophobicContact CD1-CB 3.92Å; L10-W30 HydrophobicContact CD1-CG 4.22Å; L10-W30 HydrophobicContact CD2-CB 4.37Å; L10-W30 HydrophobicContact CD2-CD2 3.64Å; L10-W30 HydrophobicContact CD2-CE3 3.91Å; L10-W30 HydrophobicContact CD2-CG 3.85Å; L10-W30 HydrophobicContact CD2-CZ2 4.46Å; L10-W30 HydrophobicContact CD2-CZ3 4.4Å; L10-W30 HydrophobicContact CG-CG 4.35Å; L10-I149 HydrophobicContact CD2-CG2 4.31Å; L10-L153 HydrophobicContact CD2-CD1 3.99Å; L10-L153 HydrophobicContact CG-CD1 4.36Å
11L82.8Confident75.5Confident55 Ų5577.8 Ų77.829%0.28842%0.422SS..Hα-helixtrans-62.3-41.4-179.5-75.2-178.8000112.3F7 V8 N13 V14 L15 L153F7-L11 HydrophobicContact CD1-CD1 4.08Å; F7-L11 HydrophobicContact CE1-CD1 3.4Å; F7-L11 VanDerWaalsContact CE1-CD1 3.4Å; F7-L11 HydrophobicContact CE1-CG 4.09Å; F7-L11 HydrophobicContact CE2-CD1 4.24Å; F7-L11 HydrophobicContact CE2-CD2 4.33Å; F7-L11 HydrophobicContact CE2-CG 4.08Å; F7-L11 HydrophobicContact CZ-CD1 3.51Å; F7-L11 HydrophobicContact CZ-CD2 4.17Å; F7-L11 HydrophobicContact CZ-CG 3.85Å; F7-L11 PolarHBondContact O-N 2.66Å; V8-L11 PolarHBondContact O-N 3.3Å; L11-N13 PolarHBondContact O-N 2.93Å; L11-V14 WeakPolarHBondContact O-CA 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CD1 3.42Å; L11-L15 WeakPolarHBondContact O-CG 3.22Å; L11-L15 PolarHBondContact O-N 3.47Å; L11-L153 HydrophobicContact CD2-CD1 4.36Å; L11-L153 HydrophobicContact CD2-CD2 3.97Å
12R83.9Confident77.6Confident176 Ų17668.6 Ų68.666%0.66438%0.378SS*.Hα-helixtrans-60.1-37.5174.2-171.6179.6-69.4162.1-1.4110.6V8 A9 L10 T16V8-R12 WeakPolarHBondContact O-CB 3.04Å; V8-R12 PolarHBondContact O-N 2.97Å; A9-R12 PolarHBondContact O-N 3.47Å; L10-R12 PolarHBondContact O-N 3.34Å; R12-T16 WeakPolarHBondContact O-CG2 3.32Å; R12-T16 PolarHBondContact O-N 2.95Å
13N82.6Confident79.7Confident75 Ų7561.7 Ų61.740%0.40134%0.336SS..Hα-helixtrans-72.9-76.2-174-81.7-20.5000114.4A9 L10 L11 L15 T16 R26A9-N13 WeakPolarHBondContact O-CB 3.34Å; A9-N13 PolarHBondContact O-N 3.43Å; A9-N13 PolarHBondContact O-ND2 3.5Å; L10-N13 WeakPolarHBondContact O-CA 3.47Å; L10-N13 WeakPolarHBondContact O-CB 3.3Å; L10-N13 PolarHBondContact O-N 2.75Å; L11-N13 PolarHBondContact O-N 2.93Å; N13-L15 PolarHBondContact O-N 3.34Å; N13-T16 WeakPolarHBondContact O-CB 3.22Å; N13-T16 PolarHBondContact O-N 3.04Å; N13-T16 PolarHBondContact O-OG1 3.26Å; N13-R26 VanDerWaalsContact C-CZ 3.48Å; N13-R26 PolarHBondContact O-NH1 3.05Å; N13-R26 PolarHBondContact O-NH2 3.29Å
14V83.4Confident81.2Confident0 Ų056.2 Ų56.20%031%0.307CS..Hα-helix55.1-114.5101.4-120.20000110.9L10 L11 T16 D17 L18 V23 R26 L153L10-V14 HydrophobicContact CD1-CG2 3.78Å; L10-V14 HydrophobicContact CG-CG2 4.29Å; L10-V14 WeakPolarHBondContact O-CA 3.49Å; L10-V14 WeakPolarHBondContact O-CB 3.35Å; L10-V14 WeakPolarHBondContact O-CG2 3.4Å; L10-V14 PolarHBondContact O-N 2.96Å; L11-V14 WeakPolarHBondContact O-CA 3.27Å; V14-T16 VanDerWaalsContact C-N 3.26Å; V14-T16 PolarHBondContact O-N 2.72Å; V14-D17 CarbonylContact O-C 3.59Å; V14-D17 PolarHBondContact O-N 2.97Å; V14-L18 HydrophobicContact CG1-CD2 4.11Å; V14-V23 HydrophobicContact CG1-CG1 4.41Å; V14-V23 HydrophobicContact CG1-CG2 3.93Å; V14-R26 HydrophobicContact CG2-CB 3.98Å; V14-R26 VanDerWaalsContact N-CD 3.33Å; V14-L153 HydrophobicContact CG1-CD2 4.05Å
15L81.5Confident82.1Confident110 Ų11056.1 Ų56.158%0.57630%0.303SS*.Hα-helixtrans-68.9-13.3-176.2-65.3167.2000114.9L11 N13 D17 L18L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CD1 3.42Å; L11-L15 WeakPolarHBondContact O-CG 3.22Å; L11-L15 PolarHBondContact O-N 3.47Å; N13-L15 PolarHBondContact O-N 3.34Å; L15-D17 VanDerWaalsContact C-N 3.33Å; L15-L18 HydrophobicContact CD2-CD2 4.47Å
16T83.9Confident82.6Confident100 Ų10055.1 Ų55.161%0.61329%0.286SS*.Hα-helixtrans-69.9-31.4172.765.10000112.7R12 N13 V14 R26R12-T16 WeakPolarHBondContact O-CG2 3.32Å; R12-T16 PolarHBondContact O-N 2.95Å; N13-T16 WeakPolarHBondContact O-CB 3.22Å; N13-T16 PolarHBondContact O-N 3.04Å; N13-T16 PolarHBondContact O-OG1 3.26Å; V14-T16 VanDerWaalsContact C-N 3.26Å; V14-T16 PolarHBondContact O-N 2.72Å; T16-R26 PolarHBondContact OG1-NH1 2.97Å; T16-R26 PolarHBondContact OG1-NH2 3.45Å
17D83.1Confident83.2Confident52 Ų5251.5 Ų51.528%0.27827%0.267SS..  trans-151102.5-179.5-172-19.6000110.5V14 L15 T19 N22V14-D17 CarbonylContact O-C 3.59Å; V14-D17 PolarHBondContact O-N 2.97Å; L15-D17 VanDerWaalsContact C-N 3.33Å; D17-T19 VanDerWaalsContact C-N 3.25Å; D17-T19 PolarHBondContact O-N 2.77Å; D17-T19 VanDerWaalsContact OD1-CB 3.23Å; D17-T19 WeakPolarHBondContact OD1-CB 3.4Å; D17-T19 WeakPolarHBondContact OD1-CG2 3.38Å; D17-T19 PolarHBondContact OD1-N 2.8Å; D17-T19 PolarHBondContact OD1-OG1 3.31Å; D17-T19 PolarHBondContact OD2-OG1 3.14Å; D17-N22 HydrophobicContact CB-CB 4.46Å; D17-N22 PolarHBondContact OD2-ND2 3.14Å
18L81.7Confident83.6Confident50 Ų5049.8 Ų49.826%0.26226%0.259SS..  trans-84.510.7-178.3-71.7166.6000113.4V14 L15 L20 L156 S157 V160V14-L18 HydrophobicContact CG1-CD2 4.11Å; L15-L18 HydrophobicContact CD2-CD2 4.47Å; L18-L20 PolarHBondContact O-N 3.24Å; L18-L156 HydrophobicContact CD2-CD2 3.98Å; L18-S157 PolarHBondContact O-OG 2.83Å; L18-V160 HydrophobicContact CD1-CG2 4.47Å
19T81.7Confident83.8Confident73 Ų7349.6 Ų49.645%0.44826%0.26SS..  trans-62.9136173.555.70000110.6D17 V21 N22 V23D17-T19 VanDerWaalsContact C-N 3.25Å; D17-T19 PolarHBondContact O-N 2.77Å; D17-T19 VanDerWaalsContact OD1-CB 3.23Å; D17-T19 WeakPolarHBondContact OD1-CB 3.4Å; D17-T19 WeakPolarHBondContact OD1-CG2 3.38Å; D17-T19 PolarHBondContact OD1-N 2.8Å; D17-T19 PolarHBondContact OD1-OG1 3.31Å; D17-T19 PolarHBondContact OD2-OG1 3.14Å; T19-V21 PolarHBondContact O-N 3.49Å; T19-V21 VanDerWaalsContact O-N 3.12Å; T19-N22 PolarHBondContact O-N 2.85Å; T19-N22 WeakPolarHBondContact OG1-CB 3.2Å; T19-N22 PolarHBondContact OG1-ND2 2.92Å; T19-V23 WeakPolarHBondContact O-CG2 3.32Å; T19-V23 PolarHBondContact O-N 3.35Å
20L81.1Confident84Confident18 Ų1848.3 Ų48.39%0.09425%0.247CC..Hα-helixtrans-53.2-40.9-173-172.166000113L18 V23 Q24 F44 S157 L158L18-L20 PolarHBondContact O-N 3.24Å; L20-V23 PolarHBondContact O-N 2.89Å; L20-Q24 WeakPolarHBondContact O-CB 3.47Å; L20-Q24 VanDerWaalsContact O-CG 3.27Å; L20-Q24 WeakPolarHBondContact O-CG 3.15Å; L20-Q24 PolarHBondContact O-N 2.9Å; L20-F44 HydrophobicContact CD1-CD2 4.41Å; L20-F44 HydrophobicContact CD1-CE1 4.42Å; L20-F44 HydrophobicContact CD1-CE2 3.68Å; L20-F44 HydrophobicContact CD1-CZ 3.71Å; L20-F44 HydrophobicContact CD2-CD2 3.84Å; L20-F44 HydrophobicContact CD2-CE2 3.69Å; L20-F44 HydrophobicContact CG-CD2 4.31Å; L20-F44 HydrophobicContact CG-CE2 3.64Å; L20-F44 HydrophobicContact CG-CZ 4.17Å; L20-S157 WeakPolarHBondContact CA-OG 3.42Å; L20-S157 PolarHBondContact N-OG 3.32Å; L20-L158 HydrophobicContact CD1-CD2 3.96Å; L20-L158 HydrophobicContact CD1-CG 4.18Å; L20-L158 HydrophobicContact CD2-CD2 3.95Å
21V83.9Confident84Confident53 Ų5348 Ų4832%0.32125%0.245SC..Hα-helixtrans-63.7-42.5178.4177.70000111.7T19 Q24 K25 V54 V59T19-V21 PolarHBondContact O-N 3.49Å; T19-V21 VanDerWaalsContact O-N 3.12Å; V21-Q24 PolarHBondContact O-N 3.04Å; V21-K25 WeakPolarHBondContact O-CG 3.38Å; V21-K25 PolarHBondContact O-N 2.98Å; V21-V54 HydrophobicContact CG1-CG2 4.02Å; V21-V59 HydrophobicContact CG1-CG1 4.33Å; V21-V59 HydrophobicContact CG1-CG2 3.8Å
22N84.7Confident84.1Confident44 Ų4449.4 Ų49.424%0.23525%0.25CS..Hα-helixtrans-75.5-35.4-179.3-77.4-21.5000112.2D17 T19 Q24 K25 R26D17-N22 HydrophobicContact CB-CB 4.46Å; D17-N22 PolarHBondContact OD2-ND2 3.14Å; T19-N22 PolarHBondContact O-N 2.85Å; T19-N22 WeakPolarHBondContact OG1-CB 3.2Å; T19-N22 PolarHBondContact OG1-ND2 2.92Å; N22-Q24 VanDerWaalsContact C-N 3.35Å; N22-K25 PolarHBondContact O-N 3Å; N22-R26 WeakPolarHBondContact O-CB 3.48Å; N22-R26 WeakPolarHBondContact O-CG 3.41Å; N22-R26 PolarHBondContact O-N 3.38Å
23V85.1Confident84Confident0 Ų046.2 Ų46.20%025%0.246CC..Hα-helixtrans-59.2-47.5170.3176.80000110V14 T19 L20 R26 L27 L153 I154V14-V23 HydrophobicContact CG1-CG1 4.41Å; V14-V23 HydrophobicContact CG1-CG2 3.93Å; T19-V23 WeakPolarHBondContact O-CG2 3.32Å; T19-V23 PolarHBondContact O-N 3.35Å; L20-V23 PolarHBondContact O-N 2.89Å; V23-R26 PolarHBondContact O-N 3.28Å; V23-L27 HydrophobicContact CG1-CD1 3.7Å; V23-L27 HydrophobicContact CG1-CG 4.32Å; V23-L27 VanDerWaalsContact O-CB 3.3Å; V23-L27 WeakPolarHBondContact O-CB 3.23Å; V23-L27 VanDerWaalsContact O-CG 3.25Å; V23-L27 WeakPolarHBondContact O-CG 3.45Å; V23-L27 PolarHBondContact O-N 3.38Å; V23-L153 HydrophobicContact CG1-CB 4.41Å; V23-I154 HydrophobicContact CG1-CG1 4.45Å
24Q86.2Confident83.9Confident0 Ų045.1 Ų45.10%024%0.239CC..Hα-helixtrans-58.3-50.2176.2-77.2179.3-70.400113L20 V21 N22 R26 L27 N28 F42 F44 V54L20-Q24 WeakPolarHBondContact O-CB 3.47Å; L20-Q24 VanDerWaalsContact O-CG 3.27Å; L20-Q24 WeakPolarHBondContact O-CG 3.15Å; L20-Q24 PolarHBondContact O-N 2.9Å; V21-Q24 PolarHBondContact O-N 3.04Å; N22-Q24 VanDerWaalsContact C-N 3.35Å; Q24-R26 VanDerWaalsContact C-N 3.35Å; Q24-R26 PolarHBondContact O-N 2.95Å; Q24-L27 PolarHBondContact O-N 3.42Å; Q24-N28 VanDerWaalsContact O-CB 3.31Å; Q24-N28 WeakPolarHBondContact O-CB 3.35Å; Q24-N28 VanDerWaalsContact O-CG 3.24Å; Q24-N28 PolarHBondContact O-N 3.49Å; Q24-N28 PolarHBondContact O-ND2 3.01Å; Q24-F42 HydrophobicContact CG-CB 4.49Å; Q24-F42 PolarHBondContact NE2-O 3.29Å; Q24-F44 VanDerWaalsContact CD-CZ 3.5Å; Q24-F44 HydrophobicContact CG-CE2 3.67Å; Q24-F44 HydrophobicContact CG-CZ 3.46Å; Q24-F44 VanDerWaalsContact CG-CZ 3.46Å; Q24-V54 HydrophobicContact CB-CB 3.92Å; Q24-V54 HydrophobicContact CB-CG1 4.15Å; Q24-V54 HydrophobicContact CB-CG2 3.98Å
25K86.5Confident83.6Confident65 Ų6546.6 Ų46.628%0.28325%0.247SC..Hα-helixtrans-58.2-46.8180-76.3-179.7178.4-176.30112.3V21 N22 N28 S29 V54 T57 V59V21-K25 WeakPolarHBondContact O-CG 3.38Å; V21-K25 PolarHBondContact O-N 2.98Å; N22-K25 PolarHBondContact O-N 3Å; K25-N28 PolarHBondContact O-N 3.31Å; K25-S29 WeakPolarHBondContact O-CB 3.34Å; K25-S29 PolarHBondContact O-N 3.1Å; K25-V54 HydrophobicContact CG-CG1 3.89Å; K25-T57 WeakPolarHBondContact CE-O 3.5Å; K25-V59 HydrophobicContact CD-CG2 4.41Å; K25-V59 VanDerWaalsContact NZ-CG2 3.28Å
26R85.6Confident83.4Confident68 Ų6845.7 Ų45.726%0.25724%0.242SC..Hα-helixtrans-70.1-39-177-66.8171.6-168.7-131.331.2111L10 N13 V14 T16 N22 V23 Q24 S29 W30L10-R26 HydrophobicContact CD1-CB 4.31Å; N13-R26 VanDerWaalsContact C-CZ 3.48Å; N13-R26 PolarHBondContact O-NH1 3.05Å; N13-R26 PolarHBondContact O-NH2 3.29Å; V14-R26 HydrophobicContact CG2-CB 3.98Å; V14-R26 VanDerWaalsContact N-CD 3.33Å; T16-R26 PolarHBondContact OG1-NH1 2.97Å; T16-R26 PolarHBondContact OG1-NH2 3.45Å; N22-R26 WeakPolarHBondContact O-CB 3.48Å; N22-R26 WeakPolarHBondContact O-CG 3.41Å; N22-R26 PolarHBondContact O-N 3.38Å; V23-R26 PolarHBondContact O-N 3.28Å; Q24-R26 VanDerWaalsContact C-N 3.35Å; Q24-R26 PolarHBondContact O-N 2.95Å; R26-S29 PolarHBondContact O-N 3.11Å; R26-W30 WeakPolarHBondContact O-CB 3.36Å; R26-W30 PolarHBondContact O-N 2.96Å
27L85.8Confident83.2Confident0 Ų040.9 Ų40.90%021%0.213CC..Hα-helixtrans-63.8-45.2172.4-76.1173.2000112.1L10 V23 Q24 S29 W30 L31 F42 A150 L153 I154L10-L27 HydrophobicContact CD1-CD2 4.28Å; L10-L27 HydrophobicContact CD2-CD2 4.03Å; V23-L27 HydrophobicContact CG1-CD1 3.7Å; V23-L27 HydrophobicContact CG1-CG 4.32Å; V23-L27 VanDerWaalsContact O-CB 3.3Å; V23-L27 WeakPolarHBondContact O-CB 3.23Å; V23-L27 VanDerWaalsContact O-CG 3.25Å; V23-L27 WeakPolarHBondContact O-CG 3.45Å; V23-L27 PolarHBondContact O-N 3.38Å; Q24-L27 PolarHBondContact O-N 3.42Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 3.08Å; L27-W30 PolarHBondContact O-N 3.29Å; L27-L31 WeakPolarHBondContact O-CG 3.44Å; L27-L31 PolarHBondContact O-N 3.06Å; L27-F42 HydrophobicContact CB-CE2 3.76Å; L27-F42 HydrophobicContact CB-CZ 4.15Å; L27-F42 HydrophobicContact CD1-CE2 4.33Å; L27-F42 HydrophobicContact CD1-CZ 4.25Å; L27-A150 HydrophobicContact CD1-CB 4.37Å; L27-A150 HydrophobicContact CD2-CB 4.18Å; L27-L153 HydrophobicContact CD1-CB 4.34Å; L27-L153 HydrophobicContact CD2-CD1 3.85Å; L27-I154 HydrophobicContact CD1-CD1 3.78Å; L27-I154 HydrophobicContact CD1-CG1 3.67Å
28N86.7Confident83.2Confident3 Ų342.9 Ų42.92%0.01622%0.219CC..Hα-helixtrans-62.9-40.3178-75.9-21.2000112Q24 K25 L31 H32 S40 F42 G56Q24-N28 VanDerWaalsContact O-CB 3.31Å; Q24-N28 WeakPolarHBondContact O-CB 3.35Å; Q24-N28 VanDerWaalsContact O-CG 3.24Å; Q24-N28 PolarHBondContact O-N 3.49Å; Q24-N28 PolarHBondContact O-ND2 3.01Å; K25-N28 PolarHBondContact O-N 3.31Å; N28-L31 PolarHBondContact O-N 3.41Å; N28-H32 WeakPolarHBondContact O-CB 3.36Å; N28-H32 PolarHBondContact O-N 3.39Å; N28-S40 VanDerWaalsContact CA-OG 3.27Å; N28-S40 WeakPolarHBondContact CA-OG 3.24Å; N28-S40 WeakPolarHBondContact CB-OG 3.27Å; N28-S40 PolarHBondContact ND2-O 3.23Å; N28-S40 PolarHBondContact OD1-O 3.2Å; N28-S40 PolarHBondContact OD1-OG 2.89Å; N28-F42 VanDerWaalsContact OD1-CD2 3.27Å; N28-F42 WeakPolarHBondContact OD1-CD2 3.41Å; N28-F42 VanDerWaalsContact OD1-CE2 3.24Å; N28-F42 WeakPolarHBondContact OD1-CE2 3.36Å; N28-G56 WeakPolarHBondContact CB-O 3.46Å; N28-G56 PolarHBondContact ND2-N 3.23Å; N28-G56 PolarHBondContact ND2-O 3.48Å
29S85.2Confident83.4Confident51 Ų5143.3 Ų43.336%0.35722%0.22SC..Hα-helixtrans-63.6-42.5173.6-168.30000111.8K25 R26 L27 H32 D33K25-S29 WeakPolarHBondContact O-CB 3.34Å; K25-S29 PolarHBondContact O-N 3.1Å; R26-S29 PolarHBondContact O-N 3.11Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 3.08Å; S29-H32 WeakPolarHBondContact O-CB 3.06Å; S29-H32 PolarHBondContact O-N 3.39Å; S29-D33 VanDerWaalsContact O-CG 3.27Å; S29-D33 PolarHBondContact O-N 3.06Å
30W85.5Confident83.7Confident14 Ų1439.9 Ų39.95%0.05320%0.199CC..Hα-helixtrans-66.7-38.4178.317772.8000112.7F7 L10 R26 L27 H32 D33 E34 H146 I149F7-W30 HydrophobicContact CD2-CZ2 4.36Å; L10-W30 HydrophobicContact CB-CG 4.35Å; L10-W30 HydrophobicContact CD1-CB 3.92Å; L10-W30 HydrophobicContact CD1-CG 4.22Å; L10-W30 HydrophobicContact CD2-CB 4.37Å; L10-W30 HydrophobicContact CD2-CD2 3.64Å; L10-W30 HydrophobicContact CD2-CE3 3.91Å; L10-W30 HydrophobicContact CD2-CG 3.85Å; L10-W30 HydrophobicContact CD2-CZ2 4.46Å; L10-W30 HydrophobicContact CD2-CZ3 4.4Å; L10-W30 HydrophobicContact CG-CG 4.35Å; R26-W30 WeakPolarHBondContact O-CB 3.36Å; R26-W30 PolarHBondContact O-N 2.96Å; L27-W30 PolarHBondContact O-N 3.29Å; W30-H32 VanDerWaalsContact C-N 3.34Å; W30-D33 PolarHBondContact O-N 3.49Å; W30-E34 HydrophobicContact CD2-CG 4.24Å; W30-E34 HydrophobicContact CG-CG 4.39Å; W30-E34 HydrophobicContact CZ2-CG 4.16Å; W30-E34 WeakPolarHBondContact O-CB 3.4Å; W30-E34 WeakPolarHBondContact O-CG 3.36Å; W30-E34 PolarHBondContact O-N 2.97Å; W30-H146 HydrophobicContact CH2-CB 3.77Å; W30-H146 AromaticContact CH2-CD2 3.06Å; W30-H146 WeakPolarHBondContact CH2-CD2 3.16Å; W30-H146 AromaticContact CH2-CG 3.61Å; W30-H146 AromaticContact CH2-NE2 3.99Å; W30-H146 AromaticContact CZ2-CD2 3.34Å; W30-H146 WeakPolarHBondContact CZ2-CD2 3.37Å; W30-H146 AromaticContact CZ2-NE2 3.87Å; W30-H146 HydrophobicContact CZ3-CB 3.86Å; W30-H146 AromaticContact CZ3-CD2 3.65Å; W30-I149 HydrophobicContact CH2-CB 4.36Å; W30-I149 HydrophobicContact CH2-CD1 4.09Å; W30-I149 HydrophobicContact CH2-CG2 4.08Å; W30-I149 HydrophobicContact CZ3-CG2 4.25Å
31L83.6Confident84.1Confident1 Ų139 Ų391%0.00519%0.194CC..Hα-helixtrans-66.7-35172.9-70.9172.9000112.2L27 N28 L35 C37 F42 L125 H146L27-L31 WeakPolarHBondContact O-CG 3.44Å; L27-L31 PolarHBondContact O-N 3.06Å; N28-L31 PolarHBondContact O-N 3.41Å; L31-L35 HydrophobicContact CD2-CD1 3.79Å; L31-L35 VanDerWaalsContact O-CB 3.3Å; L31-L35 WeakPolarHBondContact O-CB 3.4Å; L31-L35 PolarHBondContact O-N 3.22Å; L31-C37 PolarHBondContact O-SG 3.13Å; L31-F42 HydrophobicContact CD1-CE2 4.05Å; L31-F42 HydrophobicContact CD1-CZ 3.8Å; L31-L125 HydrophobicContact CD1-CD1 3.88Å; L31-L125 HydrophobicContact CD1-CD2 3.86Å; L31-H146 HydrophobicContact CD2-CB 4.22Å
32H84.1Confident84.2Confident84 Ų8436.5 Ų36.539%0.38918%0.179SC..Hα-helixtrans-59.7-47.4172.3-177.574.3000110.8N28 S29 W30 N36 C37N28-H32 WeakPolarHBondContact O-CB 3.36Å; N28-H32 PolarHBondContact O-N 3.39Å; S29-H32 WeakPolarHBondContact O-CB 3.06Å; S29-H32 PolarHBondContact O-N 3.39Å; W30-H32 VanDerWaalsContact C-N 3.34Å; H32-N36 WeakPolarHBondContact O-CA 3.22Å; H32-N36 PolarHBondContact O-N 3.2Å; H32-C37 PolarHBondContact CE1-O 3.06Å; H32-C37 VanDerWaalsContact CE1-O 3.3Å; H32-C37 PolarHBondContact ND1-O 3.43Å
33D82.3Confident84.1Confident110 Ų11034.4 Ų34.459%0.58817%0.168SC*.Hα-helixtrans-72.2-43-176.8-62.7-22.8000113.1S29 W30S29-D33 VanDerWaalsContact O-CG 3.27Å; S29-D33 PolarHBondContact O-N 3.06Å; W30-D33 PolarHBondContact O-N 3.49Å
34E80.7Confident83.7Confident52 Ų5234.9 Ų34.924%0.24317%0.17CC..Hα-helixtrans-80.1-35.1-176.6-67.2-70.614700113.5N4 N6 W30 H146N4-E34 PolarHBondContact ND2-OE1 3.08Å; N4-E34 PolarHBondContact ND2-OE2 3.44Å; N6-E34 WeakPolarHBondContact CB-OE1 3.41Å; N6-E34 PolarHBondContact ND2-OE1 3.09Å; W30-E34 HydrophobicContact CD2-CG 4.24Å; W30-E34 HydrophobicContact CG-CG 4.39Å; W30-E34 HydrophobicContact CZ2-CG 4.16Å; W30-E34 WeakPolarHBondContact O-CB 3.4Å; W30-E34 WeakPolarHBondContact O-CG 3.36Å; W30-E34 PolarHBondContact O-N 2.97Å; E34-H146 IonicContact OE2-NE2 3.23Å
35L77.4Confident83Confident31 Ų3136.6 Ų36.616%0.16218%0.178CC..Hα-helixtrans-101.8-4.9-176.8-57.8173.6000113.4L31 C37 I127 L143L31-L35 HydrophobicContact CD2-CD1 3.79Å; L31-L35 VanDerWaalsContact O-CB 3.3Å; L31-L35 WeakPolarHBondContact O-CB 3.4Å; L31-L35 PolarHBondContact O-N 3.22Å; L35-C37 HydrophobicContact CB-CB 4.37Å; L35-C37 PolarHBondContact O-N 2.91Å; L35-C37 VanDerWaalsContact O-N 3.11Å; L35-I127 HydrophobicContact CD1-CD1 3.97Å; L35-L143 HydrophobicContact CD1-CD1 3.5Å; L35-L143 HydrophobicContact CD2-CD1 3.78Å; L35-L143 HydrophobicContact CG-CD1 4.31Å
36N76.8Confident82Confident90 Ų9037.9 Ų37.948%0.48119%0.185SC..  trans51.931.1-173.6-160.221.8000112.7H32 S130 T133H32-N36 WeakPolarHBondContact O-CA 3.22Å; H32-N36 PolarHBondContact O-N 3.2Å; N36-S130 PolarHBondContact O-OG 3.11Å; N36-T133 HydrophobicContact CB-CG2 3.77Å
37C80.1Confident81Confident0 Ų039.1 Ų39.10%019%0.194CC..EExtended strand (participates in β ladder)trans-78.9150.3179.667.50000110.4L31 H32 L35 I127 L128L31-C37 PolarHBondContact O-SG 3.13Å; H32-C37 PolarHBondContact CE1-O 3.06Å; H32-C37 VanDerWaalsContact CE1-O 3.3Å; H32-C37 PolarHBondContact ND1-O 3.43Å; L35-C37 HydrophobicContact CB-CB 4.37Å; L35-C37 PolarHBondContact O-N 2.91Å; L35-C37 VanDerWaalsContact O-N 3.11Å; C37-I127 HydrophobicContact CB-CG2 3.55Å; C37-L128 CarbonylContact C-O 3.54Å
38K82.9Confident80Confident94 Ų9444 Ų4441%0.40922%0.22SC..EExtended strand (participates in β ladder)trans-69-48.4-178.5-176.5175.7173.4-174.50111.9L128 S130K38-L128 HydrophobicContact CB-CD2 4.21Å; K38-L128 HydrophobicContact CB-CG 4.19Å; K38-L128 HydrophobicContact CD-CD2 3.87Å; K38-L128 HydrophobicContact CD-CG 4.45Å; K38-L128 HydrophobicContact CG-CD2 4.21Å; K38-L128 PolarHBondContact N-O 2.71Å; K38-S130 PolarHBondContact N-OG 3.25Å
39Q86.6Confident79.1Confident58 Ų5847.7 Ų47.727%0.27124%0.236SC..EExtended strand (participates in β ladder)trans-152151.6178.9-72.3-176.4-41.300110.2F99 L128Q39-F99 HydrophobicContact CB-CD1 4.02Å; Q39-F99 HydrophobicContact CB-CE1 3.78Å; Q39-L128 HydrophobicContact CB-CB 4.49Å; Q39-L128 HydrophobicContact CB-CD2 4.43Å; Q39-L128 PolarHBondContact N-O 3.01Å; Q39-L128 WeakPolarHBondContact O-CB 3.4Å; Q39-L128 PolarHBondContact O-N 2.76Å
40S87.7Confident78.7Confident1 Ų145.3 Ų45.31%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-130.5152.817062.70000111.1N28 G56 F126N28-S40 VanDerWaalsContact CA-OG 3.27Å; N28-S40 WeakPolarHBondContact CA-OG 3.24Å; N28-S40 WeakPolarHBondContact CB-OG 3.27Å; N28-S40 PolarHBondContact ND2-O 3.23Å; N28-S40 PolarHBondContact OD1-O 3.2Å; N28-S40 PolarHBondContact OD1-OG 2.89Å; S40-G56 PolarHBondContact O-N 2.87Å; S40-F126 CarbonylContact C-O 3.57Å; S40-F126 WeakPolarHBondContact CA-O 3.31Å
41A88.3Confident78.4Confident0 Ų046.9 Ų46.90%023%0.227CC..EExtended strand (participates in β ladder)trans-141.4137.4176.600000110.3V52 V55 I98 F99 F126A41-V52 HydrophobicContact CB-CG1 4.08Å; A41-V55 HydrophobicContact CB-CG1 4.44Å; A41-V55 HydrophobicContact CB-CG2 4.2Å; A41-I98 HydrophobicContact CB-CG2 3.69Å; A41-F99 HydrophobicContact CB-CE1 4.44Å; A41-F99 HydrophobicContact CB-CZ 4.31Å; A41-F126 PolarHBondContact N-O 3.37Å; A41-F126 WeakPolarHBondContact O-CD2 3.5Å; A41-F126 PolarHBondContact O-N 3.45Å
42F85.7Confident78.4Confident1 Ų146.9 Ų46.90%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-101.3125.7172.4-70.2-86.3000109.6Q24 L27 N28 L31 F44 M124 L125 A150 I154Q24-F42 HydrophobicContact CG-CB 4.49Å; Q24-F42 PolarHBondContact NE2-O 3.29Å; L27-F42 HydrophobicContact CB-CE2 3.76Å; L27-F42 HydrophobicContact CB-CZ 4.15Å; L27-F42 HydrophobicContact CD1-CE2 4.33Å; L27-F42 HydrophobicContact CD1-CZ 4.25Å; N28-F42 VanDerWaalsContact OD1-CD2 3.27Å; N28-F42 WeakPolarHBondContact OD1-CD2 3.41Å; N28-F42 VanDerWaalsContact OD1-CE2 3.24Å; N28-F42 WeakPolarHBondContact OD1-CE2 3.36Å; L31-F42 HydrophobicContact CD1-CE2 4.05Å; L31-F42 HydrophobicContact CD1-CZ 3.8Å; F42-F44 HydrophobicContact CB-CE1 3.82Å; F42-F44 HydrophobicContact CB-CZ 3.82Å; F42-M124 WeakPolarHBondContact CA-O 3.46Å; F42-L125 HydrophobicContact CD1-CB 4.05Å; F42-L125 HydrophobicContact CD1-CD1 3.9Å; F42-L125 HydrophobicContact CD1-CG 4.46Å; F42-L125 HydrophobicContact CD2-CD1 4.22Å; F42-L125 HydrophobicContact CE1-CB 3.91Å; F42-L125 HydrophobicContact CE1-CD1 3.61Å; F42-L125 HydrophobicContact CE1-CD2 4Å; F42-L125 HydrophobicContact CE1-CG 4.03Å; F42-L125 HydrophobicContact CE2-CD1 3.93Å; F42-L125 HydrophobicContact CG-CD1 4.22Å; F42-L125 HydrophobicContact CZ-CD1 3.63Å; F42-L125 HydrophobicContact CZ-CD2 4.16Å; F42-L125 HydrophobicContact CZ-CG 4.37Å; F42-A150 HydrophobicContact CE1-CB 3.88Å; F42-A150 HydrophobicContact CZ-CB 3.74Å; F42-I154 HydrophobicContact CB-CD1 4.39Å; F42-I154 HydrophobicContact CD1-CD1 3.17Å; F42-I154 HydrophobicContact CD2-CD1 4.21Å; F42-I154 HydrophobicContact CE1-CD1 3.24Å; F42-I154 HydrophobicContact CE2-CD1 4.28Å; F42-I154 HydrophobicContact CG-CD1 3.68Å; F42-I154 HydrophobicContact CZ-CD1 3.83Å
43C83Confident78.3Confident0 Ų045.4 Ų45.40%022%0.221CC..EExtended strand (participates in β ladder)trans-98129.6167.2-176.10000109.3F51 V52 G123 M124 F126C43-F51 WeakPolarHBondContact CA-O 3.33Å; C43-V52 HydrophobicContact CB-CG2 3.59Å; C43-G123 CarbonylContact O-C 3.6Å; C43-G123 WeakPolarHBondContact O-CA 3.32Å; C43-M124 HydrophobicContact CB-CB 4.29Å; C43-M124 HydrophobicContact CB-CE 3.98Å; C43-M124 PolarHBondContact N-O 3.25Å; C43-M124 PolarHBondContact O-N 2.98Å; C43-M124 VanDerWaalsContact SG-CE 3.59Å; C43-F126 HydrophobicContact CB-CD2 4.35Å; C43-F126 HydrophobicContact CB-CE2 3.51Å; C43-F126 HydrophobicContact CB-CZ 4.36Å
44F76.5Confident78.4Confident10 Ų1040.1 Ų40.14%0.04419%0.193CC..EExtended strand (participates in β ladder)trans-109.5151.7174.6-52.3-56.5000110.1L20 Q24 F42 C50 F51 I154L20-F44 HydrophobicContact CD1-CD2 4.41Å; L20-F44 HydrophobicContact CD1-CE1 4.42Å; L20-F44 HydrophobicContact CD1-CE2 3.68Å; L20-F44 HydrophobicContact CD1-CZ 3.71Å; L20-F44 HydrophobicContact CD2-CD2 3.84Å; L20-F44 HydrophobicContact CD2-CE2 3.69Å; L20-F44 HydrophobicContact CG-CD2 4.31Å; L20-F44 HydrophobicContact CG-CE2 3.64Å; L20-F44 HydrophobicContact CG-CZ 4.17Å; Q24-F44 VanDerWaalsContact CD-CZ 3.5Å; Q24-F44 HydrophobicContact CG-CE2 3.67Å; Q24-F44 HydrophobicContact CG-CZ 3.46Å; Q24-F44 VanDerWaalsContact CG-CZ 3.46Å; F42-F44 HydrophobicContact CB-CE1 3.82Å; F42-F44 HydrophobicContact CB-CZ 3.82Å; F44-C50 CarbonylContact O-C 3.57Å; F44-C50 WeakPolarHBondContact O-CA 3.33Å; F44-F51 PolarHBondContact N-O 3.37Å; F44-F51 PolarHBondContact O-N 3.22Å; F44-I154 HydrophobicContact CD1-CG2 3.9Å; F44-I154 HydrophobicContact CE1-CB 4.3Å; F44-I154 HydrophobicContact CE1-CD1 3.9Å; F44-I154 HydrophobicContact CE1-CG1 4Å; F44-I154 HydrophobicContact CE1-CG2 3.33Å; F44-I154 HydrophobicContact CZ-CD1 4.34Å; F44-I154 HydrophobicContact CZ-CG1 4.25Å; F44-I154 HydrophobicContact CZ-CG2 4.12Å
45M72.9Confident78.6Confident35 Ų3538.1 Ų38.117%0.17218%0.184CC..EExtended strand (participates in β ladder)trans-94.2119.3167.3-69.4170.9-70.500109.2C50 P69 L121M45-C50 VanDerWaalsContact CG-SG 3.54Å; M45-P69 HydrophobicContact CG-CB 4.37Å; M45-P69 HydrophobicContact CG-CG 4.16Å; M45-P69 HydrophobicContact SD-CB 3.7Å; M45-P69 HydrophobicContact SD-CG 4.1Å; M45-L121 HydrophobicContact CE-CB 3.55Å; M45-L121 HydrophobicContact CE-CD2 3.6Å; M45-L121 HydrophobicContact CE-CG 3.32Å; M45-L121 WeakPolarHBondContact CE-O 3.25Å; M45-L121 HydrophobicContact SD-CB 4.29Å; M45-L121 HydrophobicContact SD-CD2 3.56Å; M45-L121 VanDerWaalsContact SD-CD2 3.56Å; M45-L121 HydrophobicContact SD-CG 4Å
46E65Low78.9Confident93 Ų9337.1 Ų37.144%0.43518%0.182SC..EExtended strand (participates in β ladder)trans-105.5102160.2-77.4-170.8161.300106.7D48 K49 F51 K161E46-D48 PolarHBondContact O-N 2.69Å; E46-D48 VanDerWaalsContact O-N 3.14Å; E46-K49 PolarHBondContact N-O 3.33Å; E46-K49 PolarHBondContact O-N 3.36Å; E46-K49 VanDerWaalsContact O-N 3.11Å; E46-F51 HydrophobicContact CB-CD2 4.48Å; E46-K161 IonicContact OE1-NZ 3.57Å; E46-K161 PolarHBondContact OE1-NZ 3.49Å
47E63.8Low79.2Confident93 Ų9336.9 Ų36.944%0.43518%0.184SC..THydrogen-bonded Turntrans58.6-111.7177.8-53.4179.1146.200112.1P69 D331 T332E47-P69 WeakPolarHBondContact O-CG 3.33Å; E47-D331 WeakPolarHBondContact OE2-CB 3.33Å; E47-T332 HydrophobicContact CG-CG2 4.47Å; E47-T332 WeakPolarHBondContact OE1-CA 3.28Å; E47-T332 WeakPolarHBondContact OE1-CG2 3.34Å; E47-T332 PolarHBondContact OE1-N 3.05Å; E47-T332 PolarHBondContact OE2-N 3.36Å
48D64.4Low79.4Confident102 Ų10241.4 Ų41.455%0.54521%0.208SC..THydrogen-bonded Turntrans-93.56.3-175.9-83.4-1.5000113.6E46 P69E46-D48 PolarHBondContact O-N 2.69Å; E46-D48 VanDerWaalsContact O-N 3.14Å; D48-P69 WeakPolarHBondContact O-CD 3.45Å
49K68.4Low79.4Confident82 Ų8240.4 Ų40.436%0.35721%0.21SC..EExtended strand (participates in β ladder)trans-133139.4-176.5-65.6-173174.6-143.10112.1E46 F51 E65E46-K49 PolarHBondContact N-O 3.33Å; E46-K49 PolarHBondContact O-N 3.36Å; E46-K49 VanDerWaalsContact O-N 3.11Å; K49-F51 HydrophobicContact CB-CD2 3.99Å; K49-F51 HydrophobicContact CB-CE2 3.24Å; K49-F51 HydrophobicContact CB-CZ 3.57Å; K49-F51 HydrophobicContact CD-CE1 4.36Å; K49-F51 HydrophobicContact CD-CE2 3.91Å; K49-F51 HydrophobicContact CD-CZ 3.41Å; K49-F51 VanDerWaalsContact CD-CZ 3.41Å; K49-F51 HydrophobicContact CG-CE2 4.23Å; K49-F51 HydrophobicContact CG-CZ 4.15Å; K49-E65 WeakPolarHBondContact CD-OE1 3.44Å; K49-E65 WeakPolarHBondContact CE-OE1 3.48Å; K49-E65 IonicContact NZ-OE1 3.91Å; K49-E65 PolarHBondContact NZ-OE1 3.43Å; K49-E65 IonicContact NZ-OE2 3.33Å; K49-E65 PolarHBondContact NZ-OE2 3.43Å
50C76.2Confident79.2Confident0 Ų040.3 Ų40.30%021%0.21CC..EExtended strand (participates in β ladder)trans-96.7131.9173.4-65.20000108.7F44 M45 M66 G67 M124F44-C50 CarbonylContact O-C 3.57Å; F44-C50 WeakPolarHBondContact O-CA 3.33Å; M45-C50 VanDerWaalsContact CG-SG 3.54Å; C50-M66 HydrophobicContact CB-CB 3.65Å; C50-M66 WeakPolarHBondContact O-CB 3.4Å; C50-M66 PolarHBondContact O-N 3.47Å; C50-G67 PolarHBondContact N-O 3.47Å; C50-M124 HydrophobicContact CB-CE 4.37Å
51F80.9Confident78.4Confident48 Ų4846.5 Ų46.521%0.21125%0.254CS..EExtended strand (participates in β ladder)trans-135.7145.7-180-63.3-80.4000113.3C43 F44 E46 K49 I64 E65C43-F51 WeakPolarHBondContact CA-O 3.33Å; F44-F51 PolarHBondContact N-O 3.37Å; F44-F51 PolarHBondContact O-N 3.22Å; E46-F51 HydrophobicContact CB-CD2 4.48Å; K49-F51 HydrophobicContact CB-CD2 3.99Å; K49-F51 HydrophobicContact CB-CE2 3.24Å; K49-F51 HydrophobicContact CB-CZ 3.57Å; K49-F51 HydrophobicContact CD-CE1 4.36Å; K49-F51 HydrophobicContact CD-CE2 3.91Å; K49-F51 HydrophobicContact CD-CZ 3.41Å; K49-F51 VanDerWaalsContact CD-CZ 3.41Å; K49-F51 HydrophobicContact CG-CE2 4.23Å; K49-F51 HydrophobicContact CG-CZ 4.15Å; F51-I64 WeakPolarHBondContact CA-O 3.43Å; F51-E65 HydrophobicContact CD1-CB 3.99Å; F51-E65 HydrophobicContact CD1-CG 4.27Å; F51-E65 HydrophobicContact CE1-CB 3.71Å; F51-E65 HydrophobicContact CE1-CG 3.73Å; F51-E65 HydrophobicContact CZ-CG 4.34Å
52V83.4Confident77.6Confident0 Ų050.6 Ų50.60%028%0.283CS..EExtended strand (participates in β ladder)trans-117.3121.9169.7177.20000109.2A41 C43 V55 G63 I64 M66 I98A41-V52 HydrophobicContact CB-CG1 4.08Å; C43-V52 HydrophobicContact CB-CG2 3.59Å; V52-V55 HydrophobicContact CG1-CG2 3.9Å; V52-G63 CarbonylContact O-C 3.55Å; V52-G63 VanDerWaalsContact O-CA 3.25Å; V52-G63 WeakPolarHBondContact O-CA 3.21Å; V52-I64 HydrophobicContact CB-CB 4.5Å; V52-I64 PolarHBondContact N-O 3.05Å; V52-I64 PolarHBondContact O-N 3.43Å; V52-M66 HydrophobicContact CG2-CG 3.95Å; V52-M66 HydrophobicContact CG2-SD 4.22Å; V52-I98 HydrophobicContact CG2-CD1 3.88Å; V52-I98 HydrophobicContact CG2-CG1 4.35Å
53N82.6Confident77.1Confident53 Ų5352.1 Ų52.128%0.28330%0.298SS..EExtended strand (participates in β ladder)trans-109.1-20.5-180-65.1-25000113.3L60 G63N53-L60 PolarHBondContact O-N 2.97Å; N53-G63 WeakPolarHBondContact OD1-CA 3.43Å
54V83.9Confident77Confident0 Ų053.9 Ų53.90%031%0.308CS..EExtended strand (participates in β ladder)trans-136127.3-174.8-176.90000109.3V21 Q24 K25 G56 D58V21-V54 HydrophobicContact CG1-CG2 4.02Å; Q24-V54 HydrophobicContact CB-CB 3.92Å; Q24-V54 HydrophobicContact CB-CG1 4.15Å; Q24-V54 HydrophobicContact CB-CG2 3.98Å; K25-V54 HydrophobicContact CG-CG1 3.89Å; V54-G56 WeakPolarHBondContact CG1-O 3.42Å; V54-D58 WeakPolarHBondContact CA-O 3.31Å
55V84.8Confident77.2Confident9 Ų957.7 Ų57.76%0.05533%0.325CS..EExtended strand (participates in β ladder)trans-122.6115.6175.6-177.20000107.4A41 V52 T57 D58 L60 I98 F99A41-V55 HydrophobicContact CB-CG1 4.44Å; A41-V55 HydrophobicContact CB-CG2 4.2Å; V52-V55 HydrophobicContact CG1-CG2 3.9Å; V55-T57 PolarHBondContact O-N 3.1Å; V55-D58 PolarHBondContact N-O 2.92Å; V55-D58 WeakPolarHBondContact O-CB 3.45Å; V55-D58 PolarHBondContact O-N 3.21Å; V55-L60 HydrophobicContact CG2-CD1 4.03Å; V55-L60 HydrophobicContact CG2-CG 4.46Å; V55-I98 HydrophobicContact CG1-CG2 4.15Å; V55-I98 HydrophobicContact CG2-CG2 3.85Å; V55-F99 HydrophobicContact CG1-CD1 4.16Å; V55-F99 HydrophobicContact CG1-CE1 4.18Å
56G84.1Confident77.4Confident11 Ų1156 Ų5611%0.11332%0.317CS..THydrogen-bonded Turntrans59-122.5-16800000110.7N28 S40 V54N28-G56 WeakPolarHBondContact CB-O 3.46Å; N28-G56 PolarHBondContact ND2-N 3.23Å; N28-G56 PolarHBondContact ND2-O 3.48Å; S40-G56 PolarHBondContact O-N 2.87Å; V54-G56 WeakPolarHBondContact CG1-O 3.42Å
57T82.1Confident78Confident84 Ų8452 Ų5252%0.51530%0.301SS..THydrogen-bonded Turntrans-93.3-817449.80000113.7K25 V55K25-T57 WeakPolarHBondContact CE-O 3.5Å; V55-T57 PolarHBondContact O-N 3.1Å
58D84.5Confident78.8Confident96 Ų9653.5 Ų53.551%0.51331%0.306SS..EExtended strand (participates in β ladder)trans-85.7127.8-171.7-61.2-29.5000111.1V54 V55V54-D58 WeakPolarHBondContact CA-O 3.31Å; V55-D58 PolarHBondContact N-O 2.92Å; V55-D58 WeakPolarHBondContact O-CB 3.45Å; V55-D58 PolarHBondContact O-N 3.21Å
59V83.2Confident79.3Confident73 Ų7349.3 Ų49.344%0.44229%0.285SS..EExtended strand (participates in β ladder)trans-90.6123.6172.7-170.90000108.5V21 K25V21-V59 HydrophobicContact CG1-CG1 4.33Å; V21-V59 HydrophobicContact CG1-CG2 3.8Å; K25-V59 HydrophobicContact CD-CG2 4.41Å; K25-V59 VanDerWaalsContact NZ-CG2 3.28Å
60L81.3Confident79.7Confident55 Ų5551.8 Ų51.829%0.28830%0.297SS..EExtended strand (participates in β ladder)trans-74.1135177.2-59.6174.2000109.9N53 V55 S62 I64N53-L60 PolarHBondContact O-N 2.97Å; V55-L60 HydrophobicContact CG2-CD1 4.03Å; V55-L60 HydrophobicContact CG2-CG 4.46Å; L60-S62 PolarHBondContact O-N 3.4Å; L60-I64 HydrophobicContact CD1-CD1 3.6Å; L60-I64 HydrophobicContact CD1-CG1 3.8Å
61S71.4Confident79.9Confident131 Ų13155 Ų5592%0.91631%0.313SS*.EExtended strand (participates in β ladder)trans-63.4-28.4175.853.70000112.7
62S71.7Confident79.9Confident87 Ų8752.8 Ų52.861%0.60830%0.303SS*.EExtended strand (participates in β ladder)trans-136.6124.1171.9550000107.9L60L60-S62 PolarHBondContact O-N 3.4Å
63G74.5Confident79.6Confident32 Ų3257.1 Ų57.133%0.3332%0.323SS..EExtended strand (participates in β ladder)trans-57.9144.2176.700000111.8V52 N53V52-G63 CarbonylContact O-C 3.55Å; V52-G63 VanDerWaalsContact O-CA 3.25Å; V52-G63 WeakPolarHBondContact O-CA 3.21Å; N53-G63 WeakPolarHBondContact OD1-CA 3.43Å
64I81.5Confident79.4Confident38 Ų3860.5 Ų60.520%0.19534%0.337CS..EExtended strand (participates in β ladder)trans-82118.1176.1-62.4164.1000107.7F51 V52 L60 M66 I98F51-I64 WeakPolarHBondContact CA-O 3.43Å; V52-I64 HydrophobicContact CB-CB 4.5Å; V52-I64 PolarHBondContact N-O 3.05Å; V52-I64 PolarHBondContact O-N 3.43Å; L60-I64 HydrophobicContact CD1-CD1 3.6Å; L60-I64 HydrophobicContact CD1-CG1 3.8Å; I64-M66 HydrophobicContact CG2-SD 3.73Å; I64-I98 HydrophobicContact CD1-CG1 4.35Å
65E80.3Confident79.2Confident89 Ų8961.5 Ų61.542%0.41634%0.344SS..EExtended strand (participates in β ladder)trans-75.8121.2172.4-171.6170.6167.400109.5K49 F51 Y94K49-E65 WeakPolarHBondContact CD-OE1 3.44Å; K49-E65 WeakPolarHBondContact CE-OE1 3.48Å; K49-E65 IonicContact NZ-OE1 3.91Å; K49-E65 PolarHBondContact NZ-OE1 3.43Å; K49-E65 IonicContact NZ-OE2 3.33Å; K49-E65 PolarHBondContact NZ-OE2 3.43Å; F51-E65 HydrophobicContact CD1-CB 3.99Å; F51-E65 HydrophobicContact CD1-CG 4.27Å; F51-E65 HydrophobicContact CE1-CB 3.71Å; F51-E65 HydrophobicContact CE1-CG 3.73Å; F51-E65 HydrophobicContact CZ-CG 4.34Å; E65-Y94 WeakPolarHBondContact O-CD1 3.13Å; E65-Y94 WeakPolarHBondContact O-CE1 3.17Å
66M77.5Confident78.7Confident0 Ų061.4 Ų61.40%034%0.342CS..  trans-101.114.9-172.2-60.4-68.6-66.800112.2C50 V52 I64 W72 Y94 I98 F126C50-M66 HydrophobicContact CB-CB 3.65Å; C50-M66 WeakPolarHBondContact O-CB 3.4Å; C50-M66 PolarHBondContact O-N 3.47Å; V52-M66 HydrophobicContact CG2-CG 3.95Å; V52-M66 HydrophobicContact CG2-SD 4.22Å; I64-M66 HydrophobicContact CG2-SD 3.73Å; M66-W72 HydrophobicContact CB-CZ2 4.16Å; M66-W72 HydrophobicContact CE-CH2 3.91Å; M66-W72 HydrophobicContact CE-CZ2 3.71Å; M66-W72 PolarHBondContact O-NE1 2.94Å; M66-Y94 VanDerWaalsContact CE-CB 3.42Å; M66-Y94 HydrophobicContact CE-CG 4.4Å; M66-Y94 HydrophobicContact SD-CD1 4.45Å; M66-Y94 HydrophobicContact SD-CG 4.45Å; M66-I98 HydrophobicContact CE-CD1 3.36Å; M66-I98 HydrophobicContact CE-CG1 4.09Å; M66-I98 HydrophobicContact SD-CD1 3.76Å; M66-I98 HydrophobicContact SD-CG1 3.91Å; M66-F126 HydrophobicContact CE-CE1 4.38Å; M66-F126 HydrophobicContact CE-CZ 3.98Å
67G78.4Confident78.1Confident10 Ų1068.8 Ų68.810%0.10337%0.372CS..  trans82.2-161.6-176.600000113.9C50C50-G67 PolarHBondContact N-O 3.47Å
68K79.1Confident77.2Confident124 Ų12474.4 Ų74.454%0.53939%0.392SS..  trans-89.3141.5-171-65.4-173.3178.9-172.90112.1Q70 Q71K68-Q70 VanDerWaalsContact C-N 3.26Å; K68-Q70 PolarHBondContact O-N 2.84Å; K68-Q71 HydrophobicContact CB-CG 4.4Å; K68-Q71 WeakPolarHBondContact O-CB 3.25Å; K68-Q71 PolarHBondContact O-N 2.67Å
69P75.3Confident76.4Confident14 Ų1471.3 Ų71.39%0.09138%0.383CS..Hα-helixtrans-48.6-42.9176.3-29.833.6000114.4M45 E47 D48 Q71 W72 E73M45-P69 HydrophobicContact CG-CB 4.37Å; M45-P69 HydrophobicContact CG-CG 4.16Å; M45-P69 HydrophobicContact SD-CB 3.7Å; M45-P69 HydrophobicContact SD-CG 4.1Å; E47-P69 WeakPolarHBondContact O-CG 3.33Å; D48-P69 WeakPolarHBondContact O-CD 3.45Å; P69-Q71 PolarHBondContact O-N 3.03Å; P69-W72 PolarHBondContact O-N 3.4Å; P69-E73 PolarHBondContact O-N 2.86Å
70Q78.2Confident75.7Confident134 Ų13470.1 Ų70.163%0.62638%0.377SS*.Hα-helixtrans-56.7-34.8-179-65.8168.1-12.100113K68 Q74K68-Q70 VanDerWaalsContact C-N 3.26Å; K68-Q70 PolarHBondContact O-N 2.84Å; Q70-Q74 WeakPolarHBondContact O-CB 3.45Å; Q70-Q74 PolarHBondContact O-N 2.92Å; Q70-Q74 VanDerWaalsContact O-N 3.13Å
71Q79.9Confident75.5Confident68 Ų6871.4 Ų71.432%0.31839%0.385SS..Hα-helixtrans-69.9-36.5179.3-64.1175.8-41.700111.4K68 P69 C75 Y90 L91K68-Q71 HydrophobicContact CB-CG 4.4Å; K68-Q71 WeakPolarHBondContact O-CB 3.25Å; K68-Q71 PolarHBondContact O-N 2.67Å; P69-Q71 PolarHBondContact O-N 3.03Å; Q71-C75 PolarHBondContact O-N 3.32Å; Q71-Y90 HydrophobicContact CB-CE2 4.39Å; Q71-L91 HydrophobicContact CB-CD2 4.4Å
72W80.8Confident75.9Confident0 Ų066.1 Ų66.10%035%0.346CS..Hα-helixtrans-76.6-43.2176.8-66.2100.2000111.7M66 P69 Q74 C75 F76 M87 L91 Y94 V95 L110 M124 F126M66-W72 HydrophobicContact CB-CZ2 4.16Å; M66-W72 HydrophobicContact CE-CH2 3.91Å; M66-W72 HydrophobicContact CE-CZ2 3.71Å; M66-W72 PolarHBondContact O-NE1 2.94Å; P69-W72 PolarHBondContact O-N 3.4Å; W72-Q74 PolarHBondContact O-N 2.91Å; W72-C75 WeakPolarHBondContact O-CA 3.3Å; W72-C75 VanDerWaalsContact O-CB 3.27Å; W72-C75 WeakPolarHBondContact O-CB 3.4Å; W72-C75 PolarHBondContact O-N 2.85Å; W72-F76 HydrophobicContact CE3-CE2 4.4Å; W72-F76 VanDerWaalsContact O-CD2 3.23Å; W72-F76 WeakPolarHBondContact O-CD2 3.22Å; W72-F76 PolarHBondContact O-N 2.83Å; W72-F76 VanDerWaalsContact O-N 3.17Å; W72-M87 HydrophobicContact CZ3-SD 4.3Å; W72-L91 HydrophobicContact CD2-CD1 4.41Å; W72-L91 HydrophobicContact CD2-CD2 4.25Å; W72-L91 HydrophobicContact CE3-CD1 4.05Å; W72-L91 HydrophobicContact CE3-CD2 4.48Å; W72-L91 HydrophobicContact CH2-CB 4.14Å; W72-L91 HydrophobicContact CH2-CD2 4.18Å; W72-L91 HydrophobicContact CZ2-CD2 3.89Å; W72-L91 HydrophobicContact CZ3-CB 4.28Å; W72-L91 HydrophobicContact CZ3-CD1 4.19Å; W72-L91 HydrophobicContact CZ3-CD2 4.46Å; W72-Y94 HydrophobicContact CZ2-CD2 4.13Å; W72-Y94 HydrophobicContact CZ2-CG 4.43Å; W72-V95 HydrophobicContact CH2-CG2 4.27Å; W72-L110 HydrophobicContact CZ3-CD2 4.02Å; W72-M124 HydrophobicContact CB-CE 4.03Å; W72-M124 HydrophobicContact CB-SD 3.64Å; W72-M124 HydrophobicContact CD2-CE 3.55Å; W72-M124 HydrophobicContact CD2-SD 3.44Å; W72-M124 HydrophobicContact CE3-CE 4.03Å; W72-M124 HydrophobicContact CE3-SD 3.36Å; W72-M124 HydrophobicContact CG-CE 3.53Å; W72-M124 HydrophobicContact CG-SD 3.58Å; W72-M124 VanDerWaalsContact CG-SD 3.58Å; W72-M124 HydrophobicContact CZ3-SD 4.19Å; W72-F126 HydrophobicContact CH2-CE1 4.17Å; W72-F126 HydrophobicContact CH2-CZ 4.13Å; W72-F126 HydrophobicContact CZ3-CE1 4.12Å; W72-F126 HydrophobicContact CZ3-CZ 4.12Å
73E76.8Confident76.3Confident91 Ų9164.5 Ų64.543%0.42533%0.33SS..Hα-helixtrans-55-39.8174-76.4-174.4163.300112P69 C75 F76 K77 L121P69-E73 PolarHBondContact O-N 2.86Å; E73-C75 VanDerWaalsContact C-N 3.35Å; E73-F76 PolarHBondContact O-N 2.87Å; E73-K77 PolarHBondContact O-N 2.92Å; E73-L121 HydrophobicContact CG-CB 4.4Å; E73-L121 HydrophobicContact CG-CD2 3.7Å
74Q79Confident76.6Confident125 Ų12564.5 Ų64.558%0.58432%0.322SS*.Hα-helixtrans-66.1-36.3176.2-172.5169.71.200112.7Q70 W72 F76 K77Q70-Q74 WeakPolarHBondContact O-CB 3.45Å; Q70-Q74 PolarHBondContact O-N 2.92Å; Q70-Q74 VanDerWaalsContact O-N 3.13Å; W72-Q74 PolarHBondContact O-N 2.91Å; Q74-F76 VanDerWaalsContact C-N 3.29Å; Q74-F76 PolarHBondContact O-N 3.03Å; Q74-K77 PolarHBondContact O-N 3.06Å
75C78.2Confident76.3Confident20 Ų2070.8 Ų70.814%0.13535%0.35CS..Hα-helixtrans-62.9-37.8177.1-165.10000111.5Q71 W72 E73 K77 I82 L91Q71-C75 PolarHBondContact O-N 3.32Å; W72-C75 WeakPolarHBondContact O-CA 3.3Å; W72-C75 VanDerWaalsContact O-CB 3.27Å; W72-C75 WeakPolarHBondContact O-CB 3.4Å; W72-C75 PolarHBondContact O-N 2.85Å; E73-C75 VanDerWaalsContact C-N 3.35Å; C75-K77 PolarHBondContact O-N 3.06Å; C75-I82 HydrophobicContact CB-CD1 4.43Å; C75-I82 WeakPolarHBondContact O-CD1 3.46Å; C75-I82 VanDerWaalsContact SG-CD1 3.59Å; C75-L91 HydrophobicContact CB-CD1 3.75Å
76F76Confident76.3Confident7 Ų772.4 Ų72.43%0.03136%0.362CS..THydrogen-bonded Turntrans-92.316-176.4-72.9-72.7000115.5W72 E73 Q74 E78 G79 I82 L110 I112 M124W72-F76 HydrophobicContact CE3-CE2 4.4Å; W72-F76 VanDerWaalsContact O-CD2 3.23Å; W72-F76 WeakPolarHBondContact O-CD2 3.22Å; W72-F76 PolarHBondContact O-N 2.83Å; W72-F76 VanDerWaalsContact O-N 3.17Å; E73-F76 PolarHBondContact O-N 2.87Å; Q74-F76 VanDerWaalsContact C-N 3.29Å; Q74-F76 PolarHBondContact O-N 3.03Å; F76-E78 PolarHBondContact O-N 3.11Å; F76-G79 VanDerWaalsContact O-O 3.09Å; F76-I82 HydrophobicContact CD1-CD1 3.51Å; F76-I82 HydrophobicContact CD1-CG1 3.88Å; F76-I82 HydrophobicContact CE1-CB 4.37Å; F76-I82 HydrophobicContact CE1-CD1 3.78Å; F76-I82 HydrophobicContact CE1-CG1 3.92Å; F76-I82 HydrophobicContact CG-CD1 4.05Å; F76-I82 HydrophobicContact CZ-CD1 4.47Å; F76-L110 HydrophobicContact CE1-CB 4.25Å; F76-L110 HydrophobicContact CZ-CB 3.91Å; F76-L110 HydrophobicContact CZ-CD2 4.42Å; F76-I112 HydrophobicContact CB-CD1 3.3Å; F76-I112 HydrophobicContact CB-CG1 3.91Å; F76-I112 HydrophobicContact CD1-CD1 3.53Å; F76-I112 HydrophobicContact CD1-CG1 3.33Å; F76-I112 HydrophobicContact CD2-CD1 4.21Å; F76-I112 HydrophobicContact CD2-CG1 3.84Å; F76-I112 HydrophobicContact CE1-CD1 4.36Å; F76-I112 HydrophobicContact CE1-CG1 3.67Å; F76-I112 HydrophobicContact CE2-CG1 4.18Å; F76-I112 HydrophobicContact CG-CD1 3.43Å; F76-I112 VanDerWaalsContact CG-CD1 3.43Å; F76-I112 HydrophobicContact CG-CG1 3.42Å; F76-I112 VanDerWaalsContact CG-CG1 3.42Å; F76-I112 HydrophobicContact CZ-CG1 4.08Å; F76-M124 HydrophobicContact CE2-CG 3.94Å; F76-M124 HydrophobicContact CE2-SD 3.67Å; F76-M124 HydrophobicContact CZ-CG 4.43Å; F76-M124 HydrophobicContact CZ-SD 4.46Å
77K70Confident76.3Confident167 Ų16772.8 Ų72.873%0.72636%0.364SS*.THydrogen-bonded Turntrans-64-29.1177.2-79.4-175.2176.5-176.90113.4E73 Q74 C75E73-K77 PolarHBondContact O-N 2.92Å; Q74-K77 PolarHBondContact O-N 3.06Å; C75-K77 PolarHBondContact O-N 3.06Å
78E62.8Low76.5Confident201 Ų20174.5 Ų74.594%0.93937%0.373SS*.SBendtrans-96-8.1-171.8-63.9-178.1177.800114F76F76-E78 PolarHBondContact O-N 3.11Å
79G68.2Low76.5Confident31 Ų3176.3 Ų76.332%0.3238%0.383SS..  trans-179.4164.2-178.700000113.6F76F76-G79 VanDerWaalsContact O-O 3.09Å
80S69.6Low76.8Confident48 Ų4881 Ų8134%0.33640%0.4SS..SBendtrans-72.1-21.6172.5400000113.1I112S80-I112 PolarHBondContact O-N 2.97Å
81D76.3Confident77Confident82 Ų8274.6 Ų74.644%0.43937%0.37SS..EExtended strand (participates in β ladder)trans-136.7135.3-165.3-46-57.5000109.8L110 H111D81-L110 CarbonylContact C-O 3.57Å; D81-L110 VanDerWaalsContact CA-O 3.22Å; D81-L110 WeakPolarHBondContact CA-O 3.42Å; D81-H111 IonicContact OD1-CE1 3.72Å; D81-H111 IonicContact OD1-CG 2.67Å; D81-H111 IonicContact OD1-ND1 3.63Å; D81-H111 PolarHBondContact OD1-ND1 2.94Å
82I80Confident77.1Confident21 Ų2172.4 Ų72.411%0.10836%0.36CS..EExtended strand (participates in β ladder)trans-136.3126.9-177.6-59.4176.2000108.8C75 F76 N86 M87 L110C75-I82 HydrophobicContact CB-CD1 4.43Å; C75-I82 WeakPolarHBondContact O-CD1 3.46Å; C75-I82 VanDerWaalsContact SG-CD1 3.59Å; F76-I82 HydrophobicContact CD1-CD1 3.51Å; F76-I82 HydrophobicContact CD1-CG1 3.88Å; F76-I82 HydrophobicContact CE1-CB 4.37Å; F76-I82 HydrophobicContact CE1-CD1 3.78Å; F76-I82 HydrophobicContact CE1-CG1 3.92Å; F76-I82 HydrophobicContact CG-CD1 4.05Å; F76-I82 HydrophobicContact CZ-CD1 4.47Å; I82-N86 HydrophobicContact CG2-CB 4.17Å; I82-M87 HydrophobicContact CG2-CG 3.73Å; I82-L110 PolarHBondContact N-O 3.12Å; I82-L110 WeakPolarHBondContact O-CD1 3.49Å; I82-L110 PolarHBondContact O-N 2.63Å
83D80.5Confident77.2Confident52 Ų5278.6 Ų78.628%0.27839%0.388SS..EExtended strand (participates in β ladder)trans-74144.3167.5-72.6-58.6000109.9E85 N86 R107 T109D83-E85 PolarHBondContact O-N 3.41Å; D83-N86 PolarHBondContact O-N 3.44Å; D83-R107 IonicContact OD1-CZ 3.61Å; D83-R107 IonicContact OD1-NE 3.14Å; D83-R107 PolarHBondContact OD1-NE 3.01Å; D83-R107 VanDerWaalsContact OD1-NE 3.14Å; D83-R107 IonicContact OD1-NH2 3.14Å; D83-R107 PolarHBondContact OD1-NH2 2.65Å; D83-R107 VanDerWaalsContact OD1-NH2 3.14Å; D83-R107 IonicContact OD2-NH2 3.68Å; D83-T109 WeakPolarHBondContact OD1-CG2 3.27Å
84F79.6Confident77.5Confident33 Ų3377.3 Ų77.315%0.14538%0.38CS..G310 helixtrans-53.4-31.6-177172.2-92.1000114.6N86 M87 Q92 V95 R96 V108F84-N86 VanDerWaalsContact C-N 3.28Å; F84-N86 PolarHBondContact O-N 3.46Å; F84-M87 HydrophobicContact CB-CE 4.22Å; F84-M87 HydrophobicContact CD2-CE 3.38Å; F84-M87 HydrophobicContact CE2-CE 4.08Å; F84-M87 HydrophobicContact CG-CE 4.12Å; F84-M87 PolarHBondContact O-N 2.95Å; F84-Q92 HydrophobicContact CD2-CG 4.49Å; F84-Q92 HydrophobicContact CE2-CB 3.87Å; F84-Q92 HydrophobicContact CE2-CG 3.98Å; F84-Q92 HydrophobicContact CZ-CB 3.96Å; F84-Q92 HydrophobicContact CZ-CG 4.07Å; F84-Q92 PolarHBondContact O-NE2 3.47Å; F84-V95 HydrophobicContact CD2-CB 4.15Å; F84-V95 HydrophobicContact CD2-CG1 3.85Å; F84-V95 HydrophobicContact CE2-CB 4.03Å; F84-V95 HydrophobicContact CE2-CG1 4.05Å; F84-R96 HydrophobicContact CE2-CG 4.44Å; F84-R96 HydrophobicContact CZ-CG 4.16Å; F84-V108 HydrophobicContact CB-CB 3.8Å; F84-V108 HydrophobicContact CB-CG1 4.35Å; F84-V108 WeakPolarHBondContact CB-O 3.36Å; F84-V108 HydrophobicContact CG-CB 4.41Å; F84-V108 PolarHBondContact N-O 3.37Å
85E76.8Confident77.6Confident169 Ų16971.4 Ų71.479%0.7935%0.352SS*.G310 helixtrans-66.2-29.1177.7-61.1-175.4174.800113D83D83-E85 PolarHBondContact O-N 3.41Å
86N79.1Confident77.8Confident124 Ų12475.7 Ų75.766%0.66337%0.365SS*.G310 helixtrans-89.5-1-177.9-64.6-31.1000113.1I82 D83 F84I82-N86 HydrophobicContact CG2-CB 4.17Å; D83-N86 PolarHBondContact O-N 3.44Å; F84-N86 VanDerWaalsContact C-N 3.28Å; F84-N86 PolarHBondContact O-N 3.46Å
87M77.7Confident78.1Confident8 Ų877.5 Ų77.54%0.03938%0.382CS..SBendtrans-81.4148.7179.2-82.5-161.6-67.700113.3W72 I82 F84 Q89 L91 Q92 V95 L110W72-M87 HydrophobicContact CZ3-SD 4.3Å; I82-M87 HydrophobicContact CG2-CG 3.73Å; F84-M87 HydrophobicContact CB-CE 4.22Å; F84-M87 HydrophobicContact CD2-CE 3.38Å; F84-M87 HydrophobicContact CE2-CE 4.08Å; F84-M87 HydrophobicContact CG-CE 4.12Å; F84-M87 PolarHBondContact O-N 2.95Å; M87-Q89 PolarHBondContact O-N 3.48Å; M87-L91 HydrophobicContact SD-CB 4.41Å; M87-Q92 HydrophobicContact CB-CG 4.01Å; M87-Q92 HydrophobicContact CE-CG 4.31Å; M87-Q92 PolarHBondContact O-NE2 3.46Å; M87-V95 HydrophobicContact CE-CB 4.25Å; M87-V95 HydrophobicContact CE-CG2 3.72Å; M87-V95 HydrophobicContact SD-CG2 4.37Å; M87-L110 HydrophobicContact CE-CD1 3.6Å; M87-L110 HydrophobicContact CE-CD2 3.94Å; M87-L110 HydrophobicContact CE-CG 4.44Å; M87-L110 HydrophobicContact CG-CD1 4.44Å; M87-L110 HydrophobicContact CG-CD2 4.49Å; M87-L110 HydrophobicContact SD-CD1 3.88Å; M87-L110 HydrophobicContact SD-CD2 3.33Å; M87-L110 WeakPolarHBondContact SD-CD2 3.49Å; M87-L110 HydrophobicContact SD-CG 4.28Å
88P81.8Confident78.7Confident45 Ų4570 Ų7029%0.29235%0.349SS..  trans-56.1135.8167.8-22.632.4000112.6Y90 L91 Q92P88-Y90 HydrophobicContact CB-CD1 3.5Å; P88-Y90 HydrophobicContact CB-CE1 3.16Å; P88-Y90 HydrophobicContact CB-CG 4.45Å; P88-Y90 HydrophobicContact CG-CE1 3.89Å; P88-Y90 PolarHBondContact O-N 3.29Å; P88-L91 HydrophobicContact CG-CD1 4.5Å; P88-L91 PolarHBondContact O-N 3.03Å; P88-Q92 PolarHBondContact O-N 3.45Å
89Q80.2Confident79.6Confident162 Ų16261 Ų6176%0.75731%0.308SS*.Hα-helixtrans-54.5-32.7-176.4-71.4-177.1-4.300113.8M87 L91 Q92M87-Q89 PolarHBondContact O-N 3.48Å; Q89-L91 VanDerWaalsContact C-N 3.31Å; Q89-L91 PolarHBondContact O-N 3.2Å; Q89-Q92 PolarHBondContact O-N 2.84Å
90Y81.2Confident80.1Confident113 Ų11368 Ų6844%0.44333%0.329SS..Hα-helixtrans-68.2-27.3178.672-92.7000113.1Q71 P88Q71-Y90 HydrophobicContact CB-CE2 4.39Å; P88-Y90 HydrophobicContact CB-CD1 3.5Å; P88-Y90 HydrophobicContact CB-CE1 3.16Å; P88-Y90 HydrophobicContact CB-CG 4.45Å; P88-Y90 HydrophobicContact CG-CE1 3.89Å; P88-Y90 PolarHBondContact O-N 3.29Å
91L82.3Confident80.2Confident0 Ų067.7 Ų67.70%032%0.323CS..Hα-helixtrans-86-31174.6-66.7-179.9000112.6Q71 W72 C75 M87 P88 Q89 H93 Y94Q71-L91 HydrophobicContact CB-CD2 4.4Å; W72-L91 HydrophobicContact CD2-CD1 4.41Å; W72-L91 HydrophobicContact CD2-CD2 4.25Å; W72-L91 HydrophobicContact CE3-CD1 4.05Å; W72-L91 HydrophobicContact CE3-CD2 4.48Å; W72-L91 HydrophobicContact CH2-CB 4.14Å; W72-L91 HydrophobicContact CH2-CD2 4.18Å; W72-L91 HydrophobicContact CZ2-CD2 3.89Å; W72-L91 HydrophobicContact CZ3-CB 4.28Å; W72-L91 HydrophobicContact CZ3-CD1 4.19Å; W72-L91 HydrophobicContact CZ3-CD2 4.46Å; C75-L91 HydrophobicContact CB-CD1 3.75Å; M87-L91 HydrophobicContact SD-CB 4.41Å; P88-L91 HydrophobicContact CG-CD1 4.5Å; P88-L91 PolarHBondContact O-N 3.03Å; Q89-L91 VanDerWaalsContact C-N 3.31Å; Q89-L91 PolarHBondContact O-N 3.2Å; L91-H93 PolarHBondContact O-N 3.43Å; L91-H93 VanDerWaalsContact O-N 3.13Å; L91-Y94 HydrophobicContact CD2-CD2 4.2Å; L91-Y94 HydrophobicContact CD2-CE2 4.3Å; L91-Y94 PolarHBondContact O-N 2.56Å
92Q81.8Confident79.4Confident22 Ų2271.9 Ų71.910%0.10334%0.34CS..Hα-helixtrans-56.2-31.4177.4-68.2-178.38.900112.5F84 M87 P88 Q89 Y94 V95 R96F84-Q92 HydrophobicContact CD2-CG 4.49Å; F84-Q92 HydrophobicContact CE2-CB 3.87Å; F84-Q92 HydrophobicContact CE2-CG 3.98Å; F84-Q92 HydrophobicContact CZ-CB 3.96Å; F84-Q92 HydrophobicContact CZ-CG 4.07Å; F84-Q92 PolarHBondContact O-NE2 3.47Å; M87-Q92 HydrophobicContact CB-CG 4.01Å; M87-Q92 HydrophobicContact CE-CG 4.31Å; M87-Q92 PolarHBondContact O-NE2 3.46Å; P88-Q92 PolarHBondContact O-N 3.45Å; Q89-Q92 PolarHBondContact O-N 2.84Å; Q92-Y94 VanDerWaalsContact C-N 3.32Å; Q92-Y94 PolarHBondContact O-N 2.98Å; Q92-V95 PolarHBondContact O-N 3.34Å; Q92-R96 WeakPolarHBondContact O-CG 3.27Å; Q92-R96 PolarHBondContact O-N 3.01Å
93H82.8Confident78.3Confident129 Ų12977.2 Ų77.260%0.59738%0.379SS*.Hα-helixtrans-57.6-42.8176.5-178.467.5000112.5L91 R96 A97L91-H93 PolarHBondContact O-N 3.43Å; L91-H93 VanDerWaalsContact O-N 3.13Å; H93-R96 PolarHBondContact O-N 3.27Å; H93-A97 PolarHBondContact O-N 3.45Å; H93-A97 VanDerWaalsContact O-N 3.08Å
94Y83.1Confident77.1Confident65 Ų6582.2 Ų82.226%0.25540%0.399SS..Hα-helixtrans-66.9-39.7178.9-63.1-71.4000112.2E65 M66 W72 L91 Q92 A97 I98E65-Y94 WeakPolarHBondContact O-CD1 3.13Å; E65-Y94 WeakPolarHBondContact O-CE1 3.17Å; M66-Y94 VanDerWaalsContact CE-CB 3.42Å; M66-Y94 HydrophobicContact CE-CG 4.4Å; M66-Y94 HydrophobicContact SD-CD1 4.45Å; M66-Y94 HydrophobicContact SD-CG 4.45Å; W72-Y94 HydrophobicContact CZ2-CD2 4.13Å; W72-Y94 HydrophobicContact CZ2-CG 4.43Å; L91-Y94 HydrophobicContact CD2-CD2 4.2Å; L91-Y94 HydrophobicContact CD2-CE2 4.3Å; L91-Y94 PolarHBondContact O-N 2.56Å; Q92-Y94 VanDerWaalsContact C-N 3.32Å; Q92-Y94 PolarHBondContact O-N 2.98Å; Y94-A97 WeakPolarHBondContact O-CB 3.49Å; Y94-A97 PolarHBondContact O-N 2.96Å; Y94-A97 VanDerWaalsContact O-N 3.11Å; Y94-I98 PolarHBondContact O-N 3.22Å; Y94-I98 VanDerWaalsContact O-N 3.1Å
95V82Confident76.1Confident0 Ų085.9 Ų85.90%043%0.428CS..Hα-helixtrans-68.3-36.8177.6-1790000111.8W72 F84 M87 Q92 A97 I98 F99 V108 L110 F126W72-V95 HydrophobicContact CH2-CG2 4.27Å; F84-V95 HydrophobicContact CD2-CB 4.15Å; F84-V95 HydrophobicContact CD2-CG1 3.85Å; F84-V95 HydrophobicContact CE2-CB 4.03Å; F84-V95 HydrophobicContact CE2-CG1 4.05Å; M87-V95 HydrophobicContact CE-CB 4.25Å; M87-V95 HydrophobicContact CE-CG2 3.72Å; M87-V95 HydrophobicContact SD-CG2 4.37Å; Q92-V95 PolarHBondContact O-N 3.34Å; V95-A97 PolarHBondContact O-N 3.04Å; V95-I98 PolarHBondContact O-N 3.38Å; V95-F99 HydrophobicContact CG1-CD2 4.16Å; V95-F99 HydrophobicContact CG1-CE2 4.37Å; V95-F99 PolarHBondContact O-N 3.39Å; V95-V108 HydrophobicContact CG1-CG1 4.02Å; V95-L110 HydrophobicContact CG2-CD2 4.36Å; V95-F126 HydrophobicContact CG1-CD1 4.33Å; V95-F126 HydrophobicContact CG2-CD1 3.81Å; V95-F126 HydrophobicContact CG2-CE1 3.5Å
96R82.9Confident75.6Confident110 Ų11080.3 Ų80.342%0.41540%0.402SS..Hα-helixtrans-60.9-34.7170.3-71-176-173.6111.39.5111.9F84 Q92 H93 K100 L101F84-R96 HydrophobicContact CE2-CG 4.44Å; F84-R96 HydrophobicContact CZ-CG 4.16Å; Q92-R96 WeakPolarHBondContact O-CG 3.27Å; Q92-R96 PolarHBondContact O-N 3.01Å; H93-R96 PolarHBondContact O-N 3.27Å; R96-K100 VanDerWaalsContact O-CA 3.26Å; R96-K100 WeakPolarHBondContact O-CA 3.41Å; R96-K100 PolarHBondContact O-N 3Å; R96-L101 HydrophobicContact CG-CB 4.46Å; R96-L101 HydrophobicContact CG-CD1 4.47Å; R96-L101 PolarHBondContact O-N 3.38Å
97A81.9Confident75.5Confident45 Ų4579.2 Ų79.237%0.37239%0.388SS..Hα-helixtrans-70-36.217700000113.1H93 Y94 V95H93-A97 PolarHBondContact O-N 3.45Å; H93-A97 VanDerWaalsContact O-N 3.08Å; Y94-A97 WeakPolarHBondContact O-CB 3.49Å; Y94-A97 PolarHBondContact O-N 2.96Å; Y94-A97 VanDerWaalsContact O-N 3.11Å; V95-A97 PolarHBondContact O-N 3.04Å
98I81.7Confident75.7Confident9 Ų979 Ų795%0.04639%0.387CS..Hα-helixtrans-61.8-55.4176.4-67172.3000111.1A41 V52 V55 I64 M66 Y94 V95 F126A41-I98 HydrophobicContact CB-CG2 3.69Å; V52-I98 HydrophobicContact CG2-CD1 3.88Å; V52-I98 HydrophobicContact CG2-CG1 4.35Å; V55-I98 HydrophobicContact CG1-CG2 4.15Å; V55-I98 HydrophobicContact CG2-CG2 3.85Å; I64-I98 HydrophobicContact CD1-CG1 4.35Å; M66-I98 HydrophobicContact CE-CD1 3.36Å; M66-I98 HydrophobicContact CE-CG1 4.09Å; M66-I98 HydrophobicContact SD-CD1 3.76Å; M66-I98 HydrophobicContact SD-CG1 3.91Å; Y94-I98 PolarHBondContact O-N 3.22Å; Y94-I98 VanDerWaalsContact O-N 3.1Å; V95-I98 PolarHBondContact O-N 3.38Å; I98-F126 HydrophobicContact CD1-CD1 4.36Å; I98-F126 HydrophobicContact CD1-CD2 4.14Å; I98-F126 HydrophobicContact CD1-CE1 4.44Å; I98-F126 HydrophobicContact CD1-CE2 4.28Å; I98-F126 HydrophobicContact CD1-CG 4.22Å; I98-F126 HydrophobicContact CD1-CZ 4.42Å
99F82Confident75.7Confident14 Ų1477.2 Ų77.26%0.06138%0.376CS..Hα-helixtrans-97.91.3-170-64.1-61.7000114.3Q39 A41 V55 V95 L101 V108 F126 L128Q39-F99 HydrophobicContact CB-CD1 4.02Å; Q39-F99 HydrophobicContact CB-CE1 3.78Å; A41-F99 HydrophobicContact CB-CE1 4.44Å; A41-F99 HydrophobicContact CB-CZ 4.31Å; V55-F99 HydrophobicContact CG1-CD1 4.16Å; V55-F99 HydrophobicContact CG1-CE1 4.18Å; V95-F99 HydrophobicContact CG1-CD2 4.16Å; V95-F99 HydrophobicContact CG1-CE2 4.37Å; V95-F99 PolarHBondContact O-N 3.39Å; F99-L101 VanDerWaalsContact C-N 3.33Å; F99-L101 HydrophobicContact CB-CD1 4.47Å; F99-L101 HydrophobicContact CB-CD2 4.29Å; F99-L101 HydrophobicContact CB-CG 3.97Å; F99-L101 PolarHBondContact O-N 3.09Å; F99-V108 HydrophobicContact CE2-CG1 4.19Å; F99-F126 HydrophobicContact CE2-CB 3.77Å; F99-F126 HydrophobicContact CZ-CB 3.8Å; F99-L128 HydrophobicContact CB-CD2 4.26Å; F99-L128 HydrophobicContact CD1-CB 4.14Å; F99-L128 HydrophobicContact CD1-CD2 4.08Å; F99-L128 HydrophobicContact CD2-CB 4.45Å; F99-L128 HydrophobicContact CE1-CB 4.02Å; F99-L128 HydrophobicContact CE2-CB 4.31Å; F99-L128 HydrophobicContact CG-CB 4.36Å; F99-L128 HydrophobicContact CG-CD2 4.2Å; F99-L128 HydrophobicContact CZ-CB 4.1Å
100K79.4Confident75.8Confident176 Ų17669.5 Ų69.577%0.76534%0.34SS*.THydrogen-bonded Turntrans48.751.6-176.7-58.4179.8-178176.30112.3R96 E102R96-K100 VanDerWaalsContact O-CA 3.26Å; R96-K100 WeakPolarHBondContact O-CA 3.41Å; R96-K100 PolarHBondContact O-N 3Å; K100-E102 PolarHBondContact O-N 3.38Å; K100-E102 VanDerWaalsContact O-N 3.08Å
101L70.6Confident75.8Confident42 Ų4264.4 Ų64.422%0.2232%0.32CS..  trans-70103.8-173.9-70166.2000111.7R96 F99 F106 V108 L128R96-L101 HydrophobicContact CG-CB 4.46Å; R96-L101 HydrophobicContact CG-CD1 4.47Å; R96-L101 PolarHBondContact O-N 3.38Å; F99-L101 VanDerWaalsContact C-N 3.33Å; F99-L101 HydrophobicContact CB-CD1 4.47Å; F99-L101 HydrophobicContact CB-CD2 4.29Å; F99-L101 HydrophobicContact CB-CG 3.97Å; F99-L101 PolarHBondContact O-N 3.09Å; L101-F106 HydrophobicContact CD2-CD2 4.13Å; L101-V108 HydrophobicContact CD1-CG2 4.4Å; L101-L128 HydrophobicContact CD2-CD1 3.95Å
102E60.6Low75.6Confident170 Ų17065 Ų6579%0.79432%0.323SS*.  trans-94.891.2173.2-67.6179.9-179.800110.7K100 K104K100-E102 PolarHBondContact O-N 3.38Å; K100-E102 VanDerWaalsContact O-N 3.08Å; E102-K104 VanDerWaalsContact C-N 3.27Å; E102-K104 PolarHBondContact O-N 3.45Å
103S56.2Low75.3Confident133 Ų13364.1 Ų64.193%0.9332%0.319SS*.SBendtrans60.1-13.2161.565.40000121.3
104K55.7Low74.6Confident157 Ų15764.4 Ų64.468%0.68332%0.315SS*.SBendtrans-90.7131.7174.9-74.3-177178.5179.90111.6E102 F106E102-K104 VanDerWaalsContact C-N 3.27Å; E102-K104 PolarHBondContact O-N 3.45Å; K104-F106 VanDerWaalsContact C-N 3.35Å; K104-F106 HydrophobicContact CB-CD2 4.22Å; K104-F106 HydrophobicContact CB-CE2 3.69Å; K104-F106 HydrophobicContact CB-CZ 4.23Å; K104-F106 VanDerWaalsContact O-CD2 3.23Å; K104-F106 WeakPolarHBondContact O-CD2 3.07Å; K104-F106 PolarHBondContact O-N 2.84Å
105S58.4Low73.5Confident110 Ų11062.4 Ų62.477%0.76931%0.31SS*.  trans-67.482.2-179.644.40000111.4
106F66.8Low72.3Confident52 Ų5269.6 Ų69.623%0.22835%0.349CS..  trans-92.7133.8166.5-62-79.7000109L101 K104 V108 L128 P131L101-F106 HydrophobicContact CD2-CD2 4.13Å; K104-F106 VanDerWaalsContact C-N 3.35Å; K104-F106 HydrophobicContact CB-CD2 4.22Å; K104-F106 HydrophobicContact CB-CE2 3.69Å; K104-F106 HydrophobicContact CB-CZ 4.23Å; K104-F106 VanDerWaalsContact O-CD2 3.23Å; K104-F106 WeakPolarHBondContact O-CD2 3.07Å; K104-F106 PolarHBondContact O-N 2.84Å; F106-V108 PolarHBondContact O-N 3.48Å; F106-L128 HydrophobicContact CB-CD1 3.47Å; F106-L128 VanDerWaalsContact CB-CD1 3.47Å; F106-L128 HydrophobicContact CG-CD1 4.15Å; F106-P131 HydrophobicContact CD1-CG 4.24Å; F106-P131 HydrophobicContact CE1-CG 3.79Å
107R77.5Confident70.9Confident102 Ų10272.1 Ų72.139%0.38537%0.366SS..  trans-65.8132.1171.4-171.2178.3178.6-1721.4110.1D83 Y129D83-R107 IonicContact OD1-CZ 3.61Å; D83-R107 IonicContact OD1-NE 3.14Å; D83-R107 PolarHBondContact OD1-NE 3.01Å; D83-R107 VanDerWaalsContact OD1-NE 3.14Å; D83-R107 IonicContact OD1-NH2 3.14Å; D83-R107 PolarHBondContact OD1-NH2 2.65Å; D83-R107 VanDerWaalsContact OD1-NH2 3.14Å; D83-R107 IonicContact OD2-NH2 3.68Å; R107-Y129 HydrophobicContact CB-CD2 4.17Å; R107-Y129 HydrophobicContact CG-CD2 4.11Å; R107-Y129 WeakPolarHBondContact O-CD2 3.36Å; R107-Y129 PolarHBondContact O-N 2.77Å
108V79.9Confident69.6Low2 Ų277.1 Ų77.11%0.01239%0.386CS..EExtended strand (participates in β ladder)trans-127.1125.4173174.60000108.7F84 V95 F99 L101 F106 L110 I127 L128F84-V108 HydrophobicContact CB-CB 3.8Å; F84-V108 HydrophobicContact CB-CG1 4.35Å; F84-V108 WeakPolarHBondContact CB-O 3.36Å; F84-V108 HydrophobicContact CG-CB 4.41Å; F84-V108 PolarHBondContact N-O 3.37Å; V95-V108 HydrophobicContact CG1-CG1 4.02Å; F99-V108 HydrophobicContact CE2-CG1 4.19Å; L101-V108 HydrophobicContact CD1-CG2 4.4Å; F106-V108 PolarHBondContact O-N 3.48Å; V108-L110 HydrophobicContact CG1-CD1 4.3Å; V108-I127 CarbonylContact C-O 3.52Å; V108-I127 VanDerWaalsContact CA-O 3.23Å; V108-I127 WeakPolarHBondContact CA-O 3.38Å; V108-L128 HydrophobicContact CG2-CB 4.38Å; V108-L128 HydrophobicContact CG2-CD1 3.4Å
109T82.2Confident68.5Low9 Ų979.1 Ų79.16%0.05541%0.409CS..EExtended strand (participates in β ladder)trans-108.2145.2172.459.30000110.6D83 H111 I127 Y129D83-T109 WeakPolarHBondContact OD1-CG2 3.27Å; T109-H111 VanDerWaalsContact CB-NE2 3.32Å; T109-H111 WeakPolarHBondContact CB-NE2 3.23Å; T109-H111 PolarHBondContact OG1-NE2 2.96Å; T109-I127 PolarHBondContact N-O 2.88Å; T109-I127 PolarHBondContact O-N 3.41Å; T109-Y129 HydrophobicContact CG2-CE2 3.57Å; T109-Y129 VanDerWaalsContact OG1-CE2 3.22Å; T109-Y129 WeakPolarHBondContact OG1-CE2 3.35Å; T109-Y129 PolarHBondContact OG1-OH 2.98Å
110L83.6Confident67.6Low0 Ų082.1 Ų82.10%043%0.43CS..EExtended strand (participates in β ladder)trans-117.2131.6176.5-65.783.9000109W72 F76 D81 I82 M87 V95 V108 L125 F126W72-L110 HydrophobicContact CZ3-CD2 4.02Å; F76-L110 HydrophobicContact CE1-CB 4.25Å; F76-L110 HydrophobicContact CZ-CB 3.91Å; F76-L110 HydrophobicContact CZ-CD2 4.42Å; D81-L110 CarbonylContact C-O 3.57Å; D81-L110 VanDerWaalsContact CA-O 3.22Å; D81-L110 WeakPolarHBondContact CA-O 3.42Å; I82-L110 PolarHBondContact N-O 3.12Å; I82-L110 WeakPolarHBondContact O-CD1 3.49Å; I82-L110 PolarHBondContact O-N 2.63Å; M87-L110 HydrophobicContact CE-CD1 3.6Å; M87-L110 HydrophobicContact CE-CD2 3.94Å; M87-L110 HydrophobicContact CE-CG 4.44Å; M87-L110 HydrophobicContact CG-CD1 4.44Å; M87-L110 HydrophobicContact CG-CD2 4.49Å; M87-L110 HydrophobicContact SD-CD1 3.88Å; M87-L110 HydrophobicContact SD-CD2 3.33Å; M87-L110 WeakPolarHBondContact SD-CD2 3.49Å; M87-L110 HydrophobicContact SD-CG 4.28Å; V95-L110 HydrophobicContact CG2-CD2 4.36Å; V108-L110 HydrophobicContact CG1-CD1 4.3Å; L110-L125 CarbonylContact C-O 3.59Å; L110-L125 WeakPolarHBondContact CA-O 3.19Å; L110-F126 HydrophobicContact CD2-CD1 3.64Å; L110-F126 HydrophobicContact CD2-CE1 3.24Å; L110-F126 HydrophobicContact CD2-CZ 4.16Å; L110-F126 HydrophobicContact CG-CD1 3.63Å; L110-F126 HydrophobicContact CG-CE1 3.81Å
111H81.3Confident67Low5 Ų574.5 Ų74.52%0.02340%0.398CS..EExtended strand (participates in β ladder)trans-127.5136.1-176.2-58.6-79.4000110.4D81 T109 M124 L125 I147D81-H111 IonicContact OD1-CE1 3.72Å; D81-H111 IonicContact OD1-CG 2.67Å; D81-H111 IonicContact OD1-ND1 3.63Å; D81-H111 PolarHBondContact OD1-ND1 2.94Å; T109-H111 VanDerWaalsContact CB-NE2 3.32Å; T109-H111 WeakPolarHBondContact CB-NE2 3.23Å; T109-H111 PolarHBondContact OG1-NE2 2.96Å; H111-M124 CarbonylContact O-C 3.6Å; H111-M124 WeakPolarHBondContact O-CA 3.2Å; H111-L125 HydrophobicContact CB-CB 4.31Å; H111-L125 PolarHBondContact N-O 2.98Å; H111-L125 PolarHBondContact O-N 3.17Å; H111-I147 HydrophobicContact CB-CD1 3.8Å; H111-I147 HydrophobicContact CB-CG1 4.34Å; H111-I147 WeakPolarHBondContact ND1-CD1 3.38Å
112I77.5Confident67Low13 Ų1375.2 Ų75.27%0.06740%0.399CS..EExtended strand (participates in β ladder)trans-76.4137.6174.8-67170.6000111.5F76 S80 R114 L121F76-I112 HydrophobicContact CB-CD1 3.3Å; F76-I112 HydrophobicContact CB-CG1 3.91Å; F76-I112 HydrophobicContact CD1-CD1 3.53Å; F76-I112 HydrophobicContact CD1-CG1 3.33Å; F76-I112 HydrophobicContact CD2-CD1 4.21Å; F76-I112 HydrophobicContact CD2-CG1 3.84Å; F76-I112 HydrophobicContact CE1-CD1 4.36Å; F76-I112 HydrophobicContact CE1-CG1 3.67Å; F76-I112 HydrophobicContact CE2-CG1 4.18Å; F76-I112 HydrophobicContact CG-CD1 3.43Å; F76-I112 VanDerWaalsContact CG-CD1 3.43Å; F76-I112 HydrophobicContact CG-CG1 3.42Å; F76-I112 VanDerWaalsContact CG-CG1 3.42Å; F76-I112 HydrophobicContact CZ-CG1 4.08Å; S80-I112 PolarHBondContact O-N 2.97Å; I112-R114 HydrophobicContact CG2-CB 4.45Å; I112-R114 HydrophobicContact CG2-CG 3.68Å; I112-L121 HydrophobicContact CB-CD1 4.23Å; I112-L121 HydrophobicContact CD1-CD1 4.35Å; I112-L121 HydrophobicContact CG1-CD1 4.01Å; I112-L121 HydrophobicContact CG2-CD1 3.34Å
113V74.6Confident67.8Low4 Ų467.1 Ų67.12%0.02436%0.362CS..EExtended strand (participates in β ladder)trans-100101.8167.2-174.20000109.2K122 G123 L125 S151V113-K122 PolarHBondContact O-N 2.81Å; V113-G123 WeakPolarHBondContact CB-O 3.42Å; V113-G123 PolarHBondContact N-O 3.4Å; V113-G123 PolarHBondContact O-N 3.34Å; V113-L125 HydrophobicContact CG2-CB 4.33Å; V113-S151 WeakPolarHBondContact CG1-OG 3.4Å
114R68.6Low69.1Low134 Ų13460.9 Ų60.951%0.50632%0.318SS..EExtended strand (participates in β ladder)trans-98.7146.2179.1-90.1165.7-166.7176.96.4111.8I112 S151I112-R114 HydrophobicContact CG2-CB 4.45Å; I112-R114 HydrophobicContact CG2-CG 3.68Å; R114-S151 PolarHBondContact O-OG 3.49Å
115S60.3Low70.4Confident23 Ų2353.4 Ų53.416%0.16129%0.285CS..  trans-83.9128.3162.1173.50000110.7Q117 G119S115-Q117 PolarHBondContact O-N 3.46Å; S115-Q117 VanDerWaalsContact O-N 3.07Å; S115-G119 PolarHBondContact O-N 2.93Å
116D55.7Low71.8Confident152 Ų15248.1 Ų48.181%0.81325%0.249SC*.THydrogen-bonded Turntrans-46.8-15.4171.740.3-9.5000117.1
117Q53.7Low72.6Confident163 Ų16345.7 Ų45.776%0.76224%0.238SC*.THydrogen-bonded Turntrans-112.1-24.3-174.8-63.7-171.1300116.2S115S115-Q117 PolarHBondContact O-N 3.46Å; S115-Q117 VanDerWaalsContact O-N 3.07Å
118N55.5Low73Confident149 Ų14940.9 Ų40.980%0.79722%0.22SC*.THydrogen-bonded Turntrans-138.84-175.2-79.3-23.9000114.9C120N118-C120 PolarHBondContact O-N 3.49Å
119G58Low73.1Confident51 Ų5141.4 Ų41.453%0.52622%0.222SC..  trans65.12.8-179.800000115.2S115 L121S115-G119 PolarHBondContact O-N 2.93Å; G119-L121 PolarHBondContact O-N 2.8Å
120C63.1Low72.6Confident77 Ų7741.9 Ų41.952%0.5223%0.226SC..  trans-65.7131.7177.7-1710000109.6N118 K122N118-C120 PolarHBondContact O-N 3.49Å; C120-K122 PolarHBondContact O-N 2.86Å
121L67.7Low71.7Confident17 Ų1746 Ų469%0.08925%0.252CS..EExtended strand (participates in β ladder)trans-57.8124173.2-166.575.9000106.7M45 E73 I112 G119M45-L121 HydrophobicContact CE-CB 3.55Å; M45-L121 HydrophobicContact CE-CD2 3.6Å; M45-L121 HydrophobicContact CE-CG 3.32Å; M45-L121 WeakPolarHBondContact CE-O 3.25Å; M45-L121 HydrophobicContact SD-CB 4.29Å; M45-L121 HydrophobicContact SD-CD2 3.56Å; M45-L121 VanDerWaalsContact SD-CD2 3.56Å; M45-L121 HydrophobicContact SD-CG 4Å; E73-L121 HydrophobicContact CG-CB 4.4Å; E73-L121 HydrophobicContact CG-CD2 3.7Å; I112-L121 HydrophobicContact CB-CD1 4.23Å; I112-L121 HydrophobicContact CD1-CD1 4.35Å; I112-L121 HydrophobicContact CG1-CD1 4.01Å; I112-L121 HydrophobicContact CG2-CD1 3.34Å; G119-L121 PolarHBondContact O-N 2.8Å
122K69.9Low70.6Confident56 Ų5649.5 Ų49.524%0.24328%0.277CS..EExtended strand (participates in β ladder)trans-102.5-27.1171.9-85.6-166.6172.5-179.60112.1V113 C120V113-K122 PolarHBondContact O-N 2.81Å; C120-K122 PolarHBondContact O-N 2.86Å
123G76.8Confident69.7Low1 Ų149.4 Ų49.41%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-178.3-172.6178.200000112.7C43 V113C43-G123 CarbonylContact O-C 3.6Å; C43-G123 WeakPolarHBondContact O-CA 3.32Å; V113-G123 WeakPolarHBondContact CB-O 3.42Å; V113-G123 PolarHBondContact N-O 3.4Å; V113-G123 PolarHBondContact O-N 3.34Å
124M83.4Confident68.7Low1 Ų154.5 Ų54.51%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-135.8140.3177.6-59.8169.2-76.800109.3F42 C43 C50 W72 F76 H111 F126F42-M124 WeakPolarHBondContact CA-O 3.46Å; C43-M124 HydrophobicContact CB-CB 4.29Å; C43-M124 HydrophobicContact CB-CE 3.98Å; C43-M124 PolarHBondContact N-O 3.25Å; C43-M124 PolarHBondContact O-N 2.98Å; C43-M124 VanDerWaalsContact SG-CE 3.59Å; C50-M124 HydrophobicContact CB-CE 4.37Å; W72-M124 HydrophobicContact CB-CE 4.03Å; W72-M124 HydrophobicContact CB-SD 3.64Å; W72-M124 HydrophobicContact CD2-CE 3.55Å; W72-M124 HydrophobicContact CD2-SD 3.44Å; W72-M124 HydrophobicContact CE3-CE 4.03Å; W72-M124 HydrophobicContact CE3-SD 3.36Å; W72-M124 HydrophobicContact CG-CE 3.53Å; W72-M124 HydrophobicContact CG-SD 3.58Å; W72-M124 VanDerWaalsContact CG-SD 3.58Å; W72-M124 HydrophobicContact CZ3-SD 4.19Å; F76-M124 HydrophobicContact CE2-CG 3.94Å; F76-M124 HydrophobicContact CE2-SD 3.67Å; F76-M124 HydrophobicContact CZ-CG 4.43Å; F76-M124 HydrophobicContact CZ-SD 4.46Å; H111-M124 CarbonylContact O-C 3.6Å; H111-M124 WeakPolarHBondContact O-CA 3.2Å; M124-F126 HydrophobicContact CB-CE2 3.77Å; M124-F126 HydrophobicContact CB-CZ 4.09Å; M124-F126 HydrophobicContact CE-CZ 4.38Å; M124-F126 HydrophobicContact SD-CZ 4.29Å
125L85Confident67.6Low0 Ų052.5 Ų52.50%031%0.308CS..EExtended strand (participates in β ladder)trans-107.7126.2173.5170.258.9000108.9L31 F42 L110 H111 V113 I127 I147L31-L125 HydrophobicContact CD1-CD1 3.88Å; L31-L125 HydrophobicContact CD1-CD2 3.86Å; F42-L125 HydrophobicContact CD1-CB 4.05Å; F42-L125 HydrophobicContact CD1-CD1 3.9Å; F42-L125 HydrophobicContact CD1-CG 4.46Å; F42-L125 HydrophobicContact CD2-CD1 4.22Å; F42-L125 HydrophobicContact CE1-CB 3.91Å; F42-L125 HydrophobicContact CE1-CD1 3.61Å; F42-L125 HydrophobicContact CE1-CD2 4Å; F42-L125 HydrophobicContact CE1-CG 4.03Å; F42-L125 HydrophobicContact CE2-CD1 3.93Å; F42-L125 HydrophobicContact CG-CD1 4.22Å; F42-L125 HydrophobicContact CZ-CD1 3.63Å; F42-L125 HydrophobicContact CZ-CD2 4.16Å; F42-L125 HydrophobicContact CZ-CG 4.37Å; L110-L125 CarbonylContact C-O 3.59Å; L110-L125 WeakPolarHBondContact CA-O 3.19Å; H111-L125 HydrophobicContact CB-CB 4.31Å; H111-L125 PolarHBondContact N-O 2.98Å; H111-L125 PolarHBondContact O-N 3.17Å; V113-L125 HydrophobicContact CG2-CB 4.33Å; L125-I127 HydrophobicContact CD1-CG1 4.22Å; L125-I127 HydrophobicContact CD2-CD1 4.05Å; L125-I127 HydrophobicContact CD2-CG1 4.25Å; L125-I127 HydrophobicContact CG-CD1 4.27Å; L125-I127 HydrophobicContact CG-CG1 3.94Å; L125-I147 HydrophobicContact CD2-CG1 4.28Å
126F86.7Confident66.9Low0 Ų058.6 Ų58.60%033%0.333CS..EExtended strand (participates in β ladder)trans-107129.8174.9-56.5-100.2000108.6S40 A41 C43 M66 W72 V95 I98 F99 L110 M124S40-F126 CarbonylContact C-O 3.57Å; S40-F126 WeakPolarHBondContact CA-O 3.31Å; A41-F126 PolarHBondContact N-O 3.37Å; A41-F126 WeakPolarHBondContact O-CD2 3.5Å; A41-F126 PolarHBondContact O-N 3.45Å; C43-F126 HydrophobicContact CB-CD2 4.35Å; C43-F126 HydrophobicContact CB-CE2 3.51Å; C43-F126 HydrophobicContact CB-CZ 4.36Å; M66-F126 HydrophobicContact CE-CE1 4.38Å; M66-F126 HydrophobicContact CE-CZ 3.98Å; W72-F126 HydrophobicContact CH2-CE1 4.17Å; W72-F126 HydrophobicContact CH2-CZ 4.13Å; W72-F126 HydrophobicContact CZ3-CE1 4.12Å; W72-F126 HydrophobicContact CZ3-CZ 4.12Å; V95-F126 HydrophobicContact CG1-CD1 4.33Å; V95-F126 HydrophobicContact CG2-CD1 3.81Å; V95-F126 HydrophobicContact CG2-CE1 3.5Å; I98-F126 HydrophobicContact CD1-CD1 4.36Å; I98-F126 HydrophobicContact CD1-CD2 4.14Å; I98-F126 HydrophobicContact CD1-CE1 4.44Å; I98-F126 HydrophobicContact CD1-CE2 4.28Å; I98-F126 HydrophobicContact CD1-CG 4.22Å; I98-F126 HydrophobicContact CD1-CZ 4.42Å; F99-F126 HydrophobicContact CE2-CB 3.77Å; F99-F126 HydrophobicContact CZ-CB 3.8Å; L110-F126 HydrophobicContact CD2-CD1 3.64Å; L110-F126 HydrophobicContact CD2-CE1 3.24Å; L110-F126 HydrophobicContact CD2-CZ 4.16Å; L110-F126 HydrophobicContact CG-CD1 3.63Å; L110-F126 HydrophobicContact CG-CE1 3.81Å; M124-F126 HydrophobicContact CB-CE2 3.77Å; M124-F126 HydrophobicContact CB-CZ 4.09Å; M124-F126 HydrophobicContact CE-CZ 4.38Å; M124-F126 HydrophobicContact SD-CZ 4.29Å
127I84.7Confident66.6Low0 Ų055 Ų550%032%0.317CS..EExtended strand (participates in β ladder)trans-124123.6179.8-54.9178.8000108.9L35 C37 V108 T109 L125 Y129 L143L35-I127 HydrophobicContact CD1-CD1 3.97Å; C37-I127 HydrophobicContact CB-CG2 3.55Å; V108-I127 CarbonylContact C-O 3.52Å; V108-I127 VanDerWaalsContact CA-O 3.23Å; V108-I127 WeakPolarHBondContact CA-O 3.38Å; T109-I127 PolarHBondContact N-O 2.88Å; T109-I127 PolarHBondContact O-N 3.41Å; L125-I127 HydrophobicContact CD1-CG1 4.22Å; L125-I127 HydrophobicContact CD2-CD1 4.05Å; L125-I127 HydrophobicContact CD2-CG1 4.25Å; L125-I127 HydrophobicContact CG-CD1 4.27Å; L125-I127 HydrophobicContact CG-CG1 3.94Å; I127-Y129 HydrophobicContact CB-CE2 4.34Å; I127-Y129 HydrophobicContact CG2-CD2 4.45Å; I127-Y129 HydrophobicContact CG2-CE1 4.11Å; I127-Y129 HydrophobicContact CG2-CE2 4.01Å; I127-L143 HydrophobicContact CD1-CD1 4.22Å
128L84.9Confident66.1Low2 Ų252.8 Ų52.81%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-99.9117.2172.8176.969.3000108.9C37 K38 Q39 F99 L101 F106 V108C37-L128 CarbonylContact C-O 3.54Å; K38-L128 HydrophobicContact CB-CD2 4.21Å; K38-L128 HydrophobicContact CB-CG 4.19Å; K38-L128 HydrophobicContact CD-CD2 3.87Å; K38-L128 HydrophobicContact CD-CG 4.45Å; K38-L128 HydrophobicContact CG-CD2 4.21Å; K38-L128 PolarHBondContact N-O 2.71Å; Q39-L128 HydrophobicContact CB-CB 4.49Å; Q39-L128 HydrophobicContact CB-CD2 4.43Å; Q39-L128 PolarHBondContact N-O 3.01Å; Q39-L128 WeakPolarHBondContact O-CB 3.4Å; Q39-L128 PolarHBondContact O-N 2.76Å; F99-L128 HydrophobicContact CB-CD2 4.26Å; F99-L128 HydrophobicContact CD1-CB 4.14Å; F99-L128 HydrophobicContact CD1-CD2 4.08Å; F99-L128 HydrophobicContact CD2-CB 4.45Å; F99-L128 HydrophobicContact CE1-CB 4.02Å; F99-L128 HydrophobicContact CE2-CB 4.31Å; F99-L128 HydrophobicContact CG-CB 4.36Å; F99-L128 HydrophobicContact CG-CD2 4.2Å; F99-L128 HydrophobicContact CZ-CB 4.1Å; L101-L128 HydrophobicContact CD2-CD1 3.95Å; F106-L128 HydrophobicContact CB-CD1 3.47Å; F106-L128 VanDerWaalsContact CB-CD1 3.47Å; F106-L128 HydrophobicContact CG-CD1 4.15Å; V108-L128 HydrophobicContact CG2-CB 4.38Å; V108-L128 HydrophobicContact CG2-CD1 3.4Å
129Y81.9Confident65.8Low12 Ų1252.6 Ų52.65%0.04731%0.314CS..EExtended strand (participates in β ladder)trans-83.1153.3-178.8-65.1-88000112.5R107 T109 I127R107-Y129 HydrophobicContact CB-CD2 4.17Å; R107-Y129 HydrophobicContact CG-CD2 4.11Å; R107-Y129 WeakPolarHBondContact O-CD2 3.36Å; R107-Y129 PolarHBondContact O-N 2.77Å; T109-Y129 HydrophobicContact CG2-CE2 3.57Å; T109-Y129 VanDerWaalsContact OG1-CE2 3.22Å; T109-Y129 WeakPolarHBondContact OG1-CE2 3.35Å; T109-Y129 PolarHBondContact OG1-OH 2.98Å; I127-Y129 HydrophobicContact CB-CE2 4.34Å; I127-Y129 HydrophobicContact CG2-CD2 4.45Å; I127-Y129 HydrophobicContact CG2-CE1 4.11Å; I127-Y129 HydrophobicContact CG2-CE2 4.01Å
130S71.6Confident65.7Low20 Ų2055.3 Ų55.314%0.1432%0.322CS..PPolyproline II helixtrans-79.9152171.4-62.70000110.2N36 K38 S132 T133N36-S130 PolarHBondContact O-OG 3.11Å; K38-S130 PolarHBondContact N-OG 3.25Å; S130-S132 PolarHBondContact O-N 2.89Å; S130-S132 VanDerWaalsContact O-N 3.13Å; S130-T133 PolarHBondContact N-OG1 3.25Å; S130-T133 VanDerWaalsContact N-OG1 3.09Å; S130-T133 PolarHBondContact O-N 3.01Å; S130-T133 PolarHBondContact O-OG1 2.88Å
131P64.7Low65.4Low85 Ų8559.3 Ų59.355%0.55233%0.333SS*.G310 helixtrans-57.8-28.3176.3-23.132.5000113.5F106 T133F106-P131 HydrophobicContact CD1-CG 4.24Å; F106-P131 HydrophobicContact CE1-CG 3.79Å; P131-T133 VanDerWaalsContact C-N 3.29Å; P131-T133 PolarHBondContact O-N 3.47Å
132S58.9Low65.4Low79 Ų7961.6 Ų61.655%0.55235%0.349SS*.G310 helixtrans-73.8-15.617849.60000114.5S130S130-S132 PolarHBondContact O-N 2.89Å; S130-S132 VanDerWaalsContact O-N 3.13Å
133T57.9Low65.5Low12 Ų1260.6 Ų60.67%0.07435%0.346CS..G310 helixtrans-97.3-5.2-177.929.90000113.6N36 S130 P131 S135 H136N36-T133 HydrophobicContact CB-CG2 3.77Å; S130-T133 PolarHBondContact N-OG1 3.25Å; S130-T133 VanDerWaalsContact N-OG1 3.09Å; S130-T133 PolarHBondContact O-N 3.01Å; S130-T133 PolarHBondContact O-OG1 2.88Å; P131-T133 VanDerWaalsContact C-N 3.29Å; P131-T133 PolarHBondContact O-N 3.47Å; T133-S135 PolarHBondContact O-N 3.08Å; T133-S135 VanDerWaalsContact O-N 3.08Å; T133-H136 PolarHBondContact O-N 3.31Å
134E53.5Low65.3Low110 Ų11068.4 Ų68.451%0.51438%0.376SS..THydrogen-bonded Turntrans-62.6-18.2-176.5-70.2-175.6171.500113.7
135S45.7Very low65Low93 Ų9372.4 Ų72.465%0.6540%0.4SS*.THydrogen-bonded Turntrans-99.7-4.1-178.260.10000116.1T133T133-S135 PolarHBondContact O-N 3.08Å; T133-S135 VanDerWaalsContact O-N 3.08Å
136H46.3Very low64.7Low150 Ų15073.7 Ų73.769%0.69441%0.406SS*.SBendtrans-122.47.4-161.3-81.3-55.7000118.7T133T133-H136 PolarHBondContact O-N 3.31Å
137T48.8Very low64.1Low77 Ų7774.3 Ų74.347%0.47241%0.409SS..  trans-114.475.9179.659.60000111.9
138S42.3Very low63.8Low116 Ų11678.9 Ų78.981%0.81143%0.433SS*.  trans-101.610.4174.452.90000114.2
139E49.8Very low63.5Low145 Ų14580.5 Ų80.568%0.67844%0.442SS*.  trans-125.8117.1171.6-71.3-171.1175.100111.5P142E139-P142 HydrophobicContact CB-CG 4.37Å; E139-P142 WeakPolarHBondContact O-CD 3.41Å
140P56.5Low63.4Low109 Ų10980 Ų8071%0.70844%0.44SS*.Hα-helixtrans-76.3-17.7-177.928.3-33.2000114.1R144P140-R144 PolarHBondContact O-N 3.42Å
141E56.6Low63.6Low160 Ų16079.7 Ų79.775%0.74844%0.438SS*.Hα-helixtrans-64.3-48.9-177.6-76.8-143.6148.900115.2L143 R144 V145E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.05Å; E141-R144 PolarHBondContact O-N 3.48Å; E141-V145 PolarHBondContact O-N 2.85Å
142P66.5Low64.4Low65 Ų6578.9 Ų78.942%0.42244%0.438SS..Hα-helixtrans-60.8-42-178.218.1-30000111.9E139 R144 V145 H146E139-P142 HydrophobicContact CB-CG 4.37Å; E139-P142 WeakPolarHBondContact O-CD 3.41Å; P142-R144 VanDerWaalsContact C-N 3.31Å; P142-R144 PolarHBondContact O-N 2.97Å; P142-V145 PolarHBondContact O-N 3.32Å; P142-H146 PolarHBondContact O-N 3.28Å; P142-H146 PolarHBondContact O-ND1 2.89Å
143L72.8Confident65.5Low35 Ų3575.8 Ų75.818%0.18342%0.415CS..Hα-helixtrans-61-39.1-178.9-175.563.1000112.4L35 I127 E141 V145 H146 I147L35-L143 HydrophobicContact CD1-CD1 3.5Å; L35-L143 HydrophobicContact CD2-CD1 3.78Å; L35-L143 HydrophobicContact CG-CD1 4.31Å; I127-L143 HydrophobicContact CD1-CD1 4.22Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.05Å; L143-V145 PolarHBondContact O-N 2.98Å; L143-H146 PolarHBondContact O-N 3.48Å; L143-I147 HydrophobicContact CD1-CD1 4.49Å; L143-I147 HydrophobicContact CG-CD1 3.92Å; L143-I147 WeakPolarHBondContact O-CG1 3.37Å; L143-I147 PolarHBondContact O-N 3.37Å; L143-I147 VanDerWaalsContact O-N 3.1Å
144R73.3Confident66.5Low166 Ų16675.3 Ų75.363%0.62641%0.412SS*.Hα-helixtrans-64.3-40.3-178-165.8168.4-178.1176.50.9112.8P140 E141 P142 H146 I147 D148P140-R144 PolarHBondContact O-N 3.42Å; E141-R144 PolarHBondContact O-N 3.48Å; P142-R144 VanDerWaalsContact C-N 3.31Å; P142-R144 PolarHBondContact O-N 2.97Å; R144-H146 VanDerWaalsContact C-N 3.29Å; R144-H146 PolarHBondContact O-N 3.49Å; R144-I147 PolarHBondContact O-N 2.91Å; R144-D148 PolarHBondContact O-N 3.49Å
145V77.2Confident67.7Low84 Ų8470.3 Ų70.351%0.50939%0.391SS..Hα-helixtrans-60.9-39.9175.9178.60000111.3E141 P142 L143 D148 I149E141-V145 PolarHBondContact O-N 2.85Å; P142-V145 PolarHBondContact O-N 3.32Å; L143-V145 PolarHBondContact O-N 2.98Å; V145-D148 PolarHBondContact O-N 3.26Å; V145-I149 HydrophobicContact CG1-CD1 3.98Å; V145-I149 WeakPolarHBondContact O-CD1 3.09Å; V145-I149 VanDerWaalsContact O-CG1 3.31Å; V145-I149 WeakPolarHBondContact O-CG1 3.41Å; V145-I149 PolarHBondContact O-N 3.43Å; V145-I149 VanDerWaalsContact O-N 3.09Å
146H77.7Confident69.4Low27 Ų2769.6 Ų69.613%0.12538%0.379CS..Hα-helixtrans-67.7-38.6178.2-6574.1000111.8W30 L31 E34 P142 L143 R144 A150W30-H146 HydrophobicContact CH2-CB 3.77Å; W30-H146 AromaticContact CH2-CD2 3.06Å; W30-H146 WeakPolarHBondContact CH2-CD2 3.16Å; W30-H146 AromaticContact CH2-CG 3.61Å; W30-H146 AromaticContact CH2-NE2 3.99Å; W30-H146 AromaticContact CZ2-CD2 3.34Å; W30-H146 WeakPolarHBondContact CZ2-CD2 3.37Å; W30-H146 AromaticContact CZ2-NE2 3.87Å; W30-H146 HydrophobicContact CZ3-CB 3.86Å; W30-H146 AromaticContact CZ3-CD2 3.65Å; L31-H146 HydrophobicContact CD2-CB 4.22Å; E34-H146 IonicContact OE2-NE2 3.23Å; P142-H146 PolarHBondContact O-N 3.28Å; P142-H146 PolarHBondContact O-ND1 2.89Å; L143-H146 PolarHBondContact O-N 3.48Å; R144-H146 VanDerWaalsContact C-N 3.29Å; R144-H146 PolarHBondContact O-N 3.49Å; H146-A150 WeakPolarHBondContact O-CB 3.14Å; H146-A150 PolarHBondContact O-N 3.48Å
147I75.5Confident71.1Confident14 Ų1462.5 Ų62.57%0.07235%0.346CS..Hα-helixtrans-65-44176.1-65.6162.3000110.8H111 L125 L143 R144 I149 A150 S151H111-I147 HydrophobicContact CB-CD1 3.8Å; H111-I147 HydrophobicContact CB-CG1 4.34Å; H111-I147 WeakPolarHBondContact ND1-CD1 3.38Å; L125-I147 HydrophobicContact CD2-CG1 4.28Å; L143-I147 HydrophobicContact CD1-CD1 4.49Å; L143-I147 HydrophobicContact CG-CD1 3.92Å; L143-I147 WeakPolarHBondContact O-CG1 3.37Å; L143-I147 PolarHBondContact O-N 3.37Å; L143-I147 VanDerWaalsContact O-N 3.1Å; R144-I147 PolarHBondContact O-N 2.91Å; I147-I149 PolarHBondContact O-N 3.35Å; I147-A150 PolarHBondContact O-N 3.5Å; I147-S151 WeakPolarHBondContact O-CB 3.23Å; I147-S151 PolarHBondContact O-N 2.71Å
148D77.1Confident72.5Confident95 Ų9560.6 Ų60.651%0.50833%0.333SS..Hα-helixtrans-64-41.3179.4-70.8-25.4000111.6R144 V145 S151 A152R144-D148 PolarHBondContact O-N 3.49Å; V145-D148 PolarHBondContact O-N 3.26Å; D148-S151 WeakPolarHBondContact O-CB 3.22Å; D148-S151 PolarHBondContact O-N 2.92Å; D148-A152 PolarHBondContact O-N 3.15Å
149I80Confident74.3Confident37 Ų3758.6 Ų58.619%0.1931%0.313CS..Hα-helixtrans-60.1-48.9173.3-74.3164.3000111.1F7 L10 W30 V145 I147 S151 A152 L153F7-I149 HydrophobicContact CD2-CD1 3.83Å; F7-I149 HydrophobicContact CD2-CG2 4.19Å; F7-I149 HydrophobicContact CE2-CB 4.35Å; F7-I149 HydrophobicContact CE2-CD1 3.55Å; F7-I149 HydrophobicContact CE2-CG1 3.83Å; F7-I149 HydrophobicContact CE2-CG2 3.58Å; F7-I149 HydrophobicContact CZ-CD1 4.24Å; F7-I149 HydrophobicContact CZ-CG1 4.39Å; L10-I149 HydrophobicContact CD2-CG2 4.31Å; W30-I149 HydrophobicContact CH2-CB 4.36Å; W30-I149 HydrophobicContact CH2-CD1 4.09Å; W30-I149 HydrophobicContact CH2-CG2 4.08Å; W30-I149 HydrophobicContact CZ3-CG2 4.25Å; V145-I149 HydrophobicContact CG1-CD1 3.98Å; V145-I149 WeakPolarHBondContact O-CD1 3.09Å; V145-I149 VanDerWaalsContact O-CG1 3.31Å; V145-I149 WeakPolarHBondContact O-CG1 3.41Å; V145-I149 PolarHBondContact O-N 3.43Å; V145-I149 VanDerWaalsContact O-N 3.09Å; I147-I149 PolarHBondContact O-N 3.35Å; I149-S151 VanDerWaalsContact C-N 3.28Å; I149-S151 PolarHBondContact O-N 2.94Å; I149-A152 PolarHBondContact O-N 2.95Å; I149-L153 HydrophobicContact CG2-CD1 4.1Å; I149-L153 PolarHBondContact O-N 3.27Å; I149-L153 VanDerWaalsContact O-N 3.08Å
150A78.8Confident75.8Confident1 Ų153.9 Ų53.91%0.00829%0.294CS..Hα-helixtrans-61.3-40.9178.800000111L27 F42 H146 I147 L153 I154L27-A150 HydrophobicContact CD1-CB 4.37Å; L27-A150 HydrophobicContact CD2-CB 4.18Å; F42-A150 HydrophobicContact CE1-CB 3.88Å; F42-A150 HydrophobicContact CZ-CB 3.74Å; H146-A150 WeakPolarHBondContact O-CB 3.14Å; H146-A150 PolarHBondContact O-N 3.48Å; I147-A150 PolarHBondContact O-N 3.5Å; A150-L153 PolarHBondContact O-N 2.87Å; A150-I154 WeakPolarHBondContact O-CB 3.44Å; A150-I154 WeakPolarHBondContact O-CD1 3.06Å; A150-I154 WeakPolarHBondContact O-CG1 2.93Å; A150-I154 PolarHBondContact O-N 2.96Å
151S76.3Confident76.9Confident14 Ų1452.3 Ų52.310%0.09828%0.276CS..Hα-helixtrans-58.3-48.7175.6-171.40000112.4V113 R114 I147 D148 I149 L153 G155V113-S151 WeakPolarHBondContact CG1-OG 3.4Å; R114-S151 PolarHBondContact O-OG 3.49Å; I147-S151 WeakPolarHBondContact O-CB 3.23Å; I147-S151 PolarHBondContact O-N 2.71Å; D148-S151 WeakPolarHBondContact O-CB 3.22Å; D148-S151 PolarHBondContact O-N 2.92Å; I149-S151 VanDerWaalsContact C-N 3.28Å; I149-S151 PolarHBondContact O-N 2.94Å; S151-L153 PolarHBondContact O-N 3.13Å; S151-G155 PolarHBondContact O-N 3.18Å
152A80.2Confident78Confident67 Ų6752.7 Ų52.755%0.55427%0.271SS*.Hα-helixtrans-62.6-44.8-179.900000112.1D148 I149 G155 L156D148-A152 PolarHBondContact O-N 3.15Å; I149-A152 PolarHBondContact O-N 2.95Å; A152-G155 PolarHBondContact O-N 3.04Å; A152-L156 PolarHBondContact O-N 3.17Å
153L82.6Confident78.8Confident14 Ų1458.4 Ų58.47%0.07328%0.284CS..Hα-helixtrans-68.7-40.6-178.9-71.9174.4000112.8L10 L11 V14 V23 L27 I149 A150 S151 L156 S157L10-L153 HydrophobicContact CD2-CD1 3.99Å; L10-L153 HydrophobicContact CG-CD1 4.36Å; L11-L153 HydrophobicContact CD2-CD1 4.36Å; L11-L153 HydrophobicContact CD2-CD2 3.97Å; V14-L153 HydrophobicContact CG1-CD2 4.05Å; V23-L153 HydrophobicContact CG1-CB 4.41Å; L27-L153 HydrophobicContact CD1-CB 4.34Å; L27-L153 HydrophobicContact CD2-CD1 3.85Å; I149-L153 HydrophobicContact CG2-CD1 4.1Å; I149-L153 PolarHBondContact O-N 3.27Å; I149-L153 VanDerWaalsContact O-N 3.08Å; A150-L153 PolarHBondContact O-N 2.87Å; S151-L153 PolarHBondContact O-N 3.13Å; L153-L156 PolarHBondContact O-N 2.7Å; L153-S157 PolarHBondContact O-N 3.02Å
154I79.4Confident79.3Confident2 Ų262 Ų621%0.0130%0.303CS..Hα-helixtrans-64.9-44.4173.1-76.4160.5000110.6V23 L27 F42 F44 A150 L156 S157 L158V23-I154 HydrophobicContact CG1-CG1 4.45Å; L27-I154 HydrophobicContact CD1-CD1 3.78Å; L27-I154 HydrophobicContact CD1-CG1 3.67Å; F42-I154 HydrophobicContact CB-CD1 4.39Å; F42-I154 HydrophobicContact CD1-CD1 3.17Å; F42-I154 HydrophobicContact CD2-CD1 4.21Å; F42-I154 HydrophobicContact CE1-CD1 3.24Å; F42-I154 HydrophobicContact CE2-CD1 4.28Å; F42-I154 HydrophobicContact CG-CD1 3.68Å; F42-I154 HydrophobicContact CZ-CD1 3.83Å; F44-I154 HydrophobicContact CD1-CG2 3.9Å; F44-I154 HydrophobicContact CE1-CB 4.3Å; F44-I154 HydrophobicContact CE1-CD1 3.9Å; F44-I154 HydrophobicContact CE1-CG1 4Å; F44-I154 HydrophobicContact CE1-CG2 3.33Å; F44-I154 HydrophobicContact CZ-CD1 4.34Å; F44-I154 HydrophobicContact CZ-CG1 4.25Å; F44-I154 HydrophobicContact CZ-CG2 4.12Å; A150-I154 WeakPolarHBondContact O-CB 3.44Å; A150-I154 WeakPolarHBondContact O-CD1 3.06Å; A150-I154 WeakPolarHBondContact O-CG1 2.93Å; A150-I154 PolarHBondContact O-N 2.96Å; I154-L156 VanDerWaalsContact C-N 3.31Å; I154-L156 PolarHBondContact O-N 2.71Å; I154-S157 PolarHBondContact O-N 3.14Å; I154-S157 VanDerWaalsContact O-N 3.15Å; I154-L158 HydrophobicContact CG2-CD1 3.93Å; I154-L158 HydrophobicContact CG2-CG 4.37Å; I154-L158 WeakPolarHBondContact O-CG 3.38Å; I154-L158 PolarHBondContact O-N 3.11Å
155G77.7Confident79.6Confident6 Ų658.8 Ų58.86%0.06230%0.298CS..Hα-helixtrans-54.9-47.9176.600000111.7S151 A152 S157 L158 D159S151-G155 PolarHBondContact O-N 3.18Å; A152-G155 PolarHBondContact O-N 3.04Å; G155-S157 PolarHBondContact O-N 3.28Å; G155-L158 PolarHBondContact O-N 2.96Å; G155-D159 PolarHBondContact O-N 3.41Å
156L82Confident79.8Confident78 Ų7860 Ų6041%0.40830%0.298SS..Hα-helixtrans-59.9-45.1175.5-175.269.7000112.1L18 A152 L153 I154 D159 V160L18-L156 HydrophobicContact CD2-CD2 3.98Å; A152-L156 PolarHBondContact O-N 3.17Å; L153-L156 PolarHBondContact O-N 2.7Å; I154-L156 VanDerWaalsContact C-N 3.31Å; I154-L156 PolarHBondContact O-N 2.71Å; L156-D159 PolarHBondContact O-N 3.31Å; L156-V160 VanDerWaalsContact O-CG2 3.28Å; L156-V160 WeakPolarHBondContact O-CG2 3.46Å; L156-V160 PolarHBondContact O-N 3.23Å
157S81.9Confident80.3Confident1 Ų162.4 Ų62.41%0.00732%0.315CS..Hα-helixtrans-64-40.8179.8-173.50000112.7L18 L20 L153 I154 G155 V160 K161L18-S157 PolarHBondContact O-OG 2.83Å; L20-S157 WeakPolarHBondContact CA-OG 3.42Å; L20-S157 PolarHBondContact N-OG 3.32Å; L153-S157 PolarHBondContact O-N 3.02Å; I154-S157 PolarHBondContact O-N 3.14Å; I154-S157 VanDerWaalsContact O-N 3.15Å; G155-S157 PolarHBondContact O-N 3.28Å; S157-V160 PolarHBondContact O-N 3.38Å; S157-K161 WeakPolarHBondContact O-CB 3.47Å; S157-K161 PolarHBondContact O-N 2.92Å
158L77.7Confident80.8Confident36 Ų3666.5 Ų66.519%0.18833%0.333CS..Hα-helixtrans-63.8-41.9175-71172.4000111.7L20 I154 G155 K161 R162L20-L158 HydrophobicContact CD1-CD2 3.96Å; L20-L158 HydrophobicContact CD1-CG 4.18Å; L20-L158 HydrophobicContact CD2-CD2 3.95Å; I154-L158 HydrophobicContact CG2-CD1 3.93Å; I154-L158 HydrophobicContact CG2-CG 4.37Å; I154-L158 WeakPolarHBondContact O-CG 3.38Å; I154-L158 PolarHBondContact O-N 3.11Å; G155-L158 PolarHBondContact O-N 2.96Å; L158-K161 PolarHBondContact O-N 3.31Å; L158-R162 WeakPolarHBondContact O-CB 3.28Å; L158-R162 PolarHBondContact O-N 3.47Å
159D79.7Confident81.2Confident75 Ų7562.9 Ų62.940%0.40131%0.314SS..Hα-helixtrans-66.3-40.2177.5-72.1-24.1000111.7G155 L156 R162 R163G155-D159 PolarHBondContact O-N 3.41Å; L156-D159 PolarHBondContact O-N 3.31Å; D159-R162 PolarHBondContact O-N 3.07Å; D159-R163 WeakPolarHBondContact O-CG 3.48Å; D159-R163 PolarHBondContact O-N 2.9Å
160V83.1Confident81.5Confident46 Ų4664 Ų6428%0.27933%0.329SS..Hα-helixtrans-62.9-47173.4170.90000110.9L18 L156 S157 R162 R163 L164L18-V160 HydrophobicContact CD1-CG2 4.47Å; L156-V160 VanDerWaalsContact O-CG2 3.28Å; L156-V160 WeakPolarHBondContact O-CG2 3.46Å; L156-V160 PolarHBondContact O-N 3.23Å; S157-V160 PolarHBondContact O-N 3.38Å; V160-R162 VanDerWaalsContact C-N 3.31Å; V160-R162 PolarHBondContact O-N 2.89Å; V160-R163 PolarHBondContact O-N 3.37Å; V160-L164 HydrophobicContact CG1-CD1 3.88Å; V160-L164 HydrophobicContact CG1-CG 4.32Å; V160-L164 WeakPolarHBondContact O-CG 3.42Å; V160-L164 PolarHBondContact O-N 3.42Å
161K79.8Confident81.9Confident76 Ų7670.6 Ų70.633%0.3336%0.357SS..Hα-helixtrans-55.9-45.9175.6-176.2-175.5179.3-172.70111E46 S157 L158 L164 N165E46-K161 IonicContact OE1-NZ 3.57Å; E46-K161 PolarHBondContact OE1-NZ 3.49Å; S157-K161 WeakPolarHBondContact O-CB 3.47Å; S157-K161 PolarHBondContact O-N 2.92Å; L158-K161 PolarHBondContact O-N 3.31Å; K161-L164 PolarHBondContact O-N 3.04Å; K161-N165 VanDerWaalsContact O-CG 3.3Å; K161-N165 PolarHBondContact O-N 3.39Å
162R78.3Confident82.4Confident168 Ų16870.2 Ų70.263%0.63435%0.354SS*.Hα-helixtrans-61.8-45178-175178.7175.2177.60.6112.2L158 D159 V160 N165 Q166L158-R162 WeakPolarHBondContact O-CB 3.28Å; L158-R162 PolarHBondContact O-N 3.47Å; D159-R162 PolarHBondContact O-N 3.07Å; V160-R162 VanDerWaalsContact C-N 3.31Å; V160-R162 PolarHBondContact O-N 2.89Å; R162-N165 PolarHBondContact O-N 3.41Å; R162-Q166 WeakPolarHBondContact O-CG 3.23Å; R162-Q166 PolarHBondContact O-N 3.04Å
163R83.4Confident82.7Confident184 Ų18467.9 Ų67.969%0.69433%0.332SS*.Hα-helixtrans-65.1-42.2177.3-73.1-176-177.2-158.22.7112.2D159 V160 N165 Q166 V167D159-R163 WeakPolarHBondContact O-CG 3.48Å; D159-R163 PolarHBondContact O-N 2.9Å; V160-R163 PolarHBondContact O-N 3.37Å; R163-N165 VanDerWaalsContact C-N 3.33Å; R163-N165 PolarHBondContact O-N 2.83Å; R163-Q166 WeakPolarHBondContact O-CB 3.09Å; R163-Q166 PolarHBondContact O-N 3.43Å; R163-V167 WeakPolarHBondContact O-CG2 3.46Å; R163-V167 PolarHBondContact O-N 2.94Å
164L84.6Confident83Confident110 Ų11072.8 Ų72.858%0.57636%0.358SS*.Hα-helixtrans-61.4-41.4176.7-73.6172.6000111.8V160 K161 Q166 V167 H168V160-L164 HydrophobicContact CG1-CD1 3.88Å; V160-L164 HydrophobicContact CG1-CG 4.32Å; V160-L164 WeakPolarHBondContact O-CG 3.42Å; V160-L164 PolarHBondContact O-N 3.42Å; K161-L164 PolarHBondContact O-N 3.04Å; L164-Q166 VanDerWaalsContact C-N 3.33Å; L164-Q166 PolarHBondContact O-N 2.86Å; L164-V167 PolarHBondContact O-N 2.94Å; L164-H168 PolarHBondContact O-N 3.03Å
165N79.6Confident83.4Confident99 Ų9979.4 Ų79.453%0.52939%0.387SS..Hα-helixtrans-61.8-38.8175-71.9-9.4000112.3K161 R162 R163 H168 L169K161-N165 VanDerWaalsContact O-CG 3.3Å; K161-N165 PolarHBondContact O-N 3.39Å; R162-N165 PolarHBondContact O-N 3.41Å; R163-N165 VanDerWaalsContact C-N 3.33Å; R163-N165 PolarHBondContact O-N 2.83Å; N165-H168 PolarHBondContact O-N 3Å; N165-L169 PolarHBondContact O-N 2.85Å
166Q81.3Confident83.8Confident111 Ų11179.2 Ų79.252%0.51938%0.384SS..Hα-helixtrans-66.2-41175-71.6176.2-26.200112.5R162 R163 L164 H168 L169 A170R162-Q166 WeakPolarHBondContact O-CG 3.23Å; R162-Q166 PolarHBondContact O-N 3.04Å; R163-Q166 WeakPolarHBondContact O-CB 3.09Å; R163-Q166 PolarHBondContact O-N 3.43Å; L164-Q166 VanDerWaalsContact C-N 3.33Å; L164-Q166 PolarHBondContact O-N 2.86Å; Q166-H168 VanDerWaalsContact C-N 3.34Å; Q166-L169 PolarHBondContact O-N 3.29Å; Q166-A170 PolarHBondContact O-N 2.73Å
167V87.5Confident84.1Confident77 Ų7777.1 Ų77.147%0.46737%0.372SS..Hα-helixtrans-64.5-40.6175.61730000111.1R163 L164 A170 K171R163-V167 WeakPolarHBondContact O-CG2 3.46Å; R163-V167 PolarHBondContact O-N 2.94Å; L164-V167 PolarHBondContact O-N 2.94Å; V167-A170 PolarHBondContact O-N 3.04Å; V167-K171 HydrophobicContact CG1-CD 4.47Å; V167-K171 WeakPolarHBondContact O-CG 3.46Å; V167-K171 PolarHBondContact O-N 2.99Å
168H86Confident84.3Confident99 Ų9980.6 Ų80.646%0.45839%0.393SS..Hα-helixtrans-60.8-47.3174.7-170.7-78.5000111.2L164 N165 Q166 A170 K171 S172 F201L164-H168 PolarHBondContact O-N 3.03Å; N165-H168 PolarHBondContact O-N 3Å; Q166-H168 VanDerWaalsContact C-N 3.34Å; H168-A170 PolarHBondContact O-N 3Å; H168-K171 PolarHBondContact O-N 2.82Å; H168-S172 PolarHBondContact O-N 3.3Å; H168-S172 PolarHBondContact O-OG 2.82Å; H168-F201 AromaticContact ND1-CE1 3.41Å; H168-F201 WeakPolarHBondContact ND1-CE1 3.3Å; H168-F201 AromaticContact ND1-CZ 3.54Å
169L84.8Confident84.7Confident20 Ų2080.1 Ų80.111%0.10540%0.395CS..Hα-helixtrans-55.3-48.7176-17663.4000112.3N165 Q166 K171 S172 I173 F201 V336 L340N165-L169 PolarHBondContact O-N 2.85Å; Q166-L169 PolarHBondContact O-N 3.29Å; L169-K171 PolarHBondContact O-N 3.39Å; L169-S172 PolarHBondContact O-N 3.17Å; L169-I173 HydrophobicContact CD1-CD1 4.33Å; L169-I173 HydrophobicContact CG-CD1 4.05Å; L169-I173 VanDerWaalsContact O-CG1 3.29Å; L169-I173 WeakPolarHBondContact O-CG1 3.36Å; L169-I173 PolarHBondContact O-N 2.77Å; L169-F201 HydrophobicContact CB-CE1 4.04Å; L169-F201 HydrophobicContact CB-CZ 4.28Å; L169-F201 HydrophobicContact CD1-CD1 4.08Å; L169-F201 HydrophobicContact CD1-CD2 4.27Å; L169-F201 HydrophobicContact CD1-CE1 3.7Å; L169-F201 HydrophobicContact CD1-CE2 3.94Å; L169-F201 HydrophobicContact CD1-CG 4.36Å; L169-F201 HydrophobicContact CD1-CZ 3.66Å; L169-V336 HydrophobicContact CD1-CG1 3.92Å; L169-L340 HydrophobicContact CD1-CD1 4.41Å; L169-L340 HydrophobicContact CD1-CD2 3.75Å; L169-L340 HydrophobicContact CD1-CG 4.09Å
170A86Confident84.8Confident61 Ų6176.6 Ų76.650%0.50438%0.376SS..Hα-helixtrans-62-40.5178.700000112.8Q166 V167 H168 I173 L174Q166-A170 PolarHBondContact O-N 2.73Å; V167-A170 PolarHBondContact O-N 3.04Å; H168-A170 PolarHBondContact O-N 3Å; A170-I173 PolarHBondContact O-N 2.67Å; A170-L174 PolarHBondContact O-N 3.38Å; A170-L174 VanDerWaalsContact O-N 3.12Å
171K89.2Confident84.7Confident138 Ų13877.9 Ų77.960%0.638%0.378SS*.Hα-helixtrans-65.2-43.2177.1-77.2-176.9177.5-176.90112.4V167 H168 L169 L174 K175V167-K171 HydrophobicContact CG1-CD 4.47Å; V167-K171 WeakPolarHBondContact O-CG 3.46Å; V167-K171 PolarHBondContact O-N 2.99Å; H168-K171 PolarHBondContact O-N 2.82Å; L169-K171 PolarHBondContact O-N 3.39Å; K171-L174 PolarHBondContact O-N 3.43Å; K171-K175 WeakPolarHBondContact O-CG 3.47Å; K171-K175 PolarHBondContact O-N 3.2Å
172S86.1Confident84.8Confident6 Ų680.6 Ų80.64%0.04239%0.392CS..Hα-helixtrans-66.6-38177.8-610000111.9H168 L169 L174 K175 M176 E200 F201H168-S172 PolarHBondContact O-N 3.3Å; H168-S172 PolarHBondContact O-OG 2.82Å; L169-S172 PolarHBondContact O-N 3.17Å; S172-L174 VanDerWaalsContact C-N 3.34Å; S172-L174 PolarHBondContact O-N 3.45Å; S172-K175 PolarHBondContact O-N 3.43Å; S172-M176 WeakPolarHBondContact O-CB 3.42Å; S172-M176 PolarHBondContact O-N 3.22Å; S172-E200 VanDerWaalsContact CB-OE2 3.27Å; S172-E200 WeakPolarHBondContact CB-OE2 3.45Å; S172-E200 PolarHBondContact OG-OE2 3.44Å; S172-F201 VanDerWaalsContact CB-CE2 3.48Å; S172-F201 VanDerWaalsContact CB-CZ 3.48Å; S172-F201 WeakPolarHBondContact OG-CZ 3.35Å
173I86.4Confident84.7Confident18 Ų1876.6 Ų76.69%0.09238%0.383CS..Hα-helixtrans-58.5-46173.1-68.6165.4000110.7L169 A170 K175 M176 F177 L340 F343L169-I173 HydrophobicContact CD1-CD1 4.33Å; L169-I173 HydrophobicContact CG-CD1 4.05Å; L169-I173 VanDerWaalsContact O-CG1 3.29Å; L169-I173 WeakPolarHBondContact O-CG1 3.36Å; L169-I173 PolarHBondContact O-N 2.77Å; A170-I173 PolarHBondContact O-N 2.67Å; I173-K175 PolarHBondContact O-N 3.26Å; I173-M176 WeakPolarHBondContact O-CB 3.49Å; I173-M176 PolarHBondContact O-N 3.41Å; I173-F177 HydrophobicContact CG2-CD2 3.76Å; I173-F177 HydrophobicContact CG2-CE2 3.6Å; I173-F177 VanDerWaalsContact O-CD2 3.25Å; I173-F177 WeakPolarHBondContact O-CD2 3.37Å; I173-F177 PolarHBondContact O-N 3.37Å; I173-F177 VanDerWaalsContact O-N 3.07Å; I173-L340 HydrophobicContact CD1-CD2 3.85Å; I173-L340 HydrophobicContact CG1-CD2 3.55Å; I173-F343 HydrophobicContact CD1-CD2 3.9Å; I173-F343 HydrophobicContact CD1-CE2 3.97Å; I173-F343 HydrophobicContact CD1-CG 4.29Å; I173-F343 HydrophobicContact CD1-CZ 4.41Å; I173-F343 HydrophobicContact CG2-CB 4.25Å; I173-F343 HydrophobicContact CG2-CD1 3.89Å; I173-F343 HydrophobicContact CG2-CE1 4.42Å; I173-F343 HydrophobicContact CG2-CG 4.03Å
174L87.8Confident84.1Confident118 Ų11869 Ų6962%0.61836%0.357SS*.Hα-helixtrans-63.8-41.2179.5-17367.4000112.4A170 K171 S172 F177 T178A170-L174 PolarHBondContact O-N 3.38Å; A170-L174 VanDerWaalsContact O-N 3.12Å; K171-L174 PolarHBondContact O-N 3.43Å; S172-L174 VanDerWaalsContact C-N 3.34Å; S172-L174 PolarHBondContact O-N 3.45Å; L174-F177 PolarHBondContact O-N 3.43Å; L174-T178 PolarHBondContact O-N 3.35Å; L174-T178 PolarHBondContact O-OG1 2.91Å
175K88.2Confident83.3Confident140 Ų14067.8 Ų67.861%0.60935%0.351SS*.Hα-helixtrans-61.1-45.1174.4-74.9-178.8176.9-175.70111.7K171 S172 I173 F177 T178 A179K171-K175 WeakPolarHBondContact O-CG 3.47Å; K171-K175 PolarHBondContact O-N 3.2Å; S172-K175 PolarHBondContact O-N 3.43Å; I173-K175 PolarHBondContact O-N 3.26Å; K175-F177 PolarHBondContact O-N 2.91Å; K175-T178 PolarHBondContact O-N 3Å; K175-A179 WeakPolarHBondContact O-CB 3.43Å; K175-A179 PolarHBondContact O-N 3.01Å
176M87.5Confident83.2Confident2 Ų264.9 Ų64.91%0.0134%0.339CS..Hα-helixtrans-57.6-47.4177.5-178.4-165.471.800111.6S172 I173 T180 T193 V194 T197 F343 L344 C347S172-M176 WeakPolarHBondContact O-CB 3.42Å; S172-M176 PolarHBondContact O-N 3.22Å; I173-M176 WeakPolarHBondContact O-CB 3.49Å; I173-M176 PolarHBondContact O-N 3.41Å; M176-T180 VanDerWaalsContact O-CB 3.28Å; M176-T180 WeakPolarHBondContact O-CB 3.27Å; M176-T180 PolarHBondContact O-N 3.39Å; M176-T180 PolarHBondContact O-OG1 3Å; M176-T193 HydrophobicContact CG-CG2 4.27Å; M176-V194 HydrophobicContact SD-CG2 4.46Å; M176-T197 HydrophobicContact CB-CG2 4.08Å; M176-T197 WeakPolarHBondContact CB-OG1 3.29Å; M176-T197 HydrophobicContact CG-CG2 4.33Å; M176-T197 HydrophobicContact SD-CG2 4.08Å; M176-F343 HydrophobicContact CE-CB 4.4Å; M176-L344 HydrophobicContact CE-CD2 4.27Å; M176-L344 HydrophobicContact SD-CD2 3.54Å; M176-L344 VanDerWaalsContact SD-CD2 3.54Å; M176-C347 HydrophobicContact CE-CB 4.27Å
177F86.4Confident83.1Confident34 Ų3463.4 Ų63.415%0.14933%0.331CS..Hα-helixtrans-61.5-44.3175.6-82.8-70.3000112I173 L174 K175 T180 F181 F343 C347I173-F177 HydrophobicContact CG2-CD2 3.76Å; I173-F177 HydrophobicContact CG2-CE2 3.6Å; I173-F177 VanDerWaalsContact O-CD2 3.25Å; I173-F177 WeakPolarHBondContact O-CD2 3.37Å; I173-F177 PolarHBondContact O-N 3.37Å; I173-F177 VanDerWaalsContact O-N 3.07Å; L174-F177 PolarHBondContact O-N 3.43Å; K175-F177 PolarHBondContact O-N 2.91Å; F177-T180 PolarHBondContact O-N 3.18Å; F177-F181 HydrophobicContact CB-CD2 4.42Å; F177-F181 HydrophobicContact CB-CE2 4.19Å; F177-F181 AromaticContact CD1-CE2 3.58Å; F177-F181 HydrophobicContact CD1-CE2 3.58Å; F177-F181 HydrophobicContact CD1-CZ 4.02Å; F177-F181 HydrophobicContact CE1-CE2 4.46Å; F177-F181 HydrophobicContact CG-CE2 4.35Å; F177-F181 WeakPolarHBondContact O-CD2 3.41Å; F177-F181 WeakPolarHBondContact O-CG 3.48Å; F177-F181 PolarHBondContact O-N 2.99Å; F177-F343 HydrophobicContact CE2-CB 4.13Å; F177-F343 AromaticContact CE2-CD1 3.99Å; F177-F343 HydrophobicContact CE2-CD1 3.99Å; F177-F343 HydrophobicContact CZ-CB 4.25Å; F177-F343 HydrophobicContact CZ-CD1 4.35Å; F177-C347 HydrophobicContact CD1-CB 4.23Å; F177-C347 HydrophobicContact CE1-CB 3.81Å; F177-C347 HydrophobicContact CZ-CB 4.41Å
178T87Confident82.9Confident74 Ų7460.9 Ų60.945%0.45431%0.314SS..Hα-helixtrans-61.2-53.2-179.5-51.70000111.1L174 K175 T180 F181 E182L174-T178 PolarHBondContact O-N 3.35Å; L174-T178 PolarHBondContact O-OG1 2.91Å; K175-T178 PolarHBondContact O-N 3Å; T178-T180 VanDerWaalsContact C-N 3.3Å; T178-T180 PolarHBondContact O-N 3Å; T178-F181 PolarHBondContact O-N 2.61Å; T178-E182 WeakPolarHBondContact O-CG 3.28Å; T178-E182 PolarHBondContact O-N 2.78Å; T178-E182 VanDerWaalsContact O-N 3.1Å
179A85.6Confident82.7Confident27 Ų2758.5 Ų58.522%0.22330%0.303CS..Hα-helixtrans-61.7-38179.100000112.3K175 F181 E182 T193K175-A179 WeakPolarHBondContact O-CB 3.43Å; K175-A179 PolarHBondContact O-N 3.01Å; A179-F181 VanDerWaalsContact C-N 3.34Å; A179-F181 PolarHBondContact O-N 3.27Å; A179-E182 PolarHBondContact O-N 3.26Å; A179-T193 HydrophobicContact CB-CG2 3.74Å
180T82Confident82.6Confident0 Ų057.5 Ų57.50%030%0.298CS..Hα-helixtrans-66.3-35.9177.7-56.40000112.4M176 F177 T178 V190 C347M176-T180 VanDerWaalsContact O-CB 3.28Å; M176-T180 WeakPolarHBondContact O-CB 3.27Å; M176-T180 PolarHBondContact O-N 3.39Å; M176-T180 PolarHBondContact O-OG1 3Å; F177-T180 PolarHBondContact O-N 3.18Å; T178-T180 VanDerWaalsContact C-N 3.3Å; T178-T180 PolarHBondContact O-N 3Å; T180-V190 HydrophobicContact CG2-CB 4.14Å; T180-V190 HydrophobicContact CG2-CG1 3.67Å; T180-V190 HydrophobicContact CG2-CG2 3.59Å; T180-C347 VanDerWaalsContact CB-SG 3.59Å; T180-C347 WeakPolarHBondContact CG2-SG 3.49Å; T180-C347 PolarHBondContact OG1-SG 3.44Å
181F81.2Confident82.6Confident74 Ų7455.1 Ų55.133%0.32528%0.278SS..Hα-helixtrans-85-10.7179.8-67.5-48.4000114.9F177 T178 A179 Q350 L354F177-F181 HydrophobicContact CB-CD2 4.42Å; F177-F181 HydrophobicContact CB-CE2 4.19Å; F177-F181 AromaticContact CD1-CE2 3.58Å; F177-F181 HydrophobicContact CD1-CE2 3.58Å; F177-F181 HydrophobicContact CD1-CZ 4.02Å; F177-F181 HydrophobicContact CE1-CE2 4.46Å; F177-F181 HydrophobicContact CG-CE2 4.35Å; F177-F181 WeakPolarHBondContact O-CD2 3.41Å; F177-F181 WeakPolarHBondContact O-CG 3.48Å; F177-F181 PolarHBondContact O-N 2.99Å; T178-F181 PolarHBondContact O-N 2.61Å; A179-F181 VanDerWaalsContact C-N 3.34Å; A179-F181 PolarHBondContact O-N 3.27Å; F181-Q350 HydrophobicContact CE1-CB 3.81Å; F181-Q350 HydrophobicContact CZ-CB 3.84Å; F181-L354 HydrophobicContact CD1-CD1 3.82Å; F181-L354 HydrophobicContact CE1-CD1 4.07Å
182E82.7Confident82.5Confident133 Ų13351.3 Ų51.362%0.62126%0.262SS*.Hα-helixtrans-69.1-35.7170.5-77.1174.3179.700111.9T178 A179T178-E182 WeakPolarHBondContact O-CG 3.28Å; T178-E182 PolarHBondContact O-N 2.78Å; T178-E182 VanDerWaalsContact O-N 3.1Å; A179-E182 PolarHBondContact O-N 3.26Å
183N75.5Confident82.4Confident84 Ų8451.5 Ų51.545%0.44926%0.263SS..SBendtrans-132.768179.3-66.1-63.4000111.7D185 S186N183-D185 PolarHBondContact O-N 3.43Å; N183-S186 PolarHBondContact O-N 3.25Å
184P70Confident82.4Confident23 Ų2350.7 Ų50.715%0.14926%0.259CS..THydrogen-bonded Turntrans-65.1-23.9-176.428.1-34.4000112.5S186 M351 L354 N355P184-S186 PolarHBondContact O-N 3.1Å; P184-M351 WeakPolarHBondContact O-CG 3.44Å; P184-L354 HydrophobicContact CB-CB 4Å; P184-L354 HydrophobicContact CB-CD1 3.78Å; P184-L354 HydrophobicContact CG-CD1 4.36Å; P184-N355 PolarHBondContact O-ND2 3.26Å; P184-N355 PolarHBondContact O-OD1 3.07Å
185D68.1Low82.4Confident85 Ų8545.6 Ų45.646%0.45523%0.233SC..THydrogen-bonded Turntrans-72.4-16.2-173.4-58.2-24.9000113.3N183 N355 H358N183-D185 PolarHBondContact O-N 3.43Å; D185-N355 VanDerWaalsContact CA-OD1 3.24Å; D185-N355 WeakPolarHBondContact CA-OD1 3.21Å; D185-N355 PolarHBondContact O-OD1 3.31Å; D185-H358 IonicContact OD1-CG 3.15Å; D185-H358 IonicContact OD1-ND1 2.77Å; D185-H358 IonicContact OD2-CE1 3.58Å; D185-H358 IonicContact OD2-ND1 3.8Å
186S77.8Confident82.3Confident39 Ų3944.1 Ų44.127%0.27323%0.228SC..  trans-10799.2-174.4-177.70000112.6N183 P184 F188 H189 V190N183-S186 PolarHBondContact O-N 3.25Å; P184-S186 PolarHBondContact O-N 3.1Å; S186-F188 PolarHBondContact O-N 3.13Å; S186-F188 VanDerWaalsContact O-N 3.09Å; S186-H189 PolarHBondContact O-N 3.13Å; S186-H189 VanDerWaalsContact O-N 3.09Å; S186-H189 PolarHBondContact OG-N 3.47Å; S186-V190 WeakPolarHBondContact O-CG2 3.21Å; S186-V190 PolarHBondContact O-N 3.02Å
187K79.3Confident82.1Confident79 Ų7944.6 Ų44.634%0.34323%0.231SC..Hα-helixtrans-53.9-29171.4-62.5-173.3177.5170.90113.3A191 W211 F222 M351K187-A191 WeakPolarHBondContact O-CB 3.47Å; K187-A191 PolarHBondContact O-N 3.5Å; K187-W211 HydrophobicContact CB-CZ2 4.28Å; K187-F222 HydrophobicContact CB-CE2 3.64Å; K187-F222 HydrophobicContact CB-CZ 3.81Å; K187-F222 HydrophobicContact CD-CE2 4.5Å; K187-F222 HydrophobicContact CD-CZ 4.32Å; K187-M351 HydrophobicContact CB-CE 4.05Å; K187-M351 HydrophobicContact CG-CE 3.74Å
188F83.3Confident82Confident25 Ų2543.1 Ų43.111%0.1123%0.225CC..Hα-helixtrans-69.2-51.2175.2172.6-100.7000112S186 V190 A191 E192 F222 K224 I233S186-F188 PolarHBondContact O-N 3.13Å; S186-F188 VanDerWaalsContact O-N 3.09Å; F188-V190 VanDerWaalsContact C-N 3.27Å; F188-V190 PolarHBondContact O-N 3.14Å; F188-A191 WeakPolarHBondContact O-CB 3.44Å; F188-A191 PolarHBondContact O-N 3.27Å; F188-A191 VanDerWaalsContact O-N 3.07Å; F188-E192 PolarHBondContact O-N 3.45Å; F188-F222 HydrophobicContact CB-CB 4.28Å; F188-F222 HydrophobicContact CB-CG 4.33Å; F188-F222 HydrophobicContact CD2-CB 3.59Å; F188-F222 HydrophobicContact CE2-CB 4.47Å; F188-F222 HydrophobicContact CG-CB 4.41Å; F188-K224 HydrophobicContact CE1-CD 4.32Å; F188-K224 HydrophobicContact CE2-CB 4.02Å; F188-K224 HydrophobicContact CZ-CB 3.7Å; F188-K224 HydrophobicContact CZ-CD 3.9Å; F188-K224 HydrophobicContact CZ-CG 4.23Å; F188-I233 HydrophobicContact CB-CD1 4.2Å; F188-I233 HydrophobicContact CB-CG2 4.02Å; F188-I233 HydrophobicContact CD1-CD1 3.51Å; F188-I233 HydrophobicContact CD1-CG1 4.01Å; F188-I233 HydrophobicContact CD2-CG2 3.84Å; F188-I233 HydrophobicContact CE1-CD1 4.13Å; F188-I233 HydrophobicContact CE1-CG1 4.27Å; F188-I233 HydrophobicContact CG-CD1 3.85Å; F188-I233 HydrophobicContact CG-CG1 4.18Å; F188-I233 HydrophobicContact CG-CG2 3.83Å
189H82.4Confident81.9Confident48 Ų4844.4 Ų44.422%0.22222%0.224CC..Hα-helixtrans-62.5-37.7-177.6-174.464.3000112S186 E192 T193S186-H189 PolarHBondContact O-N 3.13Å; S186-H189 VanDerWaalsContact O-N 3.09Å; S186-H189 PolarHBondContact OG-N 3.47Å; H189-E192 PolarHBondContact O-N 3.32Å; H189-T193 WeakPolarHBondContact O-CB 3.27Å; H189-T193 PolarHBondContact O-N 3.17Å; H189-T193 PolarHBondContact O-OG1 2.82Å
190V83.3Confident81.6Confident0 Ų048.1 Ų48.10%024%0.237CC..Hα-helixtrans-63-44.5173.6179.60000111.4T180 S186 F188 E192 T193 V194 W211 L348 M351T180-V190 HydrophobicContact CG2-CB 4.14Å; T180-V190 HydrophobicContact CG2-CG1 3.67Å; T180-V190 HydrophobicContact CG2-CG2 3.59Å; S186-V190 WeakPolarHBondContact O-CG2 3.21Å; S186-V190 PolarHBondContact O-N 3.02Å; F188-V190 VanDerWaalsContact C-N 3.27Å; F188-V190 PolarHBondContact O-N 3.14Å; V190-E192 VanDerWaalsContact C-N 3.33Å; V190-E192 PolarHBondContact O-N 3.1Å; V190-T193 PolarHBondContact O-N 3.2Å; V190-V194 HydrophobicContact CG1-CG2 4.41Å; V190-V194 WeakPolarHBondContact O-CB 3.4Å; V190-V194 VanDerWaalsContact O-CG2 3.27Å; V190-V194 WeakPolarHBondContact O-CG2 3.3Å; V190-V194 PolarHBondContact O-N 2.83Å; V190-W211 HydrophobicContact CG1-CH2 4.48Å; V190-W211 HydrophobicContact CG1-CZ2 4.43Å; V190-L348 HydrophobicContact CG1-CD2 3.71Å; V190-M351 HydrophobicContact CB-CE 3.75Å; V190-M351 HydrophobicContact CG1-CE 4.04Å; V190-M351 HydrophobicContact CG2-CE 3.55Å; V190-M351 HydrophobicContact CG2-CG 3.96Å
191A85.5Confident81.4Confident11 Ų1150.3 Ų50.39%0.09125%0.247CC..Hα-helixtrans-62.3-40.9177.600000112.1K187 F188 C195 L209K187-A191 WeakPolarHBondContact O-CB 3.47Å; K187-A191 PolarHBondContact O-N 3.5Å; F188-A191 WeakPolarHBondContact O-CB 3.44Å; F188-A191 PolarHBondContact O-N 3.27Å; F188-A191 VanDerWaalsContact O-N 3.07Å; A191-C195 WeakPolarHBondContact O-CB 3.36Å; A191-C195 PolarHBondContact O-N 3.03Å; A191-C195 PolarHBondContact O-SG 2.91Å; A191-L209 HydrophobicContact CB-CB 4.13Å; A191-L209 HydrophobicContact CB-CD2 3.84Å
192E85.9Confident81.1Confident58 Ų5847.1 Ų47.127%0.27123%0.233SC..Hα-helixtrans-62.5-53176.4-168.3172-132.400110.8F188 H189 V190 V194 C195 E196 K224F188-E192 PolarHBondContact O-N 3.45Å; H189-E192 PolarHBondContact O-N 3.32Å; V190-E192 VanDerWaalsContact C-N 3.33Å; V190-E192 PolarHBondContact O-N 3.1Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 2.87Å; E192-C195 PolarHBondContact O-N 3.26Å; E192-C195 VanDerWaalsContact O-N 3.1Å; E192-E196 WeakPolarHBondContact O-CG 3.49Å; E192-E196 PolarHBondContact O-N 2.79Å; E192-K224 IonicContact OE1-NZ 2.98Å
193T85.6Confident80.4Confident10 Ų1045.9 Ų45.96%0.06124%0.239CC..Hα-helixtrans-57.3-43.6179-57.30000112.3M176 A179 H189 V190 E196 T197M176-T193 HydrophobicContact CG-CG2 4.27Å; A179-T193 HydrophobicContact CB-CG2 3.74Å; H189-T193 WeakPolarHBondContact O-CB 3.27Å; H189-T193 PolarHBondContact O-N 3.17Å; H189-T193 PolarHBondContact O-OG1 2.82Å; V190-T193 PolarHBondContact O-N 3.2Å; T193-E196 PolarHBondContact O-N 3.45Å; T193-T197 WeakPolarHBondContact O-CB 3.42Å; T193-T197 PolarHBondContact O-N 2.99Å; T193-T197 PolarHBondContact O-OG1 2.89Å
194V86.4Confident80.3Confident0 Ų043.1 Ų43.10%023%0.226CC..Hα-helixtrans-62.6-48.3176.3163.10000110.6M176 V190 E192 E196 T197 I198 L318 L344 L348M176-V194 HydrophobicContact SD-CG2 4.46Å; V190-V194 HydrophobicContact CG1-CG2 4.41Å; V190-V194 WeakPolarHBondContact O-CB 3.4Å; V190-V194 VanDerWaalsContact O-CG2 3.27Å; V190-V194 WeakPolarHBondContact O-CG2 3.3Å; V190-V194 PolarHBondContact O-N 2.83Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 2.87Å; V194-E196 VanDerWaalsContact C-N 3.34Å; V194-E196 PolarHBondContact O-N 3.4Å; V194-T197 PolarHBondContact O-N 3.49Å; V194-I198 HydrophobicContact CG1-CD1 3.79Å; V194-I198 VanDerWaalsContact O-CD1 3.31Å; V194-I198 WeakPolarHBondContact O-CD1 3.37Å; V194-I198 WeakPolarHBondContact O-CG1 3.31Å; V194-I198 PolarHBondContact O-N 2.95Å; V194-I198 VanDerWaalsContact O-N 3.13Å; V194-L318 HydrophobicContact CG1-CD1 4.46Å; V194-L344 HydrophobicContact CB-CD2 4.28Å; V194-L344 HydrophobicContact CG1-CD2 3.58Å; V194-L344 HydrophobicContact CG2-CD2 3.92Å; V194-L348 HydrophobicContact CG2-CD2 4.46Å
195C86.7Confident80.6Confident11 Ų1148.3 Ų48.37%0.07425%0.248CC..Hα-helixtrans-64.7-37-179.4-690000112.4A191 E192 I198 K199 C207A191-C195 WeakPolarHBondContact O-CB 3.36Å; A191-C195 PolarHBondContact O-N 3.03Å; A191-C195 PolarHBondContact O-SG 2.91Å; E192-C195 PolarHBondContact O-N 3.26Å; E192-C195 VanDerWaalsContact O-N 3.1Å; C195-I198 PolarHBondContact O-N 2.96Å; C195-K199 VanDerWaalsContact O-CG 3.3Å; C195-K199 WeakPolarHBondContact O-CG 3.47Å; C195-K199 PolarHBondContact O-N 2.82Å; C195-K199 VanDerWaalsContact O-N 3.13Å; C195-C207 HydrophobicContact CB-CB 4.14Å; C195-C207 PolarHBondContact SG-O 2.94Å
196E85.6Confident81.2Confident110 Ų11046.4 Ų46.451%0.51424%0.238SC..Hα-helixtrans-64.5-45.6174.3-73.5-178.5169.200111.9E192 T193 V194 I198 K199 E200E192-E196 WeakPolarHBondContact O-CG 3.49Å; E192-E196 PolarHBondContact O-N 2.79Å; T193-E196 PolarHBondContact O-N 3.45Å; V194-E196 VanDerWaalsContact C-N 3.34Å; V194-E196 PolarHBondContact O-N 3.4Å; E196-I198 PolarHBondContact O-N 3.2Å; E196-K199 WeakPolarHBondContact O-CB 3.48Å; E196-K199 PolarHBondContact O-N 3.42Å; E196-K199 VanDerWaalsContact O-N 3.1Å; E196-E200 PolarHBondContact O-N 3.05Å
197T84.4Confident81.5Confident12 Ų1245 Ų457%0.07423%0.228CC..Hα-helixtrans-58.8-38.6177.7-55.20000111.4M176 T193 V194 E200 F201M176-T197 HydrophobicContact CB-CG2 4.08Å; M176-T197 WeakPolarHBondContact CB-OG1 3.29Å; M176-T197 HydrophobicContact CG-CG2 4.33Å; M176-T197 HydrophobicContact SD-CG2 4.08Å; T193-T197 WeakPolarHBondContact O-CB 3.42Å; T193-T197 PolarHBondContact O-N 2.99Å; T193-T197 PolarHBondContact O-OG1 2.89Å; V194-T197 PolarHBondContact O-N 3.49Å; T197-E200 PolarHBondContact O-N 3.32Å; T197-F201 VanDerWaalsContact O-CD2 3.28Å; T197-F201 WeakPolarHBondContact O-CD2 3.42Å
198I83.9Confident81.8Confident2 Ų245.6 Ų45.61%0.0123%0.228CC..Hα-helixtrans-69.9-38.9178-68.6154000111.7V194 C195 E196 E200 F201 V202 L318 I320 L344V194-I198 HydrophobicContact CG1-CD1 3.79Å; V194-I198 VanDerWaalsContact O-CD1 3.31Å; V194-I198 WeakPolarHBondContact O-CD1 3.37Å; V194-I198 WeakPolarHBondContact O-CG1 3.31Å; V194-I198 PolarHBondContact O-N 2.95Å; V194-I198 VanDerWaalsContact O-N 3.13Å; C195-I198 PolarHBondContact O-N 2.96Å; E196-I198 PolarHBondContact O-N 3.2Å; I198-E200 PolarHBondContact O-N 3.37Å; I198-F201 PolarHBondContact O-N 3.06Å; I198-F201 VanDerWaalsContact O-N 3.14Å; I198-V202 PolarHBondContact O-N 3.12Å; I198-L318 HydrophobicContact CD1-CD1 3.46Å; I198-L318 VanDerWaalsContact CD1-CD1 3.46Å; I198-L318 HydrophobicContact CD1-CD2 3.29Å; I198-L318 HydrophobicContact CD1-CG 3.95Å; I198-L318 HydrophobicContact CG1-CD2 4.31Å; I198-I320 HydrophobicContact CG2-CD1 3.61Å; I198-I320 HydrophobicContact CG2-CG1 4.16Å; I198-L344 HydrophobicContact CD1-CD1 4.23Å
199K84.1Confident82Confident102 Ų10244.6 Ų44.644%0.44322%0.224SC..Hα-helixtrans-61.6-25.2177-75.3170.4-178.9-179.20112.6C195 E196 F201 C204 C207C195-K199 VanDerWaalsContact O-CG 3.3Å; C195-K199 WeakPolarHBondContact O-CG 3.47Å; C195-K199 PolarHBondContact O-N 2.82Å; C195-K199 VanDerWaalsContact O-N 3.13Å; E196-K199 WeakPolarHBondContact O-CB 3.48Å; E196-K199 PolarHBondContact O-N 3.42Å; E196-K199 VanDerWaalsContact O-N 3.1Å; K199-F201 VanDerWaalsContact C-N 3.35Å; K199-C204 VanDerWaalsContact CG-SG 3.59Å; K199-C207 HydrophobicContact CG-CB 4.32Å
200E80.6Confident82.2Confident105 Ų10543.2 Ų43.249%0.49122%0.217SC..Hα-helixtrans-66.7-32.7174.8-65.4-172.3166.900113.2S172 E196 T197 I198S172-E200 VanDerWaalsContact CB-OE2 3.27Å; S172-E200 WeakPolarHBondContact CB-OE2 3.45Å; S172-E200 PolarHBondContact OG-OE2 3.44Å; E196-E200 PolarHBondContact O-N 3.05Å; T197-E200 PolarHBondContact O-N 3.32Å; I198-E200 PolarHBondContact O-N 3.37Å
201F76.6Confident82.3Confident46 Ų4643.6 Ų43.620%0.20222%0.218CC..Hα-helixtrans-104.5-25.9-174.3-64.7-76.7000114.1H168 L169 S172 T197 I198 K199 V336 L340H168-F201 AromaticContact ND1-CE1 3.41Å; H168-F201 WeakPolarHBondContact ND1-CE1 3.3Å; H168-F201 AromaticContact ND1-CZ 3.54Å; L169-F201 HydrophobicContact CB-CE1 4.04Å; L169-F201 HydrophobicContact CB-CZ 4.28Å; L169-F201 HydrophobicContact CD1-CD1 4.08Å; L169-F201 HydrophobicContact CD1-CD2 4.27Å; L169-F201 HydrophobicContact CD1-CE1 3.7Å; L169-F201 HydrophobicContact CD1-CE2 3.94Å; L169-F201 HydrophobicContact CD1-CG 4.36Å; L169-F201 HydrophobicContact CD1-CZ 3.66Å; S172-F201 VanDerWaalsContact CB-CE2 3.48Å; S172-F201 VanDerWaalsContact CB-CZ 3.48Å; S172-F201 WeakPolarHBondContact OG-CZ 3.35Å; T197-F201 VanDerWaalsContact O-CD2 3.28Å; T197-F201 WeakPolarHBondContact O-CD2 3.42Å; I198-F201 PolarHBondContact O-N 3.06Å; I198-F201 VanDerWaalsContact O-N 3.14Å; K199-F201 VanDerWaalsContact C-N 3.35Å; F201-V336 HydrophobicContact CB-CG1 3.69Å; F201-V336 HydrophobicContact CD1-CG1 4.07Å; F201-V336 HydrophobicContact CG-CG1 3.84Å; F201-L340 HydrophobicContact CD2-CD1 4.13Å
202V74.6Confident82.1Confident7 Ų743.7 Ų43.74%0.04222%0.218CC..SBendtrans-120.2118.6-177.5-175.40000108.7I198 C204 I320 F329 V337I198-V202 PolarHBondContact O-N 3.12Å; V202-C204 PolarHBondContact O-N 3.47Å; V202-C204 PolarHBondContact O-SG 3.43Å; V202-I320 HydrophobicContact CG1-CG2 4.17Å; V202-F329 HydrophobicContact CG1-CD1 4Å; V202-F329 HydrophobicContact CG1-CE1 3.91Å; V202-V337 HydrophobicContact CG2-CG2 3.51Å
203S68.7Low81.7Confident106 Ų10642.4 Ų42.474%0.74121%0.213SC*.  trans-65.796.2171.6-48.90000110
204C74.2Confident81.1Confident27 Ų2745.1 Ų45.118%0.18223%0.227CC..  trans-126.9148.9178.360.60000111.4K199 V202 I320 T321K199-C204 VanDerWaalsContact CG-SG 3.59Å; V202-C204 PolarHBondContact O-N 3.47Å; V202-C204 PolarHBondContact O-SG 3.43Å; C204-I320 HydrophobicContact CB-CG2 3.44Å; C204-I320 VanDerWaalsContact CB-CG2 3.44Å; C204-T321 CarbonylContact C-O 3.41Å; C204-T321 WeakPolarHBondContact CA-O 3.48Å; C204-T321 WeakPolarHBondContact CB-O 3.5Å
205E76.1Confident80.4Confident131 Ų13153.7 Ų53.761%0.61227%0.267SS*.SBendtrans-79.6-39.5175.1-177175.417400110.7T321 S323E205-T321 PolarHBondContact N-O 3.03Å; E205-S323 WeakPolarHBondContact OE2-CA 3.48Å
206D80.1Confident79.7Confident46 Ų4660.3 Ų60.325%0.24629%0.29CS..EExtended strand (participates in β ladder)trans-142143.6-178.2-165.59000110.9R208 T321D206-R208 IonicContact OD1-NE 3.75Å; D206-R208 IonicContact OD2-CZ 3.78Å; D206-R208 IonicContact OD2-NE 2.71Å; D206-R208 PolarHBondContact OD2-NE 3.3Å; D206-R208 IonicContact OD2-NH2 2.77Å; D206-R208 PolarHBondContact OD2-NH2 3.19Å; D206-T321 PolarHBondContact N-O 2.79Å; D206-T321 PolarHBondContact O-N 3.04Å
207C83.5Confident79.1Confident8 Ų859.6 Ų59.65%0.05429%0.29CS..EExtended strand (participates in β ladder)trans-139.9122.5178.9-1730000108.6C195 K199 Q319C195-C207 HydrophobicContact CB-CB 4.14Å; C195-C207 PolarHBondContact SG-O 2.94Å; K199-C207 HydrophobicContact CG-CB 4.32Å; C207-Q319 CarbonylContact C-O 3.53Å; C207-Q319 VanDerWaalsContact CA-O 3.31Å; C207-Q319 WeakPolarHBondContact CA-O 3.12Å
208R85.8Confident78.8Confident92 Ų9261.7 Ų61.735%0.34730%0.299SS..EExtended strand (participates in β ladder)trans-129.2139.9-175-59.7-177.5-171.1-175.3-0.9111D206 Y210 F221 L318 Q319D206-R208 IonicContact OD1-NE 3.75Å; D206-R208 IonicContact OD2-CZ 3.78Å; D206-R208 IonicContact OD2-NE 2.71Å; D206-R208 PolarHBondContact OD2-NE 3.3Å; D206-R208 IonicContact OD2-NH2 2.77Å; D206-R208 PolarHBondContact OD2-NH2 3.19Å; R208-Y210 HydrophobicContact CB-CE2 3.84Å; R208-F221 HydrophobicContact CB-CD2 4.5Å; R208-F221 HydrophobicContact CB-CE2 3.86Å; R208-F221 HydrophobicContact CG-CE2 3.97Å; R208-F221 HydrophobicContact CG-CZ 4.25Å; R208-L318 CarbonylContact O-C 3.55Å; R208-L318 WeakPolarHBondContact O-CA 3.4Å; R208-Q319 HydrophobicContact CB-CB 4.39Å; R208-Q319 PolarHBondContact N-O 3.09Å; R208-Q319 PolarHBondContact O-N 3.22Å
209L87.3Confident78.6Confident4 Ų461.6 Ų61.62%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-111.7121.2173.9-171.374000109.8A191 W211 I308 A316 L318 L348A191-L209 HydrophobicContact CB-CB 4.13Å; A191-L209 HydrophobicContact CB-CD2 3.84Å; L209-W211 HydrophobicContact CD2-CZ2 4.07Å; L209-I308 HydrophobicContact CD1-CD1 3.92Å; L209-A316 HydrophobicContact CD1-CB 4.04Å; L209-A316 HydrophobicContact CG-CB 4.44Å; L209-L318 HydrophobicContact CD1-CB 4.2Å; L209-L318 HydrophobicContact CD1-CD1 4.01Å; L209-L348 HydrophobicContact CD2-CD2 4.21Å
210Y86.4Confident78.4Confident19 Ų1957.3 Ų57.38%0.07528%0.28CS..EExtended strand (participates in β ladder)trans-103.3118.6174.9-64.1-88.6000108.9R208 F221 F238 L245 W305 A316 I317 Q319R208-Y210 HydrophobicContact CB-CE2 3.84Å; Y210-F221 HydrophobicContact CD1-CB 3.87Å; Y210-F221 HydrophobicContact CD1-CD2 4.34Å; Y210-F221 HydrophobicContact CD1-CG 4.37Å; Y210-F221 HydrophobicContact CE1-CB 3.87Å; Y210-F221 HydrophobicContact CE1-CD2 4.08Å; Y210-F221 HydrophobicContact CE1-CG 4.02Å; Y210-F238 HydrophobicContact CE1-CE2 4.47Å; Y210-L245 HydrophobicContact CD1-CD1 4.06Å; Y210-L245 HydrophobicContact CD2-CD2 4.05Å; Y210-L245 HydrophobicContact CE1-CD1 4.24Å; Y210-L245 HydrophobicContact CE2-CD2 4.48Å; Y210-L245 HydrophobicContact CG-CD1 4.36Å; Y210-L245 HydrophobicContact CG-CD2 4.13Å; Y210-W305 HydrophobicContact CD2-CZ3 4.45Å; Y210-W305 HydrophobicContact CE2-CZ3 4.17Å; Y210-A316 CarbonylContact O-C 3.32Å; Y210-A316 WeakPolarHBondContact O-CA 3.45Å; Y210-A316 WeakPolarHBondContact O-CB 3.47Å; Y210-I317 PolarHBondContact N-O 3.34Å; Y210-I317 PolarHBondContact O-N 3.46Å; Y210-Q319 HydrophobicContact CE2-CB 4.06Å; Y210-Q319 PolarHBondContact OH-OE1 3.09Å
211W85.8Confident78.6Confident8 Ų853.4 Ų53.43%0.0326%0.262CS..EExtended strand (participates in β ladder)trans-78.7147.4172.3-63.189.6000110K187 V190 L209 F219 I220 F222 L348 M351K187-W211 HydrophobicContact CB-CZ2 4.28Å; V190-W211 HydrophobicContact CG1-CH2 4.48Å; V190-W211 HydrophobicContact CG1-CZ2 4.43Å; L209-W211 HydrophobicContact CD2-CZ2 4.07Å; W211-F219 CarbonylContact O-C 3.57Å; W211-F219 VanDerWaalsContact O-CA 3.28Å; W211-F219 WeakPolarHBondContact O-CA 3.37Å; W211-I220 HydrophobicContact CB-CB 4.14Å; W211-I220 PolarHBondContact N-O 3.5Å; W211-I220 PolarHBondContact O-N 3.46Å; W211-F222 AromaticContact CD1-CD2 3.84Å; W211-F222 AromaticContact CD1-CE2 3.56Å; W211-F222 HydrophobicContact CG-CE2 4.45Å; W211-F222 AromaticContact NE1-CD2 3.88Å; W211-F222 AromaticContact NE1-CE2 3.7Å; W211-L348 HydrophobicContact CH2-CB 4.36Å; W211-L348 HydrophobicContact CH2-CD2 3.45Å; W211-L348 VanDerWaalsContact CH2-CD2 3.45Å; W211-L348 HydrophobicContact CH2-CG 4.29Å; W211-L348 HydrophobicContact CZ2-CD2 4.03Å; W211-L348 HydrophobicContact CZ3-CB 4.26Å; W211-L348 HydrophobicContact CZ3-CD1 4.4Å; W211-L348 HydrophobicContact CZ3-CD2 4.07Å; W211-L348 HydrophobicContact CZ3-CG 4.46Å; W211-M351 HydrophobicContact CH2-CE 3.28Å; W211-M351 HydrophobicContact CH2-SD 4.09Å; W211-M351 HydrophobicContact CZ2-CE 3.59Å; W211-M351 HydrophobicContact CZ3-CE 4.25Å
212V82.8Confident78.8Confident13 Ų1352.6 Ų52.68%0.07926%0.258CS..EExtended strand (participates in β ladder)trans-106.2116.4174.7-173.80000109.5N214 F219 I314 M315V212-N214 WeakPolarHBondContact CG1-OD1 3.39Å; V212-F219 HydrophobicContact CG2-CD1 3.9Å; V212-F219 HydrophobicContact CG2-CE1 3.68Å; V212-I314 HydrophobicContact CG2-CG2 3.87Å; V212-M315 PolarHBondContact N-O 3.5Å
213D77.1Confident79Confident31 Ų3156.7 Ų56.717%0.16628%0.276CS..EExtended strand (participates in β ladder)trans-8998.4166-172.2-22000108.5E215 R216 N217 E218 I220D213-E215 VanDerWaalsContact C-N 3.27Å; D213-E215 PolarHBondContact O-N 3.44Å; D213-E215 PolarHBondContact OD1-N 3.48Å; D213-R216 HydrophobicContact CB-CB 4.46Å; D213-R216 PolarHBondContact OD1-N 3.32Å; D213-R216 WeakPolarHBondContact OD2-CD 3.37Å; D213-R216 WeakPolarHBondContact OD2-CG 3.4Å; D213-R216 IonicContact OD2-NE 3.77Å; D213-N217 VanDerWaalsContact O-CA 3.31Å; D213-N217 WeakPolarHBondContact O-CA 3.43Å; D213-N217 PolarHBondContact O-N 3.1Å; D213-E218 HydrophobicContact CB-CB 4.47Å; D213-E218 WeakPolarHBondContact CB-O 3.31Å; D213-E218 PolarHBondContact N-O 2.9Å; D213-E218 PolarHBondContact O-N 2.9Å; D213-E218 VanDerWaalsContact O-N 3.12Å; D213-I220 HydrophobicContact CB-CD1 4.05Å; D213-I220 HydrophobicContact CB-CG1 4.44Å
214N72.1Confident79.2Confident67 Ų6756.3 Ų56.336%0.35826%0.26SS..THydrogen-bonded Turntrans-73.8-17.4-179.1-69-66000113.1V212 Q313 I314V212-N214 WeakPolarHBondContact CG1-OD1 3.39Å; N214-Q313 PolarHBondContact ND2-NE2 2.96Å; N214-I314 PolarHBondContact ND2-O 2.97Å
215E71.7Confident78.7Confident181 Ų18157 Ų5785%0.84626%0.262SS*.THydrogen-bonded Turntrans-79.7-40.5177.2-63.4-174.9170.800110.6D213D213-E215 VanDerWaalsContact C-N 3.27Å; D213-E215 PolarHBondContact O-N 3.44Å; D213-E215 PolarHBondContact OD1-N 3.48Å
216R72Confident77.5Confident150 Ų15056 Ų5657%0.56627%0.265SS*.THydrogen-bonded Turntrans-93.4-9.5-179.2-59.7-174.9-177.8-155.3-0.9113.9D213 E218D213-R216 HydrophobicContact CB-CB 4.46Å; D213-R216 PolarHBondContact OD1-N 3.32Å; D213-R216 WeakPolarHBondContact OD2-CD 3.37Å; D213-R216 WeakPolarHBondContact OD2-CG 3.4Å; D213-R216 IonicContact OD2-NE 3.77Å; R216-E218 VanDerWaalsContact C-N 3.3Å; R216-E218 HydrophobicContact CB-CB 4.34Å; R216-E218 HydrophobicContact CB-CG 3.94Å
217N73.6Confident75.7Confident95 Ų9559.7 Ų59.751%0.50829%0.285SS..THydrogen-bonded Turntrans54.247.7-169.8-61.9-56000111.6D213 V240D213-N217 VanDerWaalsContact O-CA 3.31Å; D213-N217 WeakPolarHBondContact O-CA 3.43Å; D213-N217 PolarHBondContact O-N 3.1Å; N217-V240 HydrophobicContact CB-CB 4.36Å; N217-V240 VanDerWaalsContact O-CB 3.24Å; N217-V240 WeakPolarHBondContact O-CB 3.44Å; N217-V240 WeakPolarHBondContact O-CG2 3.32Å; N217-V240 PolarHBondContact O-N 2.93Å
218E77.1Confident73.9Confident55 Ų5569.2 Ų69.226%0.25733%0.326SS..EExtended strand (participates in β ladder)trans-124.5146-179.6-65.9178.8153.300111.1D213 R216 R237 F238D213-E218 HydrophobicContact CB-CB 4.47Å; D213-E218 WeakPolarHBondContact CB-O 3.31Å; D213-E218 PolarHBondContact N-O 2.9Å; D213-E218 PolarHBondContact O-N 2.9Å; D213-E218 VanDerWaalsContact O-N 3.12Å; R216-E218 VanDerWaalsContact C-N 3.3Å; R216-E218 HydrophobicContact CB-CB 4.34Å; R216-E218 HydrophobicContact CB-CG 3.94Å; E218-R237 WeakPolarHBondContact OE2-CD 3.45Å; E218-R237 IonicContact OE2-NH1 3.9Å; E218-F238 CarbonylContact C-O 3.57Å; E218-F238 VanDerWaalsContact CA-O 3.3Å; E218-F238 WeakPolarHBondContact CA-O 3.43Å
219F79.5Confident71.9Confident0 Ų074.6 Ų74.60%035%0.352CS..EExtended strand (participates in β ladder)trans-89.5136.3162.6-68.3-70.8000110W211 V212 R237 F238 V240 L245 L249 I317W211-F219 CarbonylContact O-C 3.57Å; W211-F219 VanDerWaalsContact O-CA 3.28Å; W211-F219 WeakPolarHBondContact O-CA 3.37Å; V212-F219 HydrophobicContact CG2-CD1 3.9Å; V212-F219 HydrophobicContact CG2-CE1 3.68Å; F219-R237 CarbonylContact O-C 3.57Å; F219-R237 VanDerWaalsContact O-CA 3.25Å; F219-R237 WeakPolarHBondContact O-CA 3.46Å; F219-F238 HydrophobicContact CB-CB 4.29Å; F219-F238 HydrophobicContact CB-CD2 4.46Å; F219-F238 PolarHBondContact N-O 3.39Å; F219-F238 PolarHBondContact O-N 3.28Å; F219-V240 HydrophobicContact CD2-CB 4.47Å; F219-V240 HydrophobicContact CD2-CG2 3.93Å; F219-V240 HydrophobicContact CE2-CB 4.17Å; F219-V240 HydrophobicContact CE2-CG1 4.46Å; F219-V240 HydrophobicContact CE2-CG2 3.87Å; F219-V240 HydrophobicContact CG-CG2 4.34Å; F219-V240 HydrophobicContact CZ-CG2 4.24Å; F219-L245 HydrophobicContact CB-CD1 4.42Å; F219-L245 HydrophobicContact CD1-CD1 4.49Å; F219-L245 HydrophobicContact CD2-CB 3.99Å; F219-L245 HydrophobicContact CD2-CD1 3.8Å; F219-L245 HydrophobicContact CD2-CG 4.49Å; F219-L245 HydrophobicContact CE1-CB 4.29Å; F219-L245 HydrophobicContact CE2-CB 3.33Å; F219-L245 HydrophobicContact CE2-CD1 4.04Å; F219-L245 HydrophobicContact CE2-CG 4.25Å; F219-L245 HydrophobicContact CG-CD1 4Å; F219-L245 HydrophobicContact CZ-CB 3.47Å; F219-L245 VanDerWaalsContact CZ-CB 3.47Å; F219-L245 HydrophobicContact CZ-CD1 4.45Å; F219-L245 HydrophobicContact CZ-CD2 4.49Å; F219-L245 HydrophobicContact CZ-CG 4.36Å; F219-L249 HydrophobicContact CE1-CD1 3.9Å; F219-L249 HydrophobicContact CE1-CG 4.37Å; F219-L249 HydrophobicContact CE2-CD1 3.82Å; F219-L249 HydrophobicContact CZ-CD1 3.12Å; F219-L249 HydrophobicContact CZ-CG 3.87Å; F219-I317 HydrophobicContact CE1-CD1 3.55Å; F219-I317 HydrophobicContact CE1-CG1 4.28Å; F219-I317 HydrophobicContact CZ-CD1 3.87Å
220I81Confident69.4Low12 Ų1281.8 Ų81.86%0.06239%0.386CS..EExtended strand (participates in β ladder)trans-114.8124.1177-50.5173.4000109W211 D213 F222 Q235 E236 R237W211-I220 HydrophobicContact CB-CB 4.14Å; W211-I220 PolarHBondContact N-O 3.5Å; W211-I220 PolarHBondContact O-N 3.46Å; D213-I220 HydrophobicContact CB-CD1 4.05Å; D213-I220 HydrophobicContact CB-CG1 4.44Å; I220-F222 HydrophobicContact CG2-CE1 4.36Å; I220-F222 HydrophobicContact CG2-CE2 3.93Å; I220-F222 HydrophobicContact CG2-CZ 3.83Å; I220-Q235 HydrophobicContact CG2-CG 3.45Å; I220-Q235 VanDerWaalsContact CG2-CG 3.45Å; I220-E236 WeakPolarHBondContact CA-O 3.39Å; I220-R237 HydrophobicContact CG1-CG 4.38Å
221F84.6Confident67.6Low23 Ų2384.6 Ų84.610%0.10141%0.408CS..EExtended strand (participates in β ladder)trans-120.4140.7174.7175.6-112.1000109.6R208 Y210 K223 Q235 E236 F238R208-F221 HydrophobicContact CB-CD2 4.5Å; R208-F221 HydrophobicContact CB-CE2 3.86Å; R208-F221 HydrophobicContact CG-CE2 3.97Å; R208-F221 HydrophobicContact CG-CZ 4.25Å; Y210-F221 HydrophobicContact CD1-CB 3.87Å; Y210-F221 HydrophobicContact CD1-CD2 4.34Å; Y210-F221 HydrophobicContact CD1-CG 4.37Å; Y210-F221 HydrophobicContact CE1-CB 3.87Å; Y210-F221 HydrophobicContact CE1-CD2 4.08Å; Y210-F221 HydrophobicContact CE1-CG 4.02Å; F221-K223 HydrophobicContact CE1-CB 3.95Å; F221-K223 HydrophobicContact CE1-CG 4.47Å; F221-Q235 CarbonylContact O-C 3.48Å; F221-Q235 WeakPolarHBondContact O-CA 3.49Å; F221-E236 HydrophobicContact CB-CB 4.48Å; F221-E236 HydrophobicContact CD1-CB 4.46Å; F221-E236 PolarHBondContact N-O 2.97Å; F221-E236 PolarHBondContact O-N 3.03Å; F221-F238 HydrophobicContact CB-CE2 4.05Å
222F82Confident66Low30 Ų3087.7 Ų87.713%0.13243%0.428CS..EExtended strand (participates in β ladder)trans-113.1130.6178-61-85.5000110.3K187 F188 W211 I220 I233 Q234 Q235K187-F222 HydrophobicContact CB-CE2 3.64Å; K187-F222 HydrophobicContact CB-CZ 3.81Å; K187-F222 HydrophobicContact CD-CE2 4.5Å; K187-F222 HydrophobicContact CD-CZ 4.32Å; F188-F222 HydrophobicContact CB-CB 4.28Å; F188-F222 HydrophobicContact CB-CG 4.33Å; F188-F222 HydrophobicContact CD2-CB 3.59Å; F188-F222 HydrophobicContact CE2-CB 4.47Å; F188-F222 HydrophobicContact CG-CB 4.41Å; W211-F222 AromaticContact CD1-CD2 3.84Å; W211-F222 AromaticContact CD1-CE2 3.56Å; W211-F222 HydrophobicContact CG-CE2 4.45Å; W211-F222 AromaticContact NE1-CD2 3.88Å; W211-F222 AromaticContact NE1-CE2 3.7Å; I220-F222 HydrophobicContact CG2-CE1 4.36Å; I220-F222 HydrophobicContact CG2-CE2 3.93Å; I220-F222 HydrophobicContact CG2-CZ 3.83Å; F222-I233 HydrophobicContact CB-CG2 4.42Å; F222-I233 HydrophobicContact CD1-CG2 4.21Å; F222-Q234 CarbonylContact C-O 3.55Å; F222-Q234 WeakPolarHBondContact CA-O 3.38Å; F222-Q235 HydrophobicContact CD1-CB 4.06Å; F222-Q235 HydrophobicContact CD1-CG 4.02Å; F222-Q235 HydrophobicContact CE1-CB 4.04Å; F222-Q235 HydrophobicContact CE1-CG 3.68Å; F222-Q235 HydrophobicContact CZ-CG 4.3Å
223K77.7Confident65.4Low93 Ų9391.2 Ų91.240%0.40445%0.445SS..EExtended strand (participates in β ladder)trans-122.6132.8-179.9-170.7-179.2176.6-171.60109.9F221 N225 Q234F221-K223 HydrophobicContact CE1-CB 3.95Å; F221-K223 HydrophobicContact CE1-CG 4.47Å; K223-N225 WeakPolarHBondContact CE-OD1 3.38Å; K223-Q234 PolarHBondContact N-O 2.8Å; K223-Q234 PolarHBondContact O-N 3.08Å
224K73.9Confident65.1Low97 Ų9793.9 Ų93.942%0.42246%0.457SS..EExtended strand (participates in β ladder)trans-91.7112.9172.6-171.4175.3-176.9174.80108.6F188 E192F188-K224 HydrophobicContact CE1-CD 4.32Å; F188-K224 HydrophobicContact CE2-CB 4.02Å; F188-K224 HydrophobicContact CZ-CB 3.7Å; F188-K224 HydrophobicContact CZ-CD 3.9Å; F188-K224 HydrophobicContact CZ-CG 4.23Å; E192-K224 IonicContact OE1-NZ 2.98Å
225N62.3Low65.5Low41 Ų4195.1 Ų95.122%0.21946%0.46CS..EExtended strand (participates in β ladder)trans-97.4120.1167.8-72.4-9.9000108.1K223 V232 Q234K223-N225 WeakPolarHBondContact CE-OD1 3.38Å; N225-V232 PolarHBondContact N-O 3.38Å; N225-V232 PolarHBondContact O-N 3.1Å; N225-Q234 PolarHBondContact ND2-NE2 3.08Å; N225-Q234 PolarHBondContact ND2-OE1 2.81Å
226T51.8Low65.8Low110 Ų11089.6 Ų89.668%0.67544%0.435SS*.EExtended strand (participates in β ladder)trans-96.498.7169.439.50000108.4
227D42.1Very low66Low125 Ų12587.5 Ų87.567%0.66843%0.427SS*.EExtended strand (participates in β ladder)trans-89148.6159-72.1-30.7000108.2F229 Q230D227-F229 PolarHBondContact O-N 2.92Å; D227-Q230 PolarHBondContact O-N 3.46Å
228F46.5Very low66.1Low208 Ų20885.7 Ų85.791%0.91242%0.415SS*.THydrogen-bonded Turntrans-45.8-10.7-165.7-86.3-93.8000118
229F42.2Very low65.6Low204 Ų20484.8 Ų84.890%0.89541%0.413SS*.THydrogen-bonded Turntrans-126.8-15.6-178.2-68.3-81.7000115.7D227D227-F229 PolarHBondContact O-N 2.92Å
230Q35.6Very low65Low156 Ų15686.1 Ų86.173%0.72942%0.421SS*.EExtended strand (participates in β ladder)trans-157.1135.4-178-99.8170.6-0.100111.6D227 V232D227-Q230 PolarHBondContact O-N 3.46Å; Q230-V232 PolarHBondContact O-N 3.33Å
231S47.9Very low64Low78 Ų7893.6 Ų93.655%0.54545%0.45SS..EExtended strand (participates in β ladder)trans-82.4112.5168.8580000110
232V52.9Low62.5Low73 Ų7397.4 Ų97.444%0.44247%0.468SS..EExtended strand (participates in β ladder)trans-102.8126.8175.9-177.60000109.2N225 Q230N225-V232 PolarHBondContact N-O 3.38Å; N225-V232 PolarHBondContact O-N 3.1Å; Q230-V232 PolarHBondContact O-N 3.33Å
233I69Low61.2Low87 Ų8798.7 Ų98.745%0.44649%0.489SS..EExtended strand (participates in β ladder)trans-86.8112.8173.4-58.9166.9000107.6F188 F222F188-I233 HydrophobicContact CB-CD1 4.2Å; F188-I233 HydrophobicContact CB-CG2 4.02Å; F188-I233 HydrophobicContact CD1-CD1 3.51Å; F188-I233 HydrophobicContact CD1-CG1 4.01Å; F188-I233 HydrophobicContact CD2-CG2 3.84Å; F188-I233 HydrophobicContact CE1-CD1 4.13Å; F188-I233 HydrophobicContact CE1-CG1 4.27Å; F188-I233 HydrophobicContact CG-CD1 3.85Å; F188-I233 HydrophobicContact CG-CG1 4.18Å; F188-I233 HydrophobicContact CG-CG2 3.83Å; F222-I233 HydrophobicContact CB-CG2 4.42Å; F222-I233 HydrophobicContact CD1-CG2 4.21Å
234Q72.4Confident60.2Low87 Ų8798.3 Ų98.341%0.40749%0.49SS..EExtended strand (participates in β ladder)trans-94.3140.4173.8-70.3-175.4-1600110.3F222 K223 N225F222-Q234 CarbonylContact C-O 3.55Å; F222-Q234 WeakPolarHBondContact CA-O 3.38Å; K223-Q234 PolarHBondContact N-O 2.8Å; K223-Q234 PolarHBondContact O-N 3.08Å; N225-Q234 PolarHBondContact ND2-NE2 3.08Å; N225-Q234 PolarHBondContact ND2-OE1 2.81Å
235Q80.4Confident59.5Low92 Ų9294.6 Ų94.643%0.4348%0.475SS..EExtended strand (participates in β ladder)trans-110.7113.4176.3-174-168.3-89.400109.2I220 F221 F222 R237I220-Q235 HydrophobicContact CG2-CG 3.45Å; I220-Q235 VanDerWaalsContact CG2-CG 3.45Å; F221-Q235 CarbonylContact O-C 3.48Å; F221-Q235 WeakPolarHBondContact O-CA 3.49Å; F222-Q235 HydrophobicContact CD1-CB 4.06Å; F222-Q235 HydrophobicContact CD1-CG 4.02Å; F222-Q235 HydrophobicContact CE1-CB 4.04Å; F222-Q235 HydrophobicContact CE1-CG 3.68Å; F222-Q235 HydrophobicContact CZ-CG 4.3Å; Q235-R237 VanDerWaalsContact NE2-NH2 3.15Å
236E78.1Confident59.1Low66 Ų6694.5 Ų94.531%0.30848%0.477SS..EExtended strand (participates in β ladder)trans-95.4138.6174.3-66.4177.717900109.6I220 F221 F238I220-E236 WeakPolarHBondContact CA-O 3.39Å; F221-E236 HydrophobicContact CB-CB 4.48Å; F221-E236 HydrophobicContact CD1-CB 4.46Å; F221-E236 PolarHBondContact N-O 2.97Å; F221-E236 PolarHBondContact O-N 3.03Å; E236-F238 HydrophobicContact CB-CE2 3.73Å; E236-F238 HydrophobicContact CB-CZ 3.71Å; E236-F238 WeakPolarHBondContact OE2-CZ 3.25Å
237R76.1Confident59.4Low105 Ų10594.2 Ų94.240%0.39647%0.467SS..EExtended strand (participates in β ladder)trans-123.7136.1179.1-66.4-173.7174.4179.90.8110.4E218 F219 I220 Q235E218-R237 WeakPolarHBondContact OE2-CD 3.45Å; E218-R237 IonicContact OE2-NH1 3.9Å; F219-R237 CarbonylContact O-C 3.57Å; F219-R237 VanDerWaalsContact O-CA 3.25Å; F219-R237 WeakPolarHBondContact O-CA 3.46Å; I220-R237 HydrophobicContact CG1-CG 4.38Å; Q235-R237 VanDerWaalsContact NE2-NH2 3.15Å
238F74.6Confident60.2Low58 Ų5888.6 Ų88.625%0.25444%0.437SS..EExtended strand (participates in β ladder)trans-130.5139.1-178.4-51.2-83.6000110.3Y210 E218 F219 F221 E236Y210-F238 HydrophobicContact CE1-CE2 4.47Å; E218-F238 CarbonylContact C-O 3.57Å; E218-F238 VanDerWaalsContact CA-O 3.3Å; E218-F238 WeakPolarHBondContact CA-O 3.43Å; F219-F238 HydrophobicContact CB-CB 4.29Å; F219-F238 HydrophobicContact CB-CD2 4.46Å; F219-F238 PolarHBondContact N-O 3.39Å; F219-F238 PolarHBondContact O-N 3.28Å; F221-F238 HydrophobicContact CB-CE2 4.05Å; E236-F238 HydrophobicContact CB-CE2 3.73Å; E236-F238 HydrophobicContact CB-CZ 3.71Å; E236-F238 WeakPolarHBondContact OE2-CZ 3.25Å
239P67.5Low60.7Low36 Ų3680.5 Ų80.523%0.23440%0.403CS..EExtended strand (participates in β ladder)trans-64.3138.4174.5-14.526.8000111.6Y241 E242P239-Y241 HydrophobicContact CB-CD1 4.04Å; P239-Y241 HydrophobicContact CB-CD2 3.96Å; P239-Y241 HydrophobicContact CB-CE1 3.55Å; P239-Y241 HydrophobicContact CB-CE2 3.47Å; P239-Y241 VanDerWaalsContact CB-CE2 3.47Å; P239-Y241 HydrophobicContact CB-CG 4.23Å; P239-Y241 HydrophobicContact CG-CE2 4.13Å; P239-Y241 PolarHBondContact O-N 2.93Å; P239-Y241 VanDerWaalsContact O-N 3.15Å; P239-E242 PolarHBondContact O-N 3.07Å; P239-E242 VanDerWaalsContact O-N 3.16Å
240V65.6Low61.2Low27 Ų2774.6 Ų74.616%0.16439%0.387CS..THydrogen-bonded Turntrans-61.4-25.9-177.31580000113.4N217 F219 E242 S246 L249N217-V240 HydrophobicContact CB-CB 4.36Å; N217-V240 VanDerWaalsContact O-CB 3.24Å; N217-V240 WeakPolarHBondContact O-CB 3.44Å; N217-V240 WeakPolarHBondContact O-CG2 3.32Å; N217-V240 PolarHBondContact O-N 2.93Å; F219-V240 HydrophobicContact CD2-CB 4.47Å; F219-V240 HydrophobicContact CD2-CG2 3.93Å; F219-V240 HydrophobicContact CE2-CB 4.17Å; F219-V240 HydrophobicContact CE2-CG1 4.46Å; F219-V240 HydrophobicContact CE2-CG2 3.87Å; F219-V240 HydrophobicContact CG-CG2 4.34Å; F219-V240 HydrophobicContact CZ-CG2 4.24Å; V240-E242 VanDerWaalsContact C-N 3.34Å; V240-S246 VanDerWaalsContact O-CB 3.32Å; V240-S246 WeakPolarHBondContact O-CB 3.47Å; V240-L249 HydrophobicContact CB-CD1 4.3Å; V240-L249 HydrophobicContact CG1-CD1 3.28Å; V240-L249 HydrophobicContact CG2-CD1 4.31Å
241Y60.8Low62.2Low170 Ų17071.3 Ų71.367%0.66738%0.375SS*.THydrogen-bonded Turntrans-80.9-8.4-178.943.7-93000114.3P239P239-Y241 HydrophobicContact CB-CD1 4.04Å; P239-Y241 HydrophobicContact CB-CD2 3.96Å; P239-Y241 HydrophobicContact CB-CE1 3.55Å; P239-Y241 HydrophobicContact CB-CE2 3.47Å; P239-Y241 VanDerWaalsContact CB-CE2 3.47Å; P239-Y241 HydrophobicContact CB-CG 4.23Å; P239-Y241 HydrophobicContact CG-CE2 4.13Å; P239-Y241 PolarHBondContact O-N 2.93Å; P239-Y241 VanDerWaalsContact O-N 3.15Å
242E53.1Low62.5Low103 Ų10372.1 Ų72.148%0.48137%0.372SS..SBendtrans-100.6138.4-178.5-71.5-168.2155.700113.6P239 V240P239-E242 PolarHBondContact O-N 3.07Å; P239-E242 VanDerWaalsContact O-N 3.16Å; V240-E242 VanDerWaalsContact C-N 3.34Å
243G55.5Low62.4Low56 Ų5675.8 Ų75.858%0.57739%0.385SS*.SBendtrans79.2-168.9166.700000116.4L245 S246G243-L245 PolarHBondContact O-N 2.83Å; G243-S246 WeakPolarHBondContact O-CB 3.49Å; G243-S246 PolarHBondContact O-N 3.12Å
244M56.2Low61.5Low86 Ų8674.5 Ų74.542%0.42438%0.378SS..Hα-helixtrans-67.5-22-175.3-68.9-143.7-70.500113.8S246 K247 V248 W305M244-S246 VanDerWaalsContact C-N 3.32Å; M244-S246 PolarHBondContact O-N 2.81Å; M244-K247 PolarHBondContact O-N 2.87Å; M244-V248 PolarHBondContact O-N 2.82Å; M244-W305 HydrophobicContact CB-CZ2 4.47Å; M244-W305 HydrophobicContact CE-CZ2 4.05Å
245L59.2Low60.4Low19 Ų1971.3 Ų71.310%0.09937%0.368CS..Hα-helixtrans-64.7-35.6177.4-70.9166.6000112.1Y210 F219 G243 K247 V248 L249 W305 I317Y210-L245 HydrophobicContact CD1-CD1 4.06Å; Y210-L245 HydrophobicContact CD2-CD2 4.05Å; Y210-L245 HydrophobicContact CE1-CD1 4.24Å; Y210-L245 HydrophobicContact CE2-CD2 4.48Å; Y210-L245 HydrophobicContact CG-CD1 4.36Å; Y210-L245 HydrophobicContact CG-CD2 4.13Å; F219-L245 HydrophobicContact CB-CD1 4.42Å; F219-L245 HydrophobicContact CD1-CD1 4.49Å; F219-L245 HydrophobicContact CD2-CB 3.99Å; F219-L245 HydrophobicContact CD2-CD1 3.8Å; F219-L245 HydrophobicContact CD2-CG 4.49Å; F219-L245 HydrophobicContact CE1-CB 4.29Å; F219-L245 HydrophobicContact CE2-CB 3.33Å; F219-L245 HydrophobicContact CE2-CD1 4.04Å; F219-L245 HydrophobicContact CE2-CG 4.25Å; F219-L245 HydrophobicContact CG-CD1 4Å; F219-L245 HydrophobicContact CZ-CB 3.47Å; F219-L245 VanDerWaalsContact CZ-CB 3.47Å; F219-L245 HydrophobicContact CZ-CD1 4.45Å; F219-L245 HydrophobicContact CZ-CD2 4.49Å; F219-L245 HydrophobicContact CZ-CG 4.36Å; G243-L245 PolarHBondContact O-N 2.83Å; L245-K247 VanDerWaalsContact C-N 3.32Å; L245-K247 PolarHBondContact O-N 2.93Å; L245-V248 PolarHBondContact O-N 3.48Å; L245-L249 PolarHBondContact O-N 3.31Å; L245-W305 HydrophobicContact CD2-CE3 4.04Å; L245-W305 HydrophobicContact CD2-CH2 4.18Å; L245-W305 HydrophobicContact CD2-CZ3 3.41Å; L245-W305 VanDerWaalsContact CD2-CZ3 3.41Å; L245-W305 HydrophobicContact CG-CZ3 4.2Å; L245-I317 HydrophobicContact CD2-CB 4.35Å; L245-I317 HydrophobicContact CD2-CD1 4.15Å; L245-I317 HydrophobicContact CD2-CG2 4.12Å
246S54.1Low58.6Low39 Ų3969.7 Ų69.727%0.27336%0.362SS..Hα-helixtrans-58.8-40174.1-179.90000112.6V240 G243 M244 V248 L249 S250V240-S246 VanDerWaalsContact O-CB 3.32Å; V240-S246 WeakPolarHBondContact O-CB 3.47Å; G243-S246 WeakPolarHBondContact O-CB 3.49Å; G243-S246 PolarHBondContact O-N 3.12Å; M244-S246 VanDerWaalsContact C-N 3.32Å; M244-S246 PolarHBondContact O-N 2.81Å; S246-V248 VanDerWaalsContact C-N 3.35Å; S246-V248 PolarHBondContact O-N 2.82Å; S246-L249 WeakPolarHBondContact O-CB 3.47Å; S246-L249 PolarHBondContact O-N 3.35Å; S246-S250 PolarHBondContact O-N 2.79Å; S246-S250 PolarHBondContact O-OG 3.01Å
247K58.1Low56.6Low103 Ų10369.3 Ų69.345%0.44837%0.365SS..Hα-helixtrans-69.6-30.3177.7-70.3-176.8-179.7177.30113.4M244 L245 S250 N251 V257M244-K247 PolarHBondContact O-N 2.87Å; L245-K247 VanDerWaalsContact C-N 3.32Å; L245-K247 PolarHBondContact O-N 2.93Å; K247-S250 WeakPolarHBondContact CA-OG 3.28Å; K247-S250 PolarHBondContact O-OG 2.85Å; K247-S250 VanDerWaalsContact O-OG 3.05Å; K247-N251 WeakPolarHBondContact O-CB 3.4Å; K247-N251 PolarHBondContact O-N 3.42Å; K247-N251 PolarHBondContact O-ND2 3.28Å; K247-V257 HydrophobicContact CD-CG1 4.33Å
248V57.7Low54.5Low7 Ų768.7 Ų68.74%0.04237%0.372CS..Hα-helixtrans-75.7-39.3176.9178.90000110M244 L245 S246 L252 W305 I317M244-V248 PolarHBondContact O-N 2.82Å; L245-V248 PolarHBondContact O-N 3.48Å; S246-V248 VanDerWaalsContact C-N 3.35Å; S246-V248 PolarHBondContact O-N 2.82Å; V248-L252 PolarHBondContact O-N 3.44Å; V248-W305 HydrophobicContact CG1-CB 4.21Å; V248-W305 HydrophobicContact CG2-CB 3.76Å; V248-W305 HydrophobicContact CG2-CD2 4.23Å; V248-W305 HydrophobicContact CG2-CG 3.89Å; V248-I317 HydrophobicContact CB-CD1 4.36Å; V248-I317 HydrophobicContact CG1-CD1 4.21Å; V248-I317 HydrophobicContact CG1-CG2 4.11Å
249L56.9Low52.4Low39 Ų3971.2 Ų71.220%0.20439%0.393CS..Hα-helixtrans-57.5-44.8170.5-92.5163.8000112.6F219 V240 L245 S246 I314 I317F219-L249 HydrophobicContact CE1-CD1 3.9Å; F219-L249 HydrophobicContact CE1-CG 4.37Å; F219-L249 HydrophobicContact CE2-CD1 3.82Å; F219-L249 HydrophobicContact CZ-CD1 3.12Å; F219-L249 HydrophobicContact CZ-CG 3.87Å; V240-L249 HydrophobicContact CB-CD1 4.3Å; V240-L249 HydrophobicContact CG1-CD1 3.28Å; V240-L249 HydrophobicContact CG2-CD1 4.31Å; L245-L249 PolarHBondContact O-N 3.31Å; S246-L249 WeakPolarHBondContact O-CB 3.47Å; S246-L249 PolarHBondContact O-N 3.35Å; L249-I314 HydrophobicContact CB-CD1 4.49Å; L249-I314 HydrophobicContact CD2-CB 4.19Å; L249-I314 HydrophobicContact CD2-CD1 3.68Å; L249-I314 HydrophobicContact CD2-CG1 4.48Å; L249-I314 HydrophobicContact CD2-CG2 4.47Å; L249-I314 HydrophobicContact CG-CD1 4.28Å; L249-I317 HydrophobicContact CG-CD1 4.21Å
250S53.5Low50.5Low79 Ų7980.7 Ų80.755%0.55242%0.424SS*.Hα-helixtrans-73-33.2-175.563.90000113.7S246 K247S246-S250 PolarHBondContact O-N 2.79Å; S246-S250 PolarHBondContact O-OG 3.01Å; K247-S250 WeakPolarHBondContact CA-OG 3.28Å; K247-S250 PolarHBondContact O-OG 2.85Å; K247-S250 VanDerWaalsContact O-OG 3.05Å
251N55.8Low48.7Very low88 Ų8891 Ų9147%0.47146%0.46SS..Hα-helixtrans-97.9-15.8-166.7-62.7-1.6000113.6K247 Q253K247-N251 WeakPolarHBondContact O-CB 3.4Å; K247-N251 PolarHBondContact O-N 3.42Å; K247-N251 PolarHBondContact O-ND2 3.28Å; N251-Q253 WeakPolarHBondContact O-CG 3.03Å; N251-Q253 PolarHBondContact O-N 3.07Å
252L55.6Low47.1Very low94 Ų9488.4 Ų88.449%0.49247%0.467SS..  trans51.210.3-179.3-71.7164.3000115.7V248 L309 I314V248-L252 PolarHBondContact O-N 3.44Å; L252-L309 HydrophobicContact CD2-CD2 3.81Å; L252-I314 HydrophobicContact CD2-CD1 3.73Å; L252-I314 HydrophobicContact CD2-CG1 4Å
253Q49.9Very low45.9Very low151 Ų15190.4 Ų90.471%0.70649%0.486SS*.SBendtrans-107.8141.8-174.8-76.2-173.6-2.200111.1N251 G255N251-Q253 WeakPolarHBondContact O-CG 3.03Å; N251-Q253 PolarHBondContact O-N 3.07Å; Q253-G255 VanDerWaalsContact C-N 3.29Å; Q253-G255 PolarHBondContact O-N 3.3Å
254I51.5Low44.5Very low60 Ų6091.5 Ų91.531%0.30850%0.497SS..  trans-68.491.8165.9-56.7173.6000106.8L304 L306 K338I254-L304 HydrophobicContact CG2-CD1 3.85Å; I254-L306 HydrophobicContact CD1-CD1 3.67Å; I254-L306 HydrophobicContact CG1-CD1 3.93Å; I254-K338 HydrophobicContact CD1-CD 4.32Å; I254-K338 HydrophobicContact CD1-CG 3.77Å
255G47.4Very low43.1Very low19 Ų1990.9 Ų90.920%0.19651%0.513CS..  trans-120.4129.3-174.200000112.3Q253 V257Q253-G255 VanDerWaalsContact C-N 3.29Å; Q253-G255 PolarHBondContact O-N 3.3Å; G255-V257 VanDerWaalsContact C-N 3.26Å; G255-V257 PolarHBondContact O-N 3.1Å
256N42.9Very low41.6Very low59 Ų5997 Ų9732%0.31655%0.546SS..  trans-6694.6149.7-84.118.6000105.5T258 R334N256-T258 VanDerWaalsContact C-N 3.35Å; N256-T258 PolarHBondContact O-N 3.43Å; N256-R334 PolarHBondContact ND2-NH2 3.48Å; N256-R334 VanDerWaalsContact ND2-NH2 3.17Å; N256-R334 PolarHBondContact OD1-NH1 3.26Å; N256-R334 PolarHBondContact OD1-NH2 2.99Å
257V36.9Very low40.4Very low58 Ų58101.4 Ų101.435%0.35257%0.566SS.*  trans-76.891-175.8-176.80000109.1K247 G255K247-V257 HydrophobicContact CD-CG1 4.33Å; G255-V257 VanDerWaalsContact C-N 3.26Å; G255-V257 PolarHBondContact O-N 3.1Å
258T32.9Very low38.9Very low91 Ų91105.1 Ų105.156%0.55858%0.583SS**  trans-69.2128.1167.752.40000109.5N256 R260N256-T258 VanDerWaalsContact C-N 3.35Å; N256-T258 PolarHBondContact O-N 3.43Å; T258-R260 PolarHBondContact O-N 3.36Å
259T29.4Very low37.5Very low111 Ų111112 Ų11268%0.68162%0.616SS**  trans-65.197.8168.239.20000110.5
260R27.4Very low36.2Very low235 Ų235115.4 Ų115.489%0.88764%0.639SS**  trans-81.4111.2161.9-86.9-174.1174.2-177.2-1.4108.8T258T258-R260 PolarHBondContact O-N 3.36Å
261R27.4Very low35Very low243 Ų243115.9 Ų115.992%0.91765%0.647SS**  trans-76114.5159.4-89.8-177.7172.3173.3-1.9107.7T263R261-T263 PolarHBondContact O-N 3.39Å
262S28.7Very low33.7Very low117 Ų117118.7 Ų118.782%0.81867%0.668SS**  trans-72.3117.8166.256.90000109
263T27.4Very low32.5Very low145 Ų145117.6 Ų117.689%0.8968%0.679SS**  trans-66.4123.7162.343.90000109.6R261R261-T263 PolarHBondContact O-N 3.39Å
264G26.7Very low31.4Very low78 Ų78114.6 Ų114.680%0.80468%0.68SS**  trans147.9117.4161.300000114.7
265G26.6Very low30.3Very low73 Ų73122.5 Ų122.575%0.75371%0.706SS**  trans102.888.4151.800000116.8
266N26.5Very low29.3Very low149 Ų149131.2 Ų131.280%0.79773%0.733SS**  trans18.9118.2134.4-64.2-1.5000118.5
267D29.4Very low28.5Very low131 Ų131134.5 Ų134.570%0.70175%0.75SS**  167.2126.9106.5-85.3-26000112.2
268F27.4Very low28Very low181 Ų181138.7 Ų138.779%0.79477%0.771SS**  trans37138.1139.9-66.5-83.8000120.1
269M27.3Very low27.7Very low150 Ų150142.5 Ų142.574%0.73978%0.782SS**  cis-178.4159.52.1-158-175.5166.400106.5
270T29Very low27.5Very low111 Ų111144 Ų14468%0.68179%0.786SS**  trans78.9101.9149.129.30000122.7
271A29.3Very low27.3Very low89 Ų89139.8 Ų139.874%0.73678%0.781SS**  68.9145.6107.800000120.2
272V28.8Very low27.2Very low148 Ų148134.6 Ų134.690%0.89777%0.772SS**  cis-178.1150.41.2139.60000105.2
273G29.2Very low27Very low71 Ų71134.3 Ų134.373%0.73277%0.765SS**  trans149.582.3152.200000120.9
274A28.4Very low26.9Very low87 Ų87134.3 Ų134.372%0.71975%0.752SS**  trans33121.5138.600000123.5
275R26.6Very low26.8Very low226 Ų226140.2 Ų140.285%0.85376%0.756SS**  75.7144102-68.8-175.5-175.3-173.52.9115.4
276R26.9Very low26.8Very low202 Ų202145.6 Ų145.676%0.76276%0.762SS**  cis-172.1152-8.6-120.8-175.6-177.8173.3-1.6106.2
277N26.5Very low26.7Very low128 Ų128143 Ų14368%0.68476%0.756SS**  trans62.6116.7154.6-61.87.8000119
278D26.8Very low26.4Very low147 Ų147143 Ų14379%0.78676%0.76SS**  -174.7169.590.3-97.5-29.7000111.7
279Q25.4Very low26.3Very low170 Ų170138.4 Ų138.479%0.79476%0.755SS**  trans-61.5150.4-163-63.6159.36.500116.2
280N25.3Very low26.3Very low142 Ų142137.7 Ų137.776%0.75976%0.759SS**  trans81.1139.5168.5-60.5-22.8000117.2
281D23.8Very low26.1Very low148 Ų148135.2 Ų135.279%0.79176%0.756SS**  trans69.7128179.5-47.6-34.2000111.9
282D24.4Very low25.9Very low134 Ų134136.3 Ų136.372%0.71776%0.758SS**  162.214572-108.4-30.4000104.3
283V26.1Very low25.7Very low110 Ų110138.3 Ų138.367%0.66776%0.757SS**  49.4116.198.7-170.60000112.4
284F24.7Very low25.6Very low145 Ų145141.2 Ų141.264%0.63676%0.761SS**SBendtrans81.5132.5175.8-70.9-88.9000120H286F284-H286 PolarHBondContact O-N 2.98Å
285F25.3Very low25.4Very low202 Ų202142.3 Ų142.389%0.88677%0.77SS**  trans-29.5117.3167.6-81.8-102.2000114.9
286H24.8Very low25.2Very low186 Ų186140.3 Ų140.386%0.86177%0.768SS**  trans-91.7125.1161.1-101.8-50.9000111.6F284F284-H286 PolarHBondContact O-N 2.98Å
287S25.7Very low25.1Very low96 Ų96139.1 Ų139.167%0.67178%0.775SS**  trans-70.3158.6156.960.70000110.8
288V23.8Very low25Very low130 Ų130138.4 Ų138.479%0.78878%0.775SS**  trans141.9119138.5171.80000112.1
289A24.1Very low25.1Very low84 Ų84138.7 Ų138.769%0.69478%0.777SS**  trans51.5139.314900000120.3
290V26.5Very low25.7Very low135 Ų135135 Ų13582%0.81877%0.769SS**  -169.9140.1102.8152.50000107.9
291G25.1Very low27Very low60 Ų60134.2 Ų134.262%0.61976%0.761SS**  trans-69.6-164.4173.300000112.9
292S25.9Very low28.9Very low111 Ų111129.1 Ų129.178%0.77673%0.734SS**  trans69.291.1-177.171.60000115.4T294S292-T294 PolarHBondContact O-N 3.45Å
293E24.8Very low31Very low190 Ų190128.6 Ų128.689%0.88872%0.722SS**  11.6106.7127-65.8178158.700115.9
294T26.2Very low33.2Very low133 Ų133123.6 Ų123.682%0.81669%0.691SS**  -173.9121124.427.10000107.5S292 K296S292-T294 PolarHBondContact O-N 3.45Å; T294-K296 PolarHBondContact O-N 3.17Å
295A23.9Very low35.6Very low110 Ų110117.6 Ų117.691%0.90966%0.664SS**  trans-55.7106.9179.700000111.4
296K23.9Very low38.1Very low183 Ų183108 Ų10880%0.79662%0.622SS**  trans-141.9129163.4-85.6-175.8178.6173.30109.5T294 T298T294-K296 PolarHBondContact O-N 3.17Å; K296-T298 PolarHBondContact O-N 2.7Å
297I24.6Very low40.7Very low178 Ų17899.2 Ų99.291%0.91358%0.582SS**  trans-53.8115.4176.8-61.4155.4000109.5
298T23.5Very low43.4Very low112 Ų11294.7 Ų94.769%0.68755%0.55SS**  trans-143.4129.4172.754.30000112.9K296K296-T298 PolarHBondContact O-N 2.7Å
299D29.3Very low46Very low154 Ų15491.2 Ų91.282%0.82453%0.527SS*.  trans71.599.2145.6-60.3-24.3000121.9
300S38.8Very low48.3Very low92 Ų9292 Ų9264%0.64351%0.514SS*.  trans-179.818.5143.945.30000119
301E51.7Low50.5Low126 Ų12689 Ų8959%0.58951%0.512SS*.  trans-91.96.1-165.6-65-165.1144.200119.5
302N64.2Low52.7Low40 Ų4090.9 Ų90.921%0.21452%0.521CS..SBendtrans-106.919.1-165.8-73.40.5000117.5T321 K322N302-T321 WeakPolarHBondContact O-CA 3.12Å; N302-K322 HydrophobicContact CB-CB 4.44Å; N302-K322 PolarHBondContact O-N 2.84Å
303R69Low54.9Low124 Ų12490.1 Ų90.147%0.46851%0.506SS..EExtended strand (participates in β ladder)trans-130.5131.7-178.6-67.2179.8-177.9169.42.8112.7I320 T321R303-I320 CarbonylContact C-O 3.58Å; R303-I320 WeakPolarHBondContact CA-O 3.37Å; R303-T321 HydrophobicContact CG-CG2 3.87Å
304L72.5Confident57.4Low4 Ų481.6 Ų81.62%0.02147%0.466CS..EExtended strand (participates in β ladder)trans-110.9132.2173.4-175.270.4000109.4I254 I320 F329 V337I254-L304 HydrophobicContact CG2-CD1 3.85Å; L304-I320 HydrophobicContact CB-CB 4.31Å; L304-I320 HydrophobicContact CD2-CD1 4.32Å; L304-I320 PolarHBondContact N-O 2.77Å; L304-I320 PolarHBondContact O-N 3.23Å; L304-F329 HydrophobicContact CB-CD2 4.16Å; L304-F329 HydrophobicContact CB-CE1 4.32Å; L304-F329 HydrophobicContact CB-CE2 3.62Å; L304-F329 HydrophobicContact CB-CZ 3.71Å; L304-V337 HydrophobicContact CD2-CG1 4.45Å
305W74.3Confident60Low19 Ų1975.6 Ų75.67%0.07243%0.428CS..EExtended strand (participates in β ladder)trans-114.8129.9176-59.387.8000109.4Y210 M244 L245 V248 I317 L318 Q319Y210-W305 HydrophobicContact CD2-CZ3 4.45Å; Y210-W305 HydrophobicContact CE2-CZ3 4.17Å; M244-W305 HydrophobicContact CB-CZ2 4.47Å; M244-W305 HydrophobicContact CE-CZ2 4.05Å; L245-W305 HydrophobicContact CD2-CE3 4.04Å; L245-W305 HydrophobicContact CD2-CH2 4.18Å; L245-W305 HydrophobicContact CD2-CZ3 3.41Å; L245-W305 VanDerWaalsContact CD2-CZ3 3.41Å; L245-W305 HydrophobicContact CG-CZ3 4.2Å; V248-W305 HydrophobicContact CG1-CB 4.21Å; V248-W305 HydrophobicContact CG2-CB 3.76Å; V248-W305 HydrophobicContact CG2-CD2 4.23Å; V248-W305 HydrophobicContact CG2-CG 3.89Å; W305-I317 HydrophobicContact CE3-CG2 3.88Å; W305-L318 CarbonylContact C-O 3.52Å; W305-L318 WeakPolarHBondContact CA-O 3.27Å; W305-Q319 HydrophobicContact CD2-CB 4.37Å; W305-Q319 HydrophobicContact CD2-CG 4.12Å; W305-Q319 HydrophobicContact CE3-CB 3.74Å; W305-Q319 HydrophobicContact CE3-CG 3.91Å; W305-Q319 HydrophobicContact CH2-CB 4.06Å; W305-Q319 HydrophobicContact CH2-CG 3.64Å; W305-Q319 HydrophobicContact CZ2-CG 3.83Å; W305-Q319 HydrophobicContact CZ3-CB 3.56Å; W305-Q319 HydrophobicContact CZ3-CG 3.66Å
306L78.4Confident62.8Low1 Ų170.3 Ų70.31%0.00539%0.385CS..EExtended strand (participates in β ladder)trans-126.1111.6-178.2-175.884.5000109.8I254 L318 V337 Q341I254-L306 HydrophobicContact CD1-CD1 3.67Å; I254-L306 HydrophobicContact CG1-CD1 3.93Å; L306-L318 HydrophobicContact CB-CB 4.2Å; L306-L318 HydrophobicContact CB-CD2 4.31Å; L306-L318 HydrophobicContact CD2-CD2 3.94Å; L306-L318 PolarHBondContact N-O 2.8Å; L306-L318 PolarHBondContact O-N 3.18Å; L306-V337 HydrophobicContact CD1-CG1 3.96Å; L306-V337 HydrophobicContact CD2-CG1 3.67Å; L306-V337 HydrophobicContact CG-CG1 4.27Å; L306-Q341 HydrophobicContact CD1-CG 4.31Å; L306-Q341 HydrophobicContact CD2-CB 4.22Å; L306-Q341 HydrophobicContact CD2-CG 4.1Å; L306-Q341 HydrophobicContact CG-CG 4.31Å
307P79.4Confident65.7Low2 Ų261.6 Ų61.61%0.01335%0.347CS..EExtended strand (participates in β ladder)trans-74.8135.6172.429.8-32.1000110.7I314 Q341P307-I314 HydrophobicContact CB-CD1 4.41Å; P307-I314 HydrophobicContact CB-CG1 4.4Å; P307-Q341 PolarHBondContact O-NE2 2.96Å
308I81.5Confident68.6Low0 Ų053.1 Ų53.10%030%0.304CS..EExtended strand (participates in β ladder)trans-105.2120.7174-56.6174.6000107.9L209 M315 A316 L344 A345 L348L209-I308 HydrophobicContact CD1-CD1 3.92Å; I308-M315 PolarHBondContact O-N 3.48Å; I308-A316 HydrophobicContact CB-CB 4.35Å; I308-A316 HydrophobicContact CD1-CB 4.29Å; I308-A316 PolarHBondContact N-O 3.19Å; I308-A316 PolarHBondContact O-N 3.42Å; I308-L344 HydrophobicContact CD1-CB 4.17Å; I308-A345 VanDerWaalsContact CG2-CA 3.44Å; I308-A345 HydrophobicContact CG2-CB 3.67Å; I308-L348 HydrophobicContact CB-CD1 4.41Å; I308-L348 HydrophobicContact CD1-CD1 3.67Å; I308-L348 HydrophobicContact CG2-CD1 4Å
309L78.2Confident71.5Confident58 Ų5848.2 Ų48.230%0.30427%0.273SS..EExtended strand (participates in β ladder)trans-109.6141.7-167.8-61.6168.2000112.1L252 Q313 I314L252-L309 HydrophobicContact CD2-CD2 3.81Å; L309-Q313 CarbonylContact C-O 3.57Å; L309-Q313 WeakPolarHBondContact CA-O 3.47Å; L309-I314 HydrophobicContact CD2-CB 4.35Å; L309-I314 HydrophobicContact CD2-CG1 3.42Å; L309-I314 VanDerWaalsContact CD2-CG1 3.42Å
310K73.3Confident74Confident99 Ų9940.9 Ų40.943%0.4323%0.234SC..EExtended strand (participates in β ladder)trans-108.895.2161.9-177.9-179.7-179.3173.40108.1A312 Q313 M315 L349K310-A312 PolarHBondContact O-N 3.42Å; K310-A312 VanDerWaalsContact O-N 3.11Å; K310-Q313 PolarHBondContact N-O 3.44Å; K310-Q313 PolarHBondContact O-N 3.03Å; K310-Q313 VanDerWaalsContact O-N 3.08Å; K310-M315 HydrophobicContact CB-CG 3.5Å; K310-M315 HydrophobicContact CB-SD 3.6Å; K310-M315 VanDerWaalsContact CB-SD 3.6Å; K310-M315 HydrophobicContact CD-SD 4.43Å; K310-M315 HydrophobicContact CG-SD 4.4Å; K310-L349 HydrophobicContact CD-CD1 3.62Å; K310-L349 HydrophobicContact CG-CD1 4.08Å
311G72.7Confident75.7Confident74 Ų7437.4 Ų37.476%0.76321%0.209SC*.THydrogen-bonded Turntrans60.8-115.1-169.300000110.3
312A69.8Low76.7Confident99 Ų9932.6 Ų32.682%0.81819%0.186SC*.THydrogen-bonded Turntrans-92.8-7.7178.200000114.4K310K310-A312 PolarHBondContact O-N 3.42Å; K310-A312 VanDerWaalsContact O-N 3.11Å
313Q72.8Confident76.6Confident95 Ų9533.1 Ų33.144%0.44419%0.193SC..EExtended strand (participates in β ladder)trans-98.7135.8-173.9-170.6175.119.600111.4N214 L309 K310 M315N214-Q313 PolarHBondContact ND2-NE2 2.96Å; L309-Q313 CarbonylContact C-O 3.57Å; L309-Q313 WeakPolarHBondContact CA-O 3.47Å; K310-Q313 PolarHBondContact N-O 3.44Å; K310-Q313 PolarHBondContact O-N 3.03Å; K310-Q313 VanDerWaalsContact O-N 3.08Å; Q313-M315 PolarHBondContact O-N 3.02Å
314I76.7Confident76Confident10 Ų1038 Ų385%0.05121%0.211CC..EExtended strand (participates in β ladder)trans-77.2123.6173.9-64.9166.2000109.2V212 N214 L249 L252 P307 L309 I317V212-I314 HydrophobicContact CG2-CG2 3.87Å; N214-I314 PolarHBondContact ND2-O 2.97Å; L249-I314 HydrophobicContact CB-CD1 4.49Å; L249-I314 HydrophobicContact CD2-CB 4.19Å; L249-I314 HydrophobicContact CD2-CD1 3.68Å; L249-I314 HydrophobicContact CD2-CG1 4.48Å; L249-I314 HydrophobicContact CD2-CG2 4.47Å; L249-I314 HydrophobicContact CG-CD1 4.28Å; L252-I314 HydrophobicContact CD2-CD1 3.73Å; L252-I314 HydrophobicContact CD2-CG1 4Å; P307-I314 HydrophobicContact CB-CD1 4.41Å; P307-I314 HydrophobicContact CB-CG1 4.4Å; L309-I314 HydrophobicContact CD2-CB 4.35Å; L309-I314 HydrophobicContact CD2-CG1 3.42Å; L309-I314 VanDerWaalsContact CD2-CG1 3.42Å; I314-I317 HydrophobicContact CG2-CG1 3.97Å
315M80.8Confident75Confident7 Ų746.9 Ų46.93%0.03425%0.249CC..EExtended strand (participates in β ladder)trans-90.3-41.7175.2-64.5-17874.400112V212 I308 K310 Q313 L348 L349 Q352V212-M315 PolarHBondContact N-O 3.5Å; I308-M315 PolarHBondContact O-N 3.48Å; K310-M315 HydrophobicContact CB-CG 3.5Å; K310-M315 HydrophobicContact CB-SD 3.6Å; K310-M315 VanDerWaalsContact CB-SD 3.6Å; K310-M315 HydrophobicContact CD-SD 4.43Å; K310-M315 HydrophobicContact CG-SD 4.4Å; Q313-M315 PolarHBondContact O-N 3.02Å; M315-L348 HydrophobicContact CE-CB 4.04Å; M315-L349 HydrophobicContact CE-CB 4.15Å; M315-L349 HydrophobicContact CE-CD1 4.36Å; M315-L349 HydrophobicContact SD-CB 4.4Å; M315-Q352 HydrophobicContact CE-CG 4.21Å
316A84Confident74.1Confident0 Ų049.1 Ų49.10%027%0.265CS..EExtended strand (participates in β ladder)trans-155.8158.9-174.800000110.6L209 Y210 I308 L348L209-A316 HydrophobicContact CD1-CB 4.04Å; L209-A316 HydrophobicContact CG-CB 4.44Å; Y210-A316 CarbonylContact O-C 3.32Å; Y210-A316 WeakPolarHBondContact O-CA 3.45Å; Y210-A316 WeakPolarHBondContact O-CB 3.47Å; I308-A316 HydrophobicContact CB-CB 4.35Å; I308-A316 HydrophobicContact CD1-CB 4.29Å; I308-A316 PolarHBondContact N-O 3.19Å; I308-A316 PolarHBondContact O-N 3.42Å; A316-L348 HydrophobicContact CB-CD1 3.73Å
317I84.4Confident72.8Confident0 Ų055.1 Ų55.10%030%0.297CS..EExtended strand (participates in β ladder)trans-124.7124.9175.1-56.9-178.2000108.3Y210 F219 L245 V248 L249 W305 I314Y210-I317 PolarHBondContact N-O 3.34Å; Y210-I317 PolarHBondContact O-N 3.46Å; F219-I317 HydrophobicContact CE1-CD1 3.55Å; F219-I317 HydrophobicContact CE1-CG1 4.28Å; F219-I317 HydrophobicContact CZ-CD1 3.87Å; L245-I317 HydrophobicContact CD2-CB 4.35Å; L245-I317 HydrophobicContact CD2-CD1 4.15Å; L245-I317 HydrophobicContact CD2-CG2 4.12Å; V248-I317 HydrophobicContact CB-CD1 4.36Å; V248-I317 HydrophobicContact CG1-CD1 4.21Å; V248-I317 HydrophobicContact CG1-CG2 4.11Å; L249-I317 HydrophobicContact CG-CD1 4.21Å; W305-I317 HydrophobicContact CE3-CG2 3.88Å; I314-I317 HydrophobicContact CG2-CG1 3.97Å
318L84.8Confident71.8Confident0 Ų058.3 Ų58.30%032%0.319CS..EExtended strand (participates in β ladder)trans-98.4128.7176.2179.382.5000109.9V194 I198 R208 L209 W305 L306 I320V194-L318 HydrophobicContact CG1-CD1 4.46Å; I198-L318 HydrophobicContact CD1-CD1 3.46Å; I198-L318 VanDerWaalsContact CD1-CD1 3.46Å; I198-L318 HydrophobicContact CD1-CD2 3.29Å; I198-L318 HydrophobicContact CD1-CG 3.95Å; I198-L318 HydrophobicContact CG1-CD2 4.31Å; R208-L318 CarbonylContact O-C 3.55Å; R208-L318 WeakPolarHBondContact O-CA 3.4Å; L209-L318 HydrophobicContact CD1-CB 4.2Å; L209-L318 HydrophobicContact CD1-CD1 4.01Å; W305-L318 CarbonylContact C-O 3.52Å; W305-L318 WeakPolarHBondContact CA-O 3.27Å; L306-L318 HydrophobicContact CB-CB 4.2Å; L306-L318 HydrophobicContact CB-CD2 4.31Å; L306-L318 HydrophobicContact CD2-CD2 3.94Å; L306-L318 PolarHBondContact N-O 2.8Å; L306-L318 PolarHBondContact O-N 3.18Å; L318-I320 HydrophobicContact CD2-CD1 3.96Å; L318-I320 HydrophobicContact CD2-CG1 4.05Å; L318-I320 HydrophobicContact CG-CG1 4.24Å
319Q84.4Confident70.9Confident9 Ų958.7 Ų58.74%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-110.4123175.1-175.9-169.3-19.700109.8C207 R208 Y210 W305 T321C207-Q319 CarbonylContact C-O 3.53Å; C207-Q319 VanDerWaalsContact CA-O 3.31Å; C207-Q319 WeakPolarHBondContact CA-O 3.12Å; R208-Q319 HydrophobicContact CB-CB 4.39Å; R208-Q319 PolarHBondContact N-O 3.09Å; R208-Q319 PolarHBondContact O-N 3.22Å; Y210-Q319 HydrophobicContact CE2-CB 4.06Å; Y210-Q319 PolarHBondContact OH-OE1 3.09Å; W305-Q319 HydrophobicContact CD2-CB 4.37Å; W305-Q319 HydrophobicContact CD2-CG 4.12Å; W305-Q319 HydrophobicContact CE3-CB 3.74Å; W305-Q319 HydrophobicContact CE3-CG 3.91Å; W305-Q319 HydrophobicContact CH2-CB 4.06Å; W305-Q319 HydrophobicContact CH2-CG 3.64Å; W305-Q319 HydrophobicContact CZ2-CG 3.83Å; W305-Q319 HydrophobicContact CZ3-CB 3.56Å; W305-Q319 HydrophobicContact CZ3-CG 3.66Å; Q319-T321 PolarHBondContact NE2-OG1 2.8Å
320I81.4Confident70.1Confident0 Ų058.6 Ų58.60%033%0.325CS..EExtended strand (participates in β ladder)trans-114.8123.3175.1-52.7175.7000108.4I198 V202 C204 R303 L304 L318 F329 V337I198-I320 HydrophobicContact CG2-CD1 3.61Å; I198-I320 HydrophobicContact CG2-CG1 4.16Å; V202-I320 HydrophobicContact CG1-CG2 4.17Å; C204-I320 HydrophobicContact CB-CG2 3.44Å; C204-I320 VanDerWaalsContact CB-CG2 3.44Å; R303-I320 CarbonylContact C-O 3.58Å; R303-I320 WeakPolarHBondContact CA-O 3.37Å; L304-I320 HydrophobicContact CB-CB 4.31Å; L304-I320 HydrophobicContact CD2-CD1 4.32Å; L304-I320 PolarHBondContact N-O 2.77Å; L304-I320 PolarHBondContact O-N 3.23Å; L318-I320 HydrophobicContact CD2-CD1 3.96Å; L318-I320 HydrophobicContact CD2-CG1 4.05Å; L318-I320 HydrophobicContact CG-CG1 4.24Å; I320-F329 HydrophobicContact CB-CE1 4.47Å; I320-F329 HydrophobicContact CB-CZ 4.39Å; I320-F329 HydrophobicContact CG2-CE1 3.8Å; I320-F329 HydrophobicContact CG2-CZ 4.06Å; I320-V337 HydrophobicContact CD1-CG1 4.33Å; I320-V337 HydrophobicContact CD1-CG2 3.95Å
321T75.8Confident69.6Low19 Ų1957.8 Ų57.812%0.11733%0.326CS..EExtended strand (participates in β ladder)trans-114.4124.7-179-52.30000110.1C204 E205 D206 N302 R303 Q319C204-T321 CarbonylContact C-O 3.41Å; C204-T321 WeakPolarHBondContact CA-O 3.48Å; C204-T321 WeakPolarHBondContact CB-O 3.5Å; E205-T321 PolarHBondContact N-O 3.03Å; D206-T321 PolarHBondContact N-O 2.79Å; D206-T321 PolarHBondContact O-N 3.04Å; N302-T321 WeakPolarHBondContact O-CA 3.12Å; R303-T321 HydrophobicContact CG-CG2 3.87Å; Q319-T321 PolarHBondContact NE2-OG1 2.8Å
322K72.1Confident69.2Low24 Ų2457.7 Ų57.710%0.10431%0.31CS..  trans-90.2148.8-180-158.6167-167.5176.50111.6N302 V326 S328 F329N302-K322 HydrophobicContact CB-CB 4.44Å; N302-K322 PolarHBondContact O-N 2.84Å; K322-V326 HydrophobicContact CD-CB 4.07Å; K322-V326 HydrophobicContact CD-CG1 4.19Å; K322-V326 VanDerWaalsContact CE-CG1 3.46Å; K322-V326 HydrophobicContact CG-CB 4.48Å; K322-S328 PolarHBondContact NZ-O 2.84Å; K322-F329 HydrophobicContact CB-CE1 4.3Å; K322-F329 HydrophobicContact CB-CE2 4.46Å; K322-F329 HydrophobicContact CB-CZ 4.02Å; K322-F329 HydrophobicContact CD-CD1 4.39Å; K322-F329 HydrophobicContact CD-CE1 4.47Å
323S62.6Low69.1Low51 Ų5153.2 Ų53.236%0.35727%0.274SS..  trans-61.9143.9175.3-176.50000111.7E205 K325 V326E205-S323 WeakPolarHBondContact OE2-CA 3.48Å; S323-K325 PolarHBondContact O-N 3.03Å; S323-V326 PolarHBondContact O-N 3.39Å
324R55.2Low69Low228 Ų22851.4 Ų51.486%0.8626%0.263SS*.THydrogen-bonded Turntrans-53-15.6-179.1-72-177177.8-178.4-1.4115.4
325K52.5Low68.7Low189 Ų18953.5 Ų53.582%0.82228%0.278SS*.THydrogen-bonded Turntrans-83-8.6-177.2-65.6-173.3179-1790115.2S323S323-K325 PolarHBondContact O-N 3.03Å
326V54.4Low68.5Low67 Ų6754.6 Ų54.641%0.40629%0.285SS..  trans-128.2119-175.6-171.90000110.8K322 S323 S328K322-V326 HydrophobicContact CD-CB 4.07Å; K322-V326 HydrophobicContact CD-CG1 4.19Å; K322-V326 VanDerWaalsContact CE-CG1 3.46Å; K322-V326 HydrophobicContact CG-CB 4.48Å; S323-V326 PolarHBondContact O-N 3.39Å; V326-S328 VanDerWaalsContact C-N 3.33Å; V326-S328 PolarHBondContact O-N 3.2Å
327N52.1Low68.1Low127 Ų12754.8 Ų54.868%0.67929%0.287SS*.SBendtrans-72-15.2-166.9-66.5-5.5000115.5
328S58.4Low67.7Low68 Ų6860.5 Ų60.548%0.47631%0.311SS..SBendtrans-157.9154.9179.459.70000112.9K322 V326K322-S328 PolarHBondContact NZ-O 2.84Å; V326-S328 VanDerWaalsContact C-N 3.33Å; V326-S328 PolarHBondContact O-N 3.2Å
329F61.7Low67.5Low8 Ų865.2 Ų65.24%0.03533%0.334CS..  trans-66.1133.6164.4-71.1-84.9000109.3V202 L304 I320 K322 R334V202-F329 HydrophobicContact CG1-CD1 4Å; V202-F329 HydrophobicContact CG1-CE1 3.91Å; L304-F329 HydrophobicContact CB-CD2 4.16Å; L304-F329 HydrophobicContact CB-CE1 4.32Å; L304-F329 HydrophobicContact CB-CE2 3.62Å; L304-F329 HydrophobicContact CB-CZ 3.71Å; I320-F329 HydrophobicContact CB-CE1 4.47Å; I320-F329 HydrophobicContact CB-CZ 4.39Å; I320-F329 HydrophobicContact CG2-CE1 3.8Å; I320-F329 HydrophobicContact CG2-CZ 4.06Å; K322-F329 HydrophobicContact CB-CE1 4.3Å; K322-F329 HydrophobicContact CB-CE2 4.46Å; K322-F329 HydrophobicContact CB-CZ 4.02Å; K322-F329 HydrophobicContact CD-CD1 4.39Å; K322-F329 HydrophobicContact CD-CE1 4.47Å; F329-R334 HydrophobicContact CB-CG 4.03Å
330S62.5Low67.4Low56 Ų5665 Ų6539%0.39233%0.332SS..  trans-65.9150.7172.356.80000110.2T332 G333 R334S330-T332 VanDerWaalsContact C-N 3.26Å; S330-T332 VanDerWaalsContact CB-OG1 3.23Å; S330-T332 WeakPolarHBondContact CB-OG1 3.47Å; S330-T332 PolarHBondContact O-N 3.4Å; S330-T332 PolarHBondContact OG-OG1 2.91Å; S330-G333 WeakPolarHBondContact O-CA 3.4Å; S330-G333 PolarHBondContact O-N 2.74Å; S330-G333 PolarHBondContact OG-N 3.16Å; S330-R334 PolarHBondContact O-N 3.46Å
331D63.1Low67.4Low82 Ų8267 Ų6744%0.43934%0.342SS..Hα-helixtrans-65.4-34.4177.4-67.7-47.4000111.1E47 G333 R334 S335E47-D331 WeakPolarHBondContact OE2-CB 3.33Å; D331-G333 VanDerWaalsContact C-N 3.33Å; D331-G333 PolarHBondContact O-N 3.15Å; D331-R334 PolarHBondContact O-N 3.4Å; D331-S335 WeakPolarHBondContact O-CB 3.49Å; D331-S335 PolarHBondContact O-N 3.27Å
332T63.7Low67.8Low72 Ų7270 Ų7044%0.44236%0.362SS..Hα-helixtrans-48.5-51.3163.342.10000112.6E47 S330 S335 V336E47-T332 HydrophobicContact CG-CG2 4.47Å; E47-T332 WeakPolarHBondContact OE1-CA 3.28Å; E47-T332 WeakPolarHBondContact OE1-CG2 3.34Å; E47-T332 PolarHBondContact OE1-N 3.05Å; E47-T332 PolarHBondContact OE2-N 3.36Å; S330-T332 VanDerWaalsContact C-N 3.26Å; S330-T332 VanDerWaalsContact CB-OG1 3.23Å; S330-T332 WeakPolarHBondContact CB-OG1 3.47Å; S330-T332 PolarHBondContact O-N 3.4Å; S330-T332 PolarHBondContact OG-OG1 2.91Å; T332-S335 PolarHBondContact O-N 3.42Å; T332-V336 VanDerWaalsContact O-CG2 3.3Å; T332-V336 WeakPolarHBondContact O-CG2 3.25Å; T332-V336 PolarHBondContact O-N 2.89Å
333G68.3Low68.4Low5 Ų573.1 Ų73.15%0.05238%0.376CS..Hα-helixtrans-64.6-42.5-179.300000112.2S330 D331 S335 V337S330-G333 WeakPolarHBondContact O-CA 3.4Å; S330-G333 PolarHBondContact O-N 2.74Å; S330-G333 PolarHBondContact OG-N 3.16Å; D331-G333 VanDerWaalsContact C-N 3.33Å; D331-G333 PolarHBondContact O-N 3.15Å; G333-S335 VanDerWaalsContact C-N 3.34Å; G333-S335 PolarHBondContact O-N 2.7Å; G333-V337 VanDerWaalsContact O-CG2 3.27Å; G333-V337 WeakPolarHBondContact O-CG2 3.32Å; G333-V337 PolarHBondContact O-N 2.93Å; G333-V337 VanDerWaalsContact O-N 3.1Å
334R69.6Low69.5Low57 Ų5770.9 Ų70.922%0.21536%0.36CS..Hα-helixtrans-64.7-38.8175.1-67-177.3-172.9-993.9111.9N256 F329 S330 D331 K338N256-R334 PolarHBondContact ND2-NH2 3.48Å; N256-R334 VanDerWaalsContact ND2-NH2 3.17Å; N256-R334 PolarHBondContact OD1-NH1 3.26Å; N256-R334 PolarHBondContact OD1-NH2 2.99Å; F329-R334 HydrophobicContact CB-CG 4.03Å; S330-R334 PolarHBondContact O-N 3.46Å; D331-R334 PolarHBondContact O-N 3.4Å; R334-K338 WeakPolarHBondContact O-CG 3.44Å; R334-K338 PolarHBondContact O-N 3.43Å; R334-K338 VanDerWaalsContact O-N 3.08Å
335S72Confident70.9Confident54 Ų5460.9 Ų60.938%0.37833%0.326SS..Hα-helixtrans-66.9-44.7178.9-1730000111.4D331 T332 G333 K338 Q339D331-S335 WeakPolarHBondContact O-CB 3.49Å; D331-S335 PolarHBondContact O-N 3.27Å; T332-S335 PolarHBondContact O-N 3.42Å; G333-S335 VanDerWaalsContact C-N 3.34Å; G333-S335 PolarHBondContact O-N 2.7Å; S335-K338 PolarHBondContact O-N 3.37Å; S335-Q339 WeakPolarHBondContact O-CG 3.49Å; S335-Q339 PolarHBondContact O-N 2.71Å
336V75.2Confident72.4Confident30 Ų3054.1 Ų54.118%0.18230%0.302CS..Hα-helixtrans-63.7-43.9177174.90000111.3L169 F201 T332 K338 Q339 L340L169-V336 HydrophobicContact CD1-CG1 3.92Å; F201-V336 HydrophobicContact CB-CG1 3.69Å; F201-V336 HydrophobicContact CD1-CG1 4.07Å; F201-V336 HydrophobicContact CG-CG1 3.84Å; T332-V336 VanDerWaalsContact O-CG2 3.3Å; T332-V336 WeakPolarHBondContact O-CG2 3.25Å; T332-V336 PolarHBondContact O-N 2.89Å; V336-K338 VanDerWaalsContact C-N 3.32Å; V336-K338 PolarHBondContact O-N 3.35Å; V336-Q339 WeakPolarHBondContact O-CB 3.44Å; V336-Q339 PolarHBondContact O-N 3.44Å; V336-Q339 VanDerWaalsContact O-N 3.1Å; V336-L340 HydrophobicContact CG1-CD1 3.98Å; V336-L340 HydrophobicContact CG1-CG 4.36Å; V336-L340 WeakPolarHBondContact O-CG 3.4Å; V336-L340 PolarHBondContact O-N 2.98Å
337V76.2Confident73.9Confident4 Ų450.9 Ų50.92%0.02428%0.283CS..Hα-helixtrans-61.6-40.3176.7174.20000111.6V202 L304 L306 I320 G333 Q339 L340 Q341V202-V337 HydrophobicContact CG2-CG2 3.51Å; L304-V337 HydrophobicContact CD2-CG1 4.45Å; L306-V337 HydrophobicContact CD1-CG1 3.96Å; L306-V337 HydrophobicContact CD2-CG1 3.67Å; L306-V337 HydrophobicContact CG-CG1 4.27Å; I320-V337 HydrophobicContact CD1-CG1 4.33Å; I320-V337 HydrophobicContact CD1-CG2 3.95Å; G333-V337 VanDerWaalsContact O-CG2 3.27Å; G333-V337 WeakPolarHBondContact O-CG2 3.32Å; G333-V337 PolarHBondContact O-N 2.93Å; G333-V337 VanDerWaalsContact O-N 3.1Å; V337-Q339 VanDerWaalsContact C-N 3.35Å; V337-L340 PolarHBondContact O-N 3.01Å; V337-Q341 PolarHBondContact O-N 3.44Å; V337-Q341 VanDerWaalsContact O-N 3.08Å
338K76.5Confident75.5Confident120 Ų12044.9 Ų44.952%0.52225%0.251SS..Hα-helixtrans-63.2-38.5173.2-77.4178.4178.1-178.50112.4I254 R334 S335 V336 L340 Q341I254-K338 HydrophobicContact CD1-CD 4.32Å; I254-K338 HydrophobicContact CD1-CG 3.77Å; R334-K338 WeakPolarHBondContact O-CG 3.44Å; R334-K338 PolarHBondContact O-N 3.43Å; R334-K338 VanDerWaalsContact O-N 3.08Å; S335-K338 PolarHBondContact O-N 3.37Å; V336-K338 VanDerWaalsContact C-N 3.32Å; V336-K338 PolarHBondContact O-N 3.35Å; K338-L340 VanDerWaalsContact C-N 3.34Å; K338-Q341 PolarHBondContact O-N 3Å
339Q79.5Confident76.7Confident100 Ų10044.8 Ų44.847%0.46725%0.245SC..Hα-helixtrans-68.6-32.7176.1-71.9175.42200112.5S335 V336 V337 P342 F343S335-Q339 WeakPolarHBondContact O-CG 3.49Å; S335-Q339 PolarHBondContact O-N 2.71Å; V336-Q339 WeakPolarHBondContact O-CB 3.44Å; V336-Q339 PolarHBondContact O-N 3.44Å; V336-Q339 VanDerWaalsContact O-N 3.1Å; V337-Q339 VanDerWaalsContact C-N 3.35Å; Q339-P342 WeakPolarHBondContact O-CD 3.3Å; Q339-F343 VanDerWaalsContact O-CD2 3.32Å; Q339-F343 WeakPolarHBondContact O-CD2 3.36Å; Q339-F343 WeakPolarHBondContact O-CE2 3.48Å
340L82.7Confident77.7Confident3 Ų348.7 Ų48.72%0.01626%0.263CS..Hα-helixtrans-75.7-27.9177.4-73.7172000113.2L169 I173 F201 V336 V337 K338 F343 L344L169-L340 HydrophobicContact CD1-CD1 4.41Å; L169-L340 HydrophobicContact CD1-CD2 3.75Å; L169-L340 HydrophobicContact CD1-CG 4.09Å; I173-L340 HydrophobicContact CD1-CD2 3.85Å; I173-L340 HydrophobicContact CG1-CD2 3.55Å; F201-L340 HydrophobicContact CD2-CD1 4.13Å; V336-L340 HydrophobicContact CG1-CD1 3.98Å; V336-L340 HydrophobicContact CG1-CG 4.36Å; V336-L340 WeakPolarHBondContact O-CG 3.4Å; V336-L340 PolarHBondContact O-N 2.98Å; V337-L340 PolarHBondContact O-N 3.01Å; K338-L340 VanDerWaalsContact C-N 3.34Å; L340-F343 WeakPolarHBondContact O-CB 3.48Å; L340-F343 PolarHBondContact O-N 3.01Å; L340-L344 HydrophobicContact CB-CD1 4.41Å; L340-L344 WeakPolarHBondContact O-CG 3.36Å; L340-L344 PolarHBondContact O-N 2.96Å
341Q81.6Confident78.7Confident42 Ų4246 Ų4620%0.19624%0.244CC..Hα-helixtrans-51-45-173.3-171-174.42.200114.6L306 P307 V337 K338 F343 L344 A345L306-Q341 HydrophobicContact CD1-CG 4.31Å; L306-Q341 HydrophobicContact CD2-CB 4.22Å; L306-Q341 HydrophobicContact CD2-CG 4.1Å; L306-Q341 HydrophobicContact CG-CG 4.31Å; P307-Q341 PolarHBondContact O-NE2 2.96Å; V337-Q341 PolarHBondContact O-N 3.44Å; V337-Q341 VanDerWaalsContact O-N 3.08Å; K338-Q341 PolarHBondContact O-N 3Å; Q341-F343 PolarHBondContact O-N 3.49Å; Q341-L344 PolarHBondContact O-N 3.24Å; Q341-A345 PolarHBondContact O-N 3.09Å
342P83.8Confident79.4Confident84 Ų8445 Ų4555%0.54524%0.237SC..Hα-helixtrans-66.1-35.9177.9-19.933.7000113.2Q339 A345 S346Q339-P342 WeakPolarHBondContact O-CD 3.3Å; P342-A345 PolarHBondContact O-N 2.89Å; P342-S346 WeakPolarHBondContact O-CB 3.29Å; P342-S346 PolarHBondContact O-N 3.12Å
343F85.6Confident80.2Confident89 Ų8949.3 Ų49.339%0.3925%0.245SC..Hα-helixtrans-69.7-41.2177.8-61.2-77.2000111I173 M176 F177 Q339 L340 Q341 S346 C347I173-F343 HydrophobicContact CD1-CD2 3.9Å; I173-F343 HydrophobicContact CD1-CE2 3.97Å; I173-F343 HydrophobicContact CD1-CG 4.29Å; I173-F343 HydrophobicContact CD1-CZ 4.41Å; I173-F343 HydrophobicContact CG2-CB 4.25Å; I173-F343 HydrophobicContact CG2-CD1 3.89Å; I173-F343 HydrophobicContact CG2-CE1 4.42Å; I173-F343 HydrophobicContact CG2-CG 4.03Å; M176-F343 HydrophobicContact CE-CB 4.4Å; F177-F343 HydrophobicContact CE2-CB 4.13Å; F177-F343 AromaticContact CE2-CD1 3.99Å; F177-F343 HydrophobicContact CE2-CD1 3.99Å; F177-F343 HydrophobicContact CZ-CB 4.25Å; F177-F343 HydrophobicContact CZ-CD1 4.35Å; Q339-F343 VanDerWaalsContact O-CD2 3.32Å; Q339-F343 WeakPolarHBondContact O-CD2 3.36Å; Q339-F343 WeakPolarHBondContact O-CE2 3.48Å; L340-F343 WeakPolarHBondContact O-CB 3.48Å; L340-F343 PolarHBondContact O-N 3.01Å; Q341-F343 PolarHBondContact O-N 3.49Å; F343-S346 PolarHBondContact O-N 3.35Å; F343-C347 VanDerWaalsContact O-CB 3.3Å; F343-C347 WeakPolarHBondContact O-CB 3.49Å; F343-C347 PolarHBondContact O-N 2.85Å
344L85Confident80.7Confident3 Ų351.9 Ų51.92%0.01626%0.257CS..Hα-helixtrans-59.1-47.3172.1-67.4176.1000111.2M176 V194 I198 I308 L340 Q341 S346 C347 L348M176-L344 HydrophobicContact CE-CD2 4.27Å; M176-L344 HydrophobicContact SD-CD2 3.54Å; M176-L344 VanDerWaalsContact SD-CD2 3.54Å; V194-L344 HydrophobicContact CB-CD2 4.28Å; V194-L344 HydrophobicContact CG1-CD2 3.58Å; V194-L344 HydrophobicContact CG2-CD2 3.92Å; I198-L344 HydrophobicContact CD1-CD1 4.23Å; I308-L344 HydrophobicContact CD1-CB 4.17Å; L340-L344 HydrophobicContact CB-CD1 4.41Å; L340-L344 WeakPolarHBondContact O-CG 3.36Å; L340-L344 PolarHBondContact O-N 2.96Å; Q341-L344 PolarHBondContact O-N 3.24Å; L344-S346 PolarHBondContact O-N 3.47Å; L344-C347 WeakPolarHBondContact O-CB 3.32Å; L344-C347 PolarHBondContact O-N 3.12Å; L344-L348 WeakPolarHBondContact O-CG 3.48Å; L344-L348 PolarHBondContact O-N 2.83Å
345A85.1Confident81.1Confident18 Ų1849.8 Ų49.815%0.14925%0.25CS..Hα-helixtrans-58.8-45.7177.100000112.4I308 Q341 P342 C347 L349I308-A345 VanDerWaalsContact CG2-CA 3.44Å; I308-A345 HydrophobicContact CG2-CB 3.67Å; Q341-A345 PolarHBondContact O-N 3.09Å; P342-A345 PolarHBondContact O-N 2.89Å; A345-C347 VanDerWaalsContact C-N 3.35Å; A345-C347 PolarHBondContact O-N 3.45Å; A345-L349 VanDerWaalsContact O-CB 3.29Å; A345-L349 WeakPolarHBondContact O-CB 3.43Å; A345-L349 PolarHBondContact O-N 3.35Å
346S84.5Confident81.2Confident47 Ų4751.7 Ų51.733%0.32925%0.253SS..Hα-helixtrans-61.7-42.9177.4-1770000112.1P342 F343 L344 L349 Q350P342-S346 WeakPolarHBondContact O-CB 3.29Å; P342-S346 PolarHBondContact O-N 3.12Å; F343-S346 PolarHBondContact O-N 3.35Å; L344-S346 PolarHBondContact O-N 3.47Å; S346-L349 PolarHBondContact O-N 3.44Å; S346-Q350 WeakPolarHBondContact O-CG 3.37Å; S346-Q350 PolarHBondContact O-N 3.28Å
347C85.2Confident81.2Confident0 Ų053.2 Ų53.20%026%0.26CS..Hα-helixtrans-62.1-49.5179-163.40000112.1M176 F177 T180 F343 L344 A345 L349 Q350 M351M176-C347 HydrophobicContact CE-CB 4.27Å; F177-C347 HydrophobicContact CD1-CB 4.23Å; F177-C347 HydrophobicContact CE1-CB 3.81Å; F177-C347 HydrophobicContact CZ-CB 4.41Å; T180-C347 VanDerWaalsContact CB-SG 3.59Å; T180-C347 WeakPolarHBondContact CG2-SG 3.49Å; T180-C347 PolarHBondContact OG1-SG 3.44Å; F343-C347 VanDerWaalsContact O-CB 3.3Å; F343-C347 WeakPolarHBondContact O-CB 3.49Å; F343-C347 PolarHBondContact O-N 2.85Å; L344-C347 WeakPolarHBondContact O-CB 3.32Å; L344-C347 PolarHBondContact O-N 3.12Å; A345-C347 VanDerWaalsContact C-N 3.35Å; A345-C347 PolarHBondContact O-N 3.45Å; C347-L349 VanDerWaalsContact C-N 3.32Å; C347-L349 PolarHBondContact O-N 2.82Å; C347-Q350 PolarHBondContact O-N 2.96Å; C347-M351 WeakPolarHBondContact O-CB 3.24Å; C347-M351 PolarHBondContact O-N 3.48Å; C347-M351 VanDerWaalsContact O-N 3.09Å
348L85.7Confident80.9Confident0 Ų057.1 Ų57.10%028%0.278CS..Hα-helixtrans-65.6-35.9178.2-58-177.6000111.9V190 V194 L209 W211 I308 M315 A316 L344 Q352V190-L348 HydrophobicContact CG1-CD2 3.71Å; V194-L348 HydrophobicContact CG2-CD2 4.46Å; L209-L348 HydrophobicContact CD2-CD2 4.21Å; W211-L348 HydrophobicContact CH2-CB 4.36Å; W211-L348 HydrophobicContact CH2-CD2 3.45Å; W211-L348 VanDerWaalsContact CH2-CD2 3.45Å; W211-L348 HydrophobicContact CH2-CG 4.29Å; W211-L348 HydrophobicContact CZ2-CD2 4.03Å; W211-L348 HydrophobicContact CZ3-CB 4.26Å; W211-L348 HydrophobicContact CZ3-CD1 4.4Å; W211-L348 HydrophobicContact CZ3-CD2 4.07Å; W211-L348 HydrophobicContact CZ3-CG 4.46Å; I308-L348 HydrophobicContact CB-CD1 4.41Å; I308-L348 HydrophobicContact CD1-CD1 3.67Å; I308-L348 HydrophobicContact CG2-CD1 4Å; M315-L348 HydrophobicContact CE-CB 4.04Å; A316-L348 HydrophobicContact CB-CD1 3.73Å; L344-L348 WeakPolarHBondContact O-CG 3.48Å; L344-L348 PolarHBondContact O-N 2.83Å; L348-Q352 WeakPolarHBondContact O-CG 3.4Å; L348-Q352 PolarHBondContact O-N 3.33Å
349L84Confident80.5Confident67 Ų6756.9 Ų56.935%0.35128%0.279SS..Hα-helixtrans-66.3-46.7178.4179.364.7000112.4K310 M315 A345 S346 C347 M351 Q352 W353K310-L349 HydrophobicContact CD-CD1 3.62Å; K310-L349 HydrophobicContact CG-CD1 4.08Å; M315-L349 HydrophobicContact CE-CB 4.15Å; M315-L349 HydrophobicContact CE-CD1 4.36Å; M315-L349 HydrophobicContact SD-CB 4.4Å; A345-L349 VanDerWaalsContact O-CB 3.29Å; A345-L349 WeakPolarHBondContact O-CB 3.43Å; A345-L349 PolarHBondContact O-N 3.35Å; S346-L349 PolarHBondContact O-N 3.44Å; C347-L349 VanDerWaalsContact C-N 3.32Å; C347-L349 PolarHBondContact O-N 2.82Å; L349-M351 VanDerWaalsContact C-N 3.33Å; L349-Q352 PolarHBondContact O-N 3.12Å; L349-W353 PolarHBondContact O-N 2.95Å; L349-W353 VanDerWaalsContact O-N 3.14Å
350Q82Confident79.9Confident89 Ų8957.6 Ų57.642%0.41628%0.28SS..Hα-helixtrans-65.6-39.5179.3-72.9178.3-8.900111.1F181 S346 C347 W353 L354F181-Q350 HydrophobicContact CE1-CB 3.81Å; F181-Q350 HydrophobicContact CZ-CB 3.84Å; S346-Q350 WeakPolarHBondContact O-CG 3.37Å; S346-Q350 PolarHBondContact O-N 3.28Å; C347-Q350 PolarHBondContact O-N 2.96Å; Q350-W353 PolarHBondContact O-N 3.21Å; Q350-L354 WeakPolarHBondContact O-CG 3.5Å; Q350-L354 PolarHBondContact O-N 2.88Å
351M82.9Confident79Confident0 Ų062.4 Ų62.40%031%0.306CS..Hα-helixtrans-62.5-44.6173.3172.2-91.7-118.200112.7P184 K187 V190 W211 C347 L349 W353 L354 N355P184-M351 WeakPolarHBondContact O-CG 3.44Å; K187-M351 HydrophobicContact CB-CE 4.05Å; K187-M351 HydrophobicContact CG-CE 3.74Å; V190-M351 HydrophobicContact CB-CE 3.75Å; V190-M351 HydrophobicContact CG1-CE 4.04Å; V190-M351 HydrophobicContact CG2-CE 3.55Å; V190-M351 HydrophobicContact CG2-CG 3.96Å; W211-M351 HydrophobicContact CH2-CE 3.28Å; W211-M351 HydrophobicContact CH2-SD 4.09Å; W211-M351 HydrophobicContact CZ2-CE 3.59Å; W211-M351 HydrophobicContact CZ3-CE 4.25Å; C347-M351 WeakPolarHBondContact O-CB 3.24Å; C347-M351 PolarHBondContact O-N 3.48Å; C347-M351 VanDerWaalsContact O-N 3.09Å; L349-M351 VanDerWaalsContact C-N 3.33Å; M351-W353 PolarHBondContact O-N 2.95Å; M351-L354 PolarHBondContact O-N 3.29Å; M351-N355 WeakPolarHBondContact O-CB 3.42Å; M351-N355 PolarHBondContact O-N 3.02Å; M351-N355 PolarHBondContact O-ND2 3.03Å; M351-N355 PolarHBondContact SD-ND2 3.25Å
352Q78.7Confident78Confident60 Ų6063.4 Ų63.428%0.2832%0.316SS..Hα-helixtrans-59-37.3176.6-80.4-173.5-13.100111.9M315 L348 L349 H356M315-Q352 HydrophobicContact CE-CG 4.21Å; L348-Q352 WeakPolarHBondContact O-CG 3.4Å; L348-Q352 PolarHBondContact O-N 3.33Å; L349-Q352 PolarHBondContact O-N 3.12Å; Q352-H356 WeakPolarHBondContact O-CB 3.42Å; Q352-H356 PolarHBondContact O-N 2.91Å
353W79.7Confident76.7Confident164 Ų16463.5 Ų63.562%0.62132%0.316SS*.Hα-helixtrans-68.5-43.1177.6-170.781000112.5L349 Q350 M351 H356 L357L349-W353 PolarHBondContact O-N 2.95Å; L349-W353 VanDerWaalsContact O-N 3.14Å; Q350-W353 PolarHBondContact O-N 3.21Å; M351-W353 PolarHBondContact O-N 2.95Å; W353-H356 PolarHBondContact O-N 3.36Å; W353-L357 HydrophobicContact CD2-CD1 3.96Å; W353-L357 HydrophobicContact CD2-CG 4.4Å; W353-L357 HydrophobicContact CE3-CD1 3.59Å; W353-L357 HydrophobicContact CE3-CG 4.43Å; W353-L357 HydrophobicContact CH2-CD1 3.36Å; W353-L357 HydrophobicContact CH2-CG 4.48Å; W353-L357 HydrophobicContact CZ2-CD1 3.7Å; W353-L357 HydrophobicContact CZ2-CG 4.4Å; W353-L357 HydrophobicContact CZ3-CD1 3.28Å; W353-L357 HydrophobicContact CZ3-CG 4.48Å; W353-L357 WeakPolarHBondContact O-CG 3.48Å; W353-L357 PolarHBondContact O-N 3.39Å
354L79.8Confident75.1Confident58 Ų5862.1 Ų62.130%0.30432%0.315SS..Hα-helixtrans-63-45.6175.2-72.3170.1000111.8F181 P184 Q350 M351 H356 L357 H358F181-L354 HydrophobicContact CD1-CD1 3.82Å; F181-L354 HydrophobicContact CE1-CD1 4.07Å; P184-L354 HydrophobicContact CB-CB 4Å; P184-L354 HydrophobicContact CB-CD1 3.78Å; P184-L354 HydrophobicContact CG-CD1 4.36Å; Q350-L354 WeakPolarHBondContact O-CG 3.5Å; Q350-L354 PolarHBondContact O-N 2.88Å; M351-L354 PolarHBondContact O-N 3.29Å; L354-H356 VanDerWaalsContact C-N 3.33Å; L354-H356 PolarHBondContact O-N 3.38Å; L354-L357 PolarHBondContact O-N 3.31Å; L354-H358 PolarHBondContact O-N 3.09Å
355N76.6Confident73.5Confident14 Ų1467.5 Ų67.58%0.07534%0.338CS..Hα-helixtrans-56.8-46.3174-92.5-48.5000111.9P184 D185 M351 L357 H358 E359P184-N355 PolarHBondContact O-ND2 3.26Å; P184-N355 PolarHBondContact O-OD1 3.07Å; D185-N355 VanDerWaalsContact CA-OD1 3.24Å; D185-N355 WeakPolarHBondContact CA-OD1 3.21Å; D185-N355 PolarHBondContact O-OD1 3.31Å; M351-N355 WeakPolarHBondContact O-CB 3.42Å; M351-N355 PolarHBondContact O-N 3.02Å; M351-N355 PolarHBondContact O-ND2 3.03Å; M351-N355 PolarHBondContact SD-ND2 3.25Å; N355-L357 VanDerWaalsContact C-N 3.33Å; N355-L357 PolarHBondContact O-N 3.24Å; N355-H358 PolarHBondContact O-N 3.14Å; N355-E359 WeakPolarHBondContact O-CB 3.3Å; N355-E359 WeakPolarHBondContact O-CG 3.31Å; N355-E359 PolarHBondContact O-N 3.22Å
356H75.3Confident71.7Confident93 Ų9368.5 Ų68.543%0.43134%0.344SS..Hα-helixtrans-63-38.1178.1-173.467.6000112.8Q352 W353 L354 K360Q352-H356 WeakPolarHBondContact O-CB 3.42Å; Q352-H356 PolarHBondContact O-N 2.91Å; W353-H356 PolarHBondContact O-N 3.36Å; L354-H356 VanDerWaalsContact C-N 3.33Å; L354-H356 PolarHBondContact O-N 3.38Å; H356-K360 VanDerWaalsContact NE2-CE 3.32Å; H356-K360 WeakPolarHBondContact NE2-CE 3.34Å; H356-K360 VanDerWaalsContact O-CB 3.32Å; H356-K360 WeakPolarHBondContact O-CB 3.24Å; H356-K360 WeakPolarHBondContact O-CG 3.44Å; H356-K360 PolarHBondContact O-N 2.89Å
357L74.8Confident69.8Low62 Ų6267.9 Ų67.933%0.32534%0.34SS..Hα-helixtrans-67-41173.5-76.1178.5000112.1W353 L354 N355 K360 N361W353-L357 HydrophobicContact CD2-CD1 3.96Å; W353-L357 HydrophobicContact CD2-CG 4.4Å; W353-L357 HydrophobicContact CE3-CD1 3.59Å; W353-L357 HydrophobicContact CE3-CG 4.43Å; W353-L357 HydrophobicContact CH2-CD1 3.36Å; W353-L357 HydrophobicContact CH2-CG 4.48Å; W353-L357 HydrophobicContact CZ2-CD1 3.7Å; W353-L357 HydrophobicContact CZ2-CG 4.4Å; W353-L357 HydrophobicContact CZ3-CD1 3.28Å; W353-L357 HydrophobicContact CZ3-CG 4.48Å; W353-L357 WeakPolarHBondContact O-CG 3.48Å; W353-L357 PolarHBondContact O-N 3.39Å; L354-L357 PolarHBondContact O-N 3.31Å; N355-L357 VanDerWaalsContact C-N 3.33Å; N355-L357 PolarHBondContact O-N 3.24Å; L357-K360 PolarHBondContact O-N 3.33Å; L357-N361 WeakPolarHBondContact O-CB 3.45Å; L357-N361 VanDerWaalsContact O-CG 3.28Å; L357-N361 PolarHBondContact O-N 3Å; L357-N361 PolarHBondContact O-ND2 3.49Å
358H70.8Confident67.9Low87 Ų8774 Ų7440%0.40337%0.368SS..Hα-helixtrans-63.7-48.8176.9-170.190.5000110.9D185 L354 N355 K360 N361 C362D185-H358 IonicContact OD1-CG 3.15Å; D185-H358 IonicContact OD1-ND1 2.77Å; D185-H358 IonicContact OD2-CE1 3.58Å; D185-H358 IonicContact OD2-ND1 3.8Å; L354-H358 PolarHBondContact O-N 3.09Å; N355-H358 PolarHBondContact O-N 3.14Å; H358-K360 PolarHBondContact O-N 3.45Å; H358-N361 PolarHBondContact O-N 3.31Å; H358-C362 PolarHBondContact NE2-SG 3.44Å; H358-C362 VanDerWaalsContact NE2-SG 3.43Å; H358-C362 WeakPolarHBondContact O-CB 3.42Å; H358-C362 PolarHBondContact O-N 3.25Å; H358-C362 PolarHBondContact O-SG 2.97Å
359E67.4Low66.1Low115 Ų11576.8 Ų76.854%0.53738%0.379SS..Hα-helixtrans-57.9-46.8174.5-75.6179.918000111.4N355 N361 C362 V363N355-E359 WeakPolarHBondContact O-CB 3.3Å; N355-E359 WeakPolarHBondContact O-CG 3.31Å; N355-E359 PolarHBondContact O-N 3.22Å; E359-N361 PolarHBondContact O-N 2.97Å; E359-C362 PolarHBondContact O-N 2.93Å; E359-V363 WeakPolarHBondContact O-CB 3.45Å; E359-V363 VanDerWaalsContact O-CG2 3.25Å; E359-V363 WeakPolarHBondContact O-CG2 3.36Å; E359-V363 PolarHBondContact O-N 2.88Å
360K65.9Low64.3Low115 Ų11581.6 Ų81.650%0.539%0.392SS..Hα-helixtrans-60.3-46.3175.5-84-171.8168.1-1750112.3H356 L357 H358 V363 T364H356-K360 VanDerWaalsContact NE2-CE 3.32Å; H356-K360 WeakPolarHBondContact NE2-CE 3.34Å; H356-K360 VanDerWaalsContact O-CB 3.32Å; H356-K360 WeakPolarHBondContact O-CB 3.24Å; H356-K360 WeakPolarHBondContact O-CG 3.44Å; H356-K360 PolarHBondContact O-N 2.89Å; L357-K360 PolarHBondContact O-N 3.33Å; H358-K360 PolarHBondContact O-N 3.45Å; K360-V363 PolarHBondContact O-N 3.2Å; K360-T364 WeakPolarHBondContact O-CB 3.46Å; K360-T364 PolarHBondContact O-N 3.29Å; K360-T364 PolarHBondContact O-OG1 3.14Å
361N64.7Low62.4Low104 Ų10484.8 Ų84.856%0.55641%0.405SS*.Hα-helixtrans-61.8-48177.4-77.3-23.7000110.7L357 H358 E359 V363 T364 F365L357-N361 WeakPolarHBondContact O-CB 3.45Å; L357-N361 VanDerWaalsContact O-CG 3.28Å; L357-N361 PolarHBondContact O-N 3Å; L357-N361 PolarHBondContact O-ND2 3.49Å; H358-N361 PolarHBondContact O-N 3.31Å; E359-N361 PolarHBondContact O-N 2.97Å; N361-V363 VanDerWaalsContact C-N 3.32Å; N361-V363 PolarHBondContact O-N 2.8Å; N361-T364 PolarHBondContact O-N 2.73Å; N361-F365 WeakPolarHBondContact O-CB 3.38Å; N361-F365 PolarHBondContact O-N 2.94Å
362C60.5Low60.9Low62 Ų6288.1 Ų88.142%0.41943%0.428SS..Hα-helixtrans-58.1-43.7176.6-77.30000111.8H358 E359 S366H358-C362 PolarHBondContact NE2-SG 3.44Å; H358-C362 VanDerWaalsContact NE2-SG 3.43Å; H358-C362 WeakPolarHBondContact O-CB 3.42Å; H358-C362 PolarHBondContact O-N 3.25Å; H358-C362 PolarHBondContact O-SG 2.97Å; E359-C362 PolarHBondContact O-N 2.93Å; C362-S366 WeakPolarHBondContact O-CB 3.43Å; C362-S366 PolarHBondContact O-N 3.43Å; C362-S366 PolarHBondContact O-OG 3.5Å
363V56.3Low59.5Low87 Ų8786.9 Ų86.953%0.52742%0.424SS..Hα-helixtrans-65.3-58.1175.71740000110.2E359 K360 N361 F365 S366 S367E359-V363 WeakPolarHBondContact O-CB 3.45Å; E359-V363 VanDerWaalsContact O-CG2 3.25Å; E359-V363 WeakPolarHBondContact O-CG2 3.36Å; E359-V363 PolarHBondContact O-N 2.88Å; K360-V363 PolarHBondContact O-N 3.2Å; N361-V363 VanDerWaalsContact C-N 3.32Å; N361-V363 PolarHBondContact O-N 2.8Å; V363-F365 PolarHBondContact O-N 3.34Å; V363-S366 PolarHBondContact O-N 3.47Å; V363-S366 PolarHBondContact O-OG 3.42Å; V363-S367 WeakPolarHBondContact O-CA 3.38Å; V363-S367 WeakPolarHBondContact O-CB 3.25Å; V363-S367 PolarHBondContact O-N 3.24Å; V363-S367 PolarHBondContact O-OG 3Å
364T52.3Low57.8Low60 Ų6082.2 Ų82.237%0.36842%0.416SS..Hα-helixtrans-57.1-46.1-177.7-54.20000112.1K360 N361 S366 E368K360-T364 WeakPolarHBondContact O-CB 3.46Å; K360-T364 PolarHBondContact O-N 3.29Å; K360-T364 PolarHBondContact O-OG1 3.14Å; N361-T364 PolarHBondContact O-N 2.73Å; T364-S366 PolarHBondContact O-N 2.89Å; T364-E368 VanDerWaalsContact CG2-CD 3.43Å; T364-E368 HydrophobicContact CG2-CG 4.13Å; T364-E368 WeakPolarHBondContact CG2-OE2 3.45Å; T364-E368 VanDerWaalsContact O-CB 3.29Å; T364-E368 WeakPolarHBondContact O-CB 3.29Å; T364-E368 WeakPolarHBondContact O-CG 3.38Å; T364-E368 PolarHBondContact O-N 3.28Å
365F51.4Low56.3Low116 Ų11682.5 Ų82.551%0.50943%0.433SS..Hα-helixtrans-68.7-36.7-179-136.3-96.6000112.3N361 V363 R369N361-F365 WeakPolarHBondContact O-CB 3.38Å; N361-F365 PolarHBondContact O-N 2.94Å; V363-F365 PolarHBondContact O-N 3.34Å; F365-R369 VanDerWaalsContact CE1-NH2 3.26Å; F365-R369 VanDerWaalsContact O-CB 3.28Å; F365-R369 WeakPolarHBondContact O-CB 3.26Å; F365-R369 WeakPolarHBondContact O-CD 3.23Å; F365-R369 WeakPolarHBondContact O-CG 3.42Å
366S47.7Very low55.5Low38 Ų3883.4 Ų83.427%0.26644%0.438SS..Hα-helixtrans-83.1-36.1178.169.60000112.7C362 V363 T364 R370C362-S366 WeakPolarHBondContact O-CB 3.43Å; C362-S366 PolarHBondContact O-N 3.43Å; C362-S366 PolarHBondContact O-OG 3.5Å; V363-S366 PolarHBondContact O-N 3.47Å; V363-S366 PolarHBondContact O-OG 3.42Å; T364-S366 PolarHBondContact O-N 2.89Å; S366-R370 WeakPolarHBondContact O-CB 3.36Å; S366-R370 WeakPolarHBondContact O-CD 3.47Å; S366-R370 WeakPolarHBondContact O-CG 3.36Å; S366-R370 PolarHBondContact O-N 3.3Å
367S43.9Very low55Low35 Ų3589.3 Ų89.325%0.24546%0.456CS..Hα-helixtrans-82.4-47.7-175.5700000112.2V363 R369 R370 F371V363-S367 WeakPolarHBondContact O-CA 3.38Å; V363-S367 WeakPolarHBondContact O-CB 3.25Å; V363-S367 PolarHBondContact O-N 3.24Å; V363-S367 PolarHBondContact O-OG 3Å; S367-R369 VanDerWaalsContact C-N 3.32Å; S367-R369 PolarHBondContact O-N 3.11Å; S367-R370 CarbonylContact O-C 3.51Å; S367-R370 PolarHBondContact O-N 3.07Å; S367-F371 VanDerWaalsContact O-CB 3.29Å; S367-F371 WeakPolarHBondContact O-CB 3.38Å; S367-F371 WeakPolarHBondContact O-CD2 3.33Å; S367-F371 PolarHBondContact O-N 3.47Å
368E45.6Very low55.3Low129 Ų12988.1 Ų88.160%0.60345%0.449SS*.Hα-helixtrans-66-38.5-179.9-67.8-179.3167.900111.2T364 F371 S372T364-E368 VanDerWaalsContact CG2-CD 3.43Å; T364-E368 HydrophobicContact CG2-CG 4.13Å; T364-E368 WeakPolarHBondContact CG2-OE2 3.45Å; T364-E368 VanDerWaalsContact O-CB 3.29Å; T364-E368 WeakPolarHBondContact O-CB 3.29Å; T364-E368 WeakPolarHBondContact O-CG 3.38Å; T364-E368 PolarHBondContact O-N 3.28Å; E368-F371 PolarHBondContact O-N 2.88Å; E368-S372 WeakPolarHBondContact O-CB 3.36Å; E368-S372 PolarHBondContact O-N 2.91Å; E368-S372 PolarHBondContact O-OG 2.83Å
369R48Very low56Low58 Ų5886.1 Ų86.122%0.21945%0.448CS..Hα-helixtrans-71.4-41.7174.8-60-167.7-171.3-160-11.4112F365 S367 F371 S372 L373 D530 C534F365-R369 VanDerWaalsContact CE1-NH2 3.26Å; F365-R369 VanDerWaalsContact O-CB 3.28Å; F365-R369 WeakPolarHBondContact O-CB 3.26Å; F365-R369 WeakPolarHBondContact O-CD 3.23Å; F365-R369 WeakPolarHBondContact O-CG 3.42Å; S367-R369 VanDerWaalsContact C-N 3.32Å; S367-R369 PolarHBondContact O-N 3.11Å; R369-F371 VanDerWaalsContact C-N 3.3Å; R369-F371 PolarHBondContact O-N 3.08Å; R369-S372 VanDerWaalsContact CA-OG 3.28Å; R369-S372 WeakPolarHBondContact CA-OG 3.46Å; R369-S372 PolarHBondContact O-N 3.43Å; R369-S372 PolarHBondContact O-OG 3.19Å; R369-L373 WeakPolarHBondContact O-CB 3.38Å; R369-L373 WeakPolarHBondContact O-CD1 3.38Å; R369-L373 PolarHBondContact O-N 3.42Å; R369-D530 IonicContact CZ-OD2 3.45Å; R369-D530 IonicContact NH1-OD2 3.56Å; R369-D530 IonicContact NH2-OD2 2.96Å; R369-D530 PolarHBondContact NH2-OD2 2.8Å; R369-C534 WeakPolarHBondContact CD-SG 3.5Å; R369-C534 PolarHBondContact NH1-SG 2.79Å
370R45.7Very low57Low168 Ų16885.3 Ų85.363%0.63444%0.444SS*.Hα-helixtrans-63.4-34.9170.3-79174.8-152.81534.7111.8S366 S367 S374S366-R370 WeakPolarHBondContact O-CB 3.36Å; S366-R370 WeakPolarHBondContact O-CD 3.47Å; S366-R370 WeakPolarHBondContact O-CG 3.36Å; S366-R370 PolarHBondContact O-N 3.3Å; S367-R370 CarbonylContact O-C 3.51Å; S367-R370 PolarHBondContact O-N 3.07Å; R370-S374 WeakPolarHBondContact O-CA 3.48Å; R370-S374 WeakPolarHBondContact O-CB 3.46Å; R370-S374 PolarHBondContact O-N 3.06Å; R370-S374 PolarHBondContact O-OG 3.21Å
371F42.9Very low58.2Low155 Ų15587.5 Ų87.568%0.6846%0.456SS*.Hα-helixtrans-70.5-44.1179.1-90.2-69.2000111.2S367 E368 R369 L373 S374 G375S367-F371 VanDerWaalsContact O-CB 3.29Å; S367-F371 WeakPolarHBondContact O-CB 3.38Å; S367-F371 WeakPolarHBondContact O-CD2 3.33Å; S367-F371 PolarHBondContact O-N 3.47Å; E368-F371 PolarHBondContact O-N 2.88Å; R369-F371 VanDerWaalsContact C-N 3.3Å; R369-F371 PolarHBondContact O-N 3.08Å; F371-L373 VanDerWaalsContact C-N 3.35Å; F371-L373 PolarHBondContact O-N 3Å; F371-S374 VanDerWaalsContact CA-OG 3.29Å; F371-S374 WeakPolarHBondContact CA-OG 3.37Å; F371-S374 PolarHBondContact O-N 3.26Å; F371-S374 PolarHBondContact O-OG 3.48Å; F371-G375 PolarHBondContact O-N 3.09Å
372S51Low59.5Low71 Ų7185.4 Ų85.450%0.49744%0.443SS..Hα-helixtrans-63.3-36.917442.50000112.8E368 R369E368-S372 WeakPolarHBondContact O-CB 3.36Å; E368-S372 PolarHBondContact O-N 2.91Å; E368-S372 PolarHBondContact O-OG 2.83Å; R369-S372 VanDerWaalsContact CA-OG 3.28Å; R369-S372 WeakPolarHBondContact CA-OG 3.46Å; R369-S372 PolarHBondContact O-N 3.43Å; R369-S372 PolarHBondContact O-OG 3.19Å
373L49.7Very low61Low34 Ų3482.5 Ų82.518%0.17842%0.423CS..Hα-helixtrans-77.9-33.4171.2-85.3132.7000114.1R369 F371 G375 L376 C534 I535R369-L373 WeakPolarHBondContact O-CB 3.38Å; R369-L373 WeakPolarHBondContact O-CD1 3.38Å; R369-L373 PolarHBondContact O-N 3.42Å; F371-L373 VanDerWaalsContact C-N 3.35Å; F371-L373 PolarHBondContact O-N 3Å; L373-G375 PolarHBondContact O-N 2.97Å; L373-L376 HydrophobicContact CD2-CD1 3.94Å; L373-L376 HydrophobicContact CG-CD1 4.25Å; L373-L376 WeakPolarHBondContact O-CA 3.49Å; L373-L376 WeakPolarHBondContact O-CB 3.22Å; L373-L376 PolarHBondContact O-N 2.84Å; L373-C534 HydrophobicContact CD1-CB 3.33Å; L373-I535 HydrophobicContact CD2-CG1 3.64Å
374S43Very low62.8Low66 Ų6682.6 Ų82.646%0.46242%0.421SS..Hα-helixtrans-72.6-18178.971.60000112.7R370 F371 L376R370-S374 WeakPolarHBondContact O-CA 3.48Å; R370-S374 WeakPolarHBondContact O-CB 3.46Å; R370-S374 PolarHBondContact O-N 3.06Å; R370-S374 PolarHBondContact O-OG 3.21Å; F371-S374 VanDerWaalsContact CA-OG 3.29Å; F371-S374 WeakPolarHBondContact CA-OG 3.37Å; F371-S374 PolarHBondContact O-N 3.26Å; F371-S374 PolarHBondContact O-OG 3.48Å; S374-L376 PolarHBondContact O-N 3.21Å
375G49.3Very low64.8Low64 Ų6483.3 Ų83.366%0.6643%0.428SS*.THydrogen-bonded Turntrans-64.8-24.316400000112.7F371 L373 R377F371-G375 PolarHBondContact O-N 3.09Å; L373-G375 PolarHBondContact O-N 2.97Å; G375-R377 PolarHBondContact O-N 3.43Å
376L59.3Low66.9Low33 Ų3378.2 Ų78.217%0.17341%0.406CS..  trans-80.965.4171.5-50161.6000108.9L373 S374 I378 K449 S450L373-L376 HydrophobicContact CD2-CD1 3.94Å; L373-L376 HydrophobicContact CG-CD1 4.25Å; L373-L376 WeakPolarHBondContact O-CA 3.49Å; L373-L376 WeakPolarHBondContact O-CB 3.22Å; L373-L376 PolarHBondContact O-N 2.84Å; S374-L376 PolarHBondContact O-N 3.21Å; L376-I378 PolarHBondContact O-N 2.96Å; L376-K449 HydrophobicContact CD2-CB 3.39Å; L376-K449 WeakPolarHBondContact CD2-O 3.45Å; L376-S450 WeakPolarHBondContact CD1-OG 3.28Å
377R65.6Low69.1Low216 Ų21676.9 Ų76.982%0.81540%0.397SS*.  trans-62.2102.2167.1-74.1-173.2178.3-179.5-0.6107.8G375 A379 K449G375-R377 PolarHBondContact O-N 3.43Å; R377-A379 PolarHBondContact O-N 3.24Å; R377-K449 PolarHBondContact O-NZ 2.96Å
378I79.9Confident71.5Confident37 Ų3781.9 Ų81.919%0.1942%0.42CS..  trans-77.9118.9169.1-55.1177.9000105.8L376 E380 V383 R442 L445 A446L376-I378 PolarHBondContact O-N 2.96Å; I378-E380 PolarHBondContact O-N 2.73Å; I378-V383 HydrophobicContact CG2-CG2 3.45Å; I378-V383 VanDerWaalsContact CG2-CG2 3.45Å; I378-R442 WeakPolarHBondContact CD1-O 3.49Å; I378-L445 HydrophobicContact CD1-CB 4.09Å; I378-L445 HydrophobicContact CG1-CB 4.4Å; I378-L445 HydrophobicContact CG2-CB 3.79Å; I378-L445 HydrophobicContact CG2-CD1 3.58Å; I378-L445 HydrophobicContact CG2-CG 4.26Å; I378-A446 HydrophobicContact CD1-CB 3.96Å
379A85.6Confident73.9Confident45 Ų4578.2 Ų78.237%0.37240%0.401SS..  trans-72131.9179.700000108.6R377 E381 E382 V383R377-A379 PolarHBondContact O-N 3.24Å; A379-E381 PolarHBondContact O-N 3.18Å; A379-E381 VanDerWaalsContact O-N 3.16Å; A379-E382 HydrophobicContact CB-CG 4.06Å; A379-E382 PolarHBondContact N-OE2 3.38Å; A379-E382 WeakPolarHBondContact O-CB 3.37Å; A379-E382 PolarHBondContact O-N 3.41Å; A379-V383 PolarHBondContact O-N 3.1Å
380E89.1Confident76.1Confident99 Ų9983 Ų8346%0.46343%0.426SS..Hα-helixtrans-57-32.2179.2-76.2-62.8140.600112.3I378 E382 V383 L384 R442I378-E380 PolarHBondContact O-N 2.73Å; E380-E382 PolarHBondContact O-N 3.32Å; E380-V383 PolarHBondContact O-N 2.9Å; E380-L384 WeakPolarHBondContact O-CB 3.49Å; E380-L384 VanDerWaalsContact O-CG 3.29Å; E380-L384 WeakPolarHBondContact O-CG 3.31Å; E380-L384 PolarHBondContact O-N 3.1Å; E380-R442 IonicContact OE1-CZ 3.31Å; E380-R442 IonicContact OE1-NE 2.83Å; E380-R442 IonicContact OE1-NH2 2.91Å; E380-R442 PolarHBondContact OE1-NH2 3.38Å; E380-R442 IonicContact OE2-CZ 3Å; E380-R442 IonicContact OE2-NH2 3.1Å; E380-R442 PolarHBondContact OE2-NH2 3.44Å
381E91.1Very high78.3Confident161 Ų16177.7 Ų77.775%0.75241%0.409SS*.Hα-helixtrans-59.9-42.5173.1-173178.4-177.700112.4A379 L384 S385A379-E381 PolarHBondContact O-N 3.18Å; A379-E381 VanDerWaalsContact O-N 3.16Å; E381-L384 PolarHBondContact O-N 3.28Å; E381-S385 VanDerWaalsContact O-CB 3.28Å; E381-S385 WeakPolarHBondContact O-CB 3.49Å; E381-S385 PolarHBondContact O-N 2.99Å; E381-S385 PolarHBondContact O-OG 2.92Å
382E91.4Very high80.6Confident59 Ų5974.2 Ų74.228%0.27640%0.395SS..Hα-helixtrans-63.5-43.5176-65.7176146.100110.5A379 E380 S385 L386 L445 K449A379-E382 HydrophobicContact CB-CG 4.06Å; A379-E382 PolarHBondContact N-OE2 3.38Å; A379-E382 WeakPolarHBondContact O-CB 3.37Å; A379-E382 PolarHBondContact O-N 3.41Å; E380-E382 PolarHBondContact O-N 3.32Å; E382-S385 PolarHBondContact O-N 3.06Å; E382-S385 PolarHBondContact O-OG 3.36Å; E382-L386 WeakPolarHBondContact O-CB 3.4Å; E382-L386 PolarHBondContact O-N 2.99Å; E382-L445 HydrophobicContact CB-CD1 3.94Å; E382-L445 HydrophobicContact CB-CD2 4.23Å; E382-K449 IonicContact OE1-NZ 3.71Å; E382-K449 WeakPolarHBondContact OE2-CE 3.41Å; E382-K449 IonicContact OE2-NZ 3.17Å; E382-K449 PolarHBondContact OE2-NZ 3.01Å
383V92.6Very high82.6Confident1 Ų178.5 Ų78.51%0.00641%0.405CS..Hα-helixtrans-62-48.5178.2-178.30000110.9I378 A379 E380 L386 S387 A441 R442 L445I378-V383 HydrophobicContact CG2-CG2 3.45Å; I378-V383 VanDerWaalsContact CG2-CG2 3.45Å; A379-V383 PolarHBondContact O-N 3.1Å; E380-V383 PolarHBondContact O-N 2.9Å; V383-L386 PolarHBondContact O-N 3.25Å; V383-S387 WeakPolarHBondContact O-CB 3.26Å; V383-S387 PolarHBondContact O-N 3.1Å; V383-S387 PolarHBondContact O-OG 2.84Å; V383-A441 HydrophobicContact CG1-CB 4.21Å; V383-R442 HydrophobicContact CB-CG 4.42Å; V383-R442 HydrophobicContact CG1-CG 3.76Å; V383-R442 HydrophobicContact CG2-CG 3.7Å; V383-L445 HydrophobicContact CB-CD1 4.49Å; V383-L445 HydrophobicContact CG2-CD1 3.91Å
384L93.9Very high84.5Confident89 Ų8977 Ų7747%0.46640%0.397SS..Hα-helixtrans-63-46179.1-70.8172.8000110.7E380 E381 L386 S387 L388E380-L384 WeakPolarHBondContact O-CB 3.49Å; E380-L384 VanDerWaalsContact O-CG 3.29Å; E380-L384 WeakPolarHBondContact O-CG 3.31Å; E380-L384 PolarHBondContact O-N 3.1Å; E381-L384 PolarHBondContact O-N 3.28Å; L384-L386 VanDerWaalsContact C-N 3.28Å; L384-L386 PolarHBondContact O-N 3.03Å; L384-S387 WeakPolarHBondContact CA-OG 2.93Å; L384-S387 PolarHBondContact O-N 2.9Å; L384-S387 PolarHBondContact O-OG 3.05Å; L384-L388 HydrophobicContact CB-CD1 4.46Å; L384-L388 VanDerWaalsContact O-CB 3.26Å; L384-L388 WeakPolarHBondContact O-CB 3.41Å; L384-L388 VanDerWaalsContact O-CG 3.29Å; L384-L388 WeakPolarHBondContact O-CG 3.49Å; L384-L388 PolarHBondContact O-N 2.75Å
385S94.1Very high86.7Confident75 Ų7578.6 Ų78.652%0.52440%0.397SS..Hα-helixtrans-58.3-4017976.90000112.5E381 E382 W389E381-S385 VanDerWaalsContact O-CB 3.28Å; E381-S385 WeakPolarHBondContact O-CB 3.49Å; E381-S385 PolarHBondContact O-N 2.99Å; E381-S385 PolarHBondContact O-OG 2.92Å; E382-S385 PolarHBondContact O-N 3.06Å; E382-S385 PolarHBondContact O-OG 3.36Å; S385-W389 WeakPolarHBondContact O-CB 3.4Å; S385-W389 PolarHBondContact O-N 3.42Å
386L95Very high88.7Confident9 Ų978.9 Ų78.95%0.04739%0.393CS..Hα-helixtrans-81.9-39.9-177.7-174.163.5000112.3E382 V383 L384 W389 L417 K418 L421 A441 L445E382-L386 WeakPolarHBondContact O-CB 3.4Å; E382-L386 PolarHBondContact O-N 2.99Å; V383-L386 PolarHBondContact O-N 3.25Å; L384-L386 VanDerWaalsContact C-N 3.28Å; L384-L386 PolarHBondContact O-N 3.03Å; L386-W389 PolarHBondContact O-N 3.46Å; L386-L417 HydrophobicContact CD1-CB 3.82Å; L386-L417 HydrophobicContact CD2-CB 4.05Å; L386-L417 HydrophobicContact CD2-CD1 4.3Å; L386-L417 HydrophobicContact CD2-CD2 4.24Å; L386-L417 HydrophobicContact CD2-CG 4.44Å; L386-K418 HydrophobicContact CD1-CG 4.48Å; L386-L421 HydrophobicContact CD1-CD1 3.34Å; L386-L421 HydrophobicContact CD1-CG 4.15Å; L386-L421 HydrophobicContact CG-CD1 3.76Å; L386-L421 HydrophobicContact CG-CG 4.45Å; L386-L421 WeakPolarHBondContact O-CD1 3.45Å; L386-A441 HydrophobicContact CB-CB 4.08Å; L386-A441 HydrophobicContact CD2-CB 3.94Å; L386-A441 HydrophobicContact CG-CB 4.06Å; L386-L445 HydrophobicContact CD2-CD1 4.37Å; L386-L445 HydrophobicContact CD2-CG 4.15Å
387S94.5Very high90.2Very high10 Ų1079.3 Ų79.37%0.0739%0.394CS..Hα-helixtrans-70.8-37.4-17859.70000113V383 L384 W389 R437V383-S387 WeakPolarHBondContact O-CB 3.26Å; V383-S387 PolarHBondContact O-N 3.1Å; V383-S387 PolarHBondContact O-OG 2.84Å; L384-S387 WeakPolarHBondContact CA-OG 2.93Å; L384-S387 PolarHBondContact O-N 2.9Å; L384-S387 PolarHBondContact O-OG 3.05Å; S387-W389 VanDerWaalsContact C-N 3.34Å; S387-R437 PolarHBondContact O-NE 3.4Å
388L94.7Very high91.2Very high141 Ų14170 Ų7074%0.73836%0.361SS*.SBendtrans-81.2-11.9177.8-63.7173.8000113.5L384 E390L384-L388 HydrophobicContact CB-CD1 4.46Å; L384-L388 VanDerWaalsContact O-CB 3.26Å; L384-L388 WeakPolarHBondContact O-CB 3.41Å; L384-L388 VanDerWaalsContact O-CG 3.29Å; L384-L388 WeakPolarHBondContact O-CG 3.49Å; L384-L388 PolarHBondContact O-N 2.75Å; L388-E390 PolarHBondContact O-N 3.37Å
389W95.1Very high91.6Very high51 Ų5172.4 Ų72.419%0.19338%0.38CS..SBendtrans-64.6128.5177.9-17574.6000111.1S385 L386 S387 I391 Q392 K418 L421 I422 R437S385-W389 WeakPolarHBondContact O-CB 3.4Å; S385-W389 PolarHBondContact O-N 3.42Å; L386-W389 PolarHBondContact O-N 3.46Å; S387-W389 VanDerWaalsContact C-N 3.34Å; W389-I391 PolarHBondContact O-N 2.95Å; W389-Q392 HydrophobicContact CH2-CB 4.46Å; W389-Q392 HydrophobicContact CH2-CG 4.23Å; W389-Q392 HydrophobicContact CZ2-CG 4.23Å; W389-K418 HydrophobicContact CD2-CD 4.16Å; W389-K418 HydrophobicContact CD2-CG 3.99Å; W389-K418 HydrophobicContact CE3-CB 4.27Å; W389-K418 HydrophobicContact CE3-CG 4.07Å; W389-K418 HydrophobicContact CH2-CB 4.05Å; W389-K418 HydrophobicContact CH2-CD 4.48Å; W389-K418 HydrophobicContact CH2-CG 4.38Å; W389-K418 HydrophobicContact CZ2-CB 4.38Å; W389-K418 HydrophobicContact CZ2-CD 3.97Å; W389-K418 HydrophobicContact CZ2-CG 4.3Å; W389-K418 HydrophobicContact CZ3-CB 3.98Å; W389-K418 HydrophobicContact CZ3-CG 4.25Å; W389-L421 HydrophobicContact CE3-CD1 4.06Å; W389-I422 HydrophobicContact CH2-CD1 4.02Å; W389-I422 HydrophobicContact CH2-CG1 4.17Å; W389-I422 HydrophobicContact CZ3-CD1 4.41Å; W389-I422 HydrophobicContact CZ3-CG1 4.09Å; W389-R437 PolarHBondContact O-NH2 2.92Å
390E93.8Very high91.7Very high160 Ų16077.2 Ų77.275%0.74839%0.389SS*.  trans-67.7119.4-179.9-173.1179.3-176.900110.6L388 Q392L388-E390 PolarHBondContact O-N 3.37Å; E390-Q392 PolarHBondContact O-N 3.28Å
391I92.7Very high91.8Very high55 Ų5572.5 Ų72.528%0.28237%0.367SS..  trans-74.1113.8-178.9-46.4172000109.3W389 I422 A425 I430W389-I391 PolarHBondContact O-N 2.95Å; I391-I422 HydrophobicContact CG2-CB 4.49Å; I391-I422 HydrophobicContact CG2-CG1 4.05Å; I391-A425 HydrophobicContact CD1-CB 3.85Å; I391-A425 HydrophobicContact CG2-CB 3.73Å; I391-I430 HydrophobicContact CD1-CD1 3.89Å
392Q92.2Very high91.6Very high83 Ų8366 Ų6639%0.38834%0.338SS..  trans-85.4161.9177-58.7178.37.700111.3W389 E390 A396W389-Q392 HydrophobicContact CH2-CB 4.46Å; W389-Q392 HydrophobicContact CH2-CG 4.23Å; W389-Q392 HydrophobicContact CZ2-CG 4.23Å; E390-Q392 PolarHBondContact O-N 3.28Å; Q392-A396 HydrophobicContact CB-CB 4.23Å
393K91.7Very high91.3Very high160 Ų16067.4 Ų67.470%0.69635%0.346SS*.  trans-65.1149.5168-68.4-173.8178.1-177.10110.5E395 A396 F397K393-E395 VanDerWaalsContact C-N 3.27Å; K393-E395 PolarHBondContact O-N 3.42Å; K393-A396 WeakPolarHBondContact O-CB 3.18Å; K393-A396 PolarHBondContact O-N 3.1Å; K393-F397 PolarHBondContact O-N 2.83Å
394P90.5Very high90.7Very high2 Ų269 Ų691%0.01336%0.356CS..Hα-helixtrans-48.2-45.9179.3-29.735.4000114.5A396 F397 C398 F401 T402 I422 D426 F470P394-A396 VanDerWaalsContact C-N 3.28Å; P394-A396 PolarHBondContact O-N 2.91Å; P394-F397 PolarHBondContact O-N 2.88Å; P394-C398 PolarHBondContact O-N 2.92Å; P394-C398 VanDerWaalsContact O-O 3.08Å; P394-F401 HydrophobicContact CB-CD1 3.93Å; P394-T402 HydrophobicContact CB-CG2 3.9Å; P394-I422 HydrophobicContact CB-CG2 4.26Å; P394-I422 HydrophobicContact CG-CG2 3.81Å; P394-D426 HydrophobicContact CG-CB 3.94Å; P394-D426 VanDerWaalsContact CG-CG 3.47Å; P394-F470 HydrophobicContact CG-CZ 4.49Å
395E88.7Confident89.9Confident101 Ų10173.2 Ų73.247%0.47237%0.37SS..Hα-helixtrans-69.2-26.4-177.2-60.472.5-155.600112.7K393 C398K393-E395 VanDerWaalsContact C-N 3.27Å; K393-E395 PolarHBondContact O-N 3.42Å; E395-C398 CarbonylContact O-C 3.38Å
396A91.2Very high89.3Confident69 Ų6971.8 Ų71.857%0.5735%0.354SS*.Hα-helixtrans-76.9-31.7176.400000111.9Q392 K393 P394Q392-A396 HydrophobicContact CB-CB 4.23Å; K393-A396 WeakPolarHBondContact O-CB 3.18Å; K393-A396 PolarHBondContact O-N 3.1Å; P394-A396 VanDerWaalsContact C-N 3.28Å; P394-A396 PolarHBondContact O-N 2.91Å
397F90.4Very high88.3Confident43 Ų4371.9 Ų71.919%0.18936%0.355CS..Hα-helixtrans-74.3-48.6174.7177-104.5000111.8K393 P394 F401 L411 E415 K418 A419 I422K393-F397 PolarHBondContact O-N 2.83Å; P394-F397 PolarHBondContact O-N 2.88Å; F397-F401 HydrophobicContact CD1-CD2 4.02Å; F397-F401 HydrophobicContact CD1-CE2 4.19Å; F397-F401 HydrophobicContact CE1-CD2 4.25Å; F397-F401 HydrophobicContact CE1-CE2 4.12Å; F397-L411 HydrophobicContact CE1-CD1 4.13Å; F397-L411 HydrophobicContact CE1-CD2 4.4Å; F397-L411 HydrophobicContact CZ-CD1 4.37Å; F397-L411 HydrophobicContact CZ-CD2 4.39Å; F397-E415 HydrophobicContact CZ-CB 4.23Å; F397-K418 HydrophobicContact CE2-CB 4.24Å; F397-A419 HydrophobicContact CE1-CB 3.81Å; F397-A419 HydrophobicContact CZ-CB 4.06Å; F397-I422 HydrophobicContact CB-CD1 3.34Å; F397-I422 HydrophobicContact CD1-CD1 3.91Å; F397-I422 HydrophobicContact CD2-CD1 3.7Å; F397-I422 HydrophobicContact CE2-CD1 4.47Å; F397-I422 HydrophobicContact CG-CD1 3.37Å
398C88.3Confident87.5Confident20 Ų2071.4 Ų71.414%0.13535%0.352CS..  trans-150.6123.5171.71740000109.2P394 E395 Y400 F401 Y406P394-C398 PolarHBondContact O-N 2.92Å; P394-C398 VanDerWaalsContact O-O 3.08Å; E395-C398 CarbonylContact O-C 3.38Å; C398-Y400 PolarHBondContact O-N 3.08Å; C398-F401 HydrophobicContact CB-CB 4.08Å; C398-F401 WeakPolarHBondContact O-CB 3.42Å; C398-F401 PolarHBondContact O-N 2.99Å; C398-Y406 VanDerWaalsContact SG-CE2 3.57Å; C398-Y406 VanDerWaalsContact SG-CZ 3.59Å
399P87.2Confident86.8Confident88 Ų8866.3 Ų66.357%0.57132%0.324SS*.THydrogen-bonded Turntrans-56.5-26.5-177-27.634.7000114.1
400Y88Confident86.2Confident145 Ų14570.5 Ų70.557%0.56935%0.35SS*.THydrogen-bonded Turntrans-96.40.3-177.3-53-81.9000112.8C398 T402 M403 Y406C398-Y400 PolarHBondContact O-N 3.08Å; Y400-T402 PolarHBondContact O-N 3.29Å; Y400-M403 HydrophobicContact CD1-SD 3.4Å; Y400-M403 WeakPolarHBondContact CD1-SD 3.26Å; Y400-M403 HydrophobicContact CE1-SD 4.14Å; Y400-M403 HydrophobicContact CG-SD 4.27Å; Y400-M403 WeakPolarHBondContact O-CB 3.49Å; Y400-M403 PolarHBondContact O-N 3.32Å; Y400-Y406 WeakPolarHBondContact O-CB 3.12Å; Y400-Y406 VanDerWaalsContact O-CG 3.26Å
401F90.2Very high86Confident0 Ų063.8 Ų63.80%032%0.319CS..THydrogen-bonded Turntrans-57-29.6-169.1-166.5-103.5000114.5P394 F397 C398 Y406 A419 I423 F463 H467 F470P394-F401 HydrophobicContact CB-CD1 3.93Å; F397-F401 HydrophobicContact CD1-CD2 4.02Å; F397-F401 HydrophobicContact CD1-CE2 4.19Å; F397-F401 HydrophobicContact CE1-CD2 4.25Å; F397-F401 HydrophobicContact CE1-CE2 4.12Å; C398-F401 HydrophobicContact CB-CB 4.08Å; C398-F401 WeakPolarHBondContact O-CB 3.42Å; C398-F401 PolarHBondContact O-N 2.99Å; F401-Y406 AromaticContact CD2-CE1 3.91Å; F401-Y406 HydrophobicContact CD2-CE1 3.91Å; F401-A419 HydrophobicContact CE2-CB 3.87Å; F401-A419 HydrophobicContact CZ-CB 3.89Å; F401-I423 HydrophobicContact CE1-CD1 4.2Å; F401-I423 HydrophobicContact CE1-CG1 3.78Å; F401-I423 HydrophobicContact CZ-CD1 3.91Å; F401-I423 HydrophobicContact CZ-CG1 3.92Å; F401-F463 HydrophobicContact CE2-CZ 4.44Å; F401-F463 HydrophobicContact CZ-CZ 4.35Å; F401-H467 AromaticContact CD2-NE2 3.98Å; F401-H467 AromaticContact CE2-CD2 3.9Å; F401-H467 AromaticContact CE2-NE2 3.89Å; F401-H467 AromaticContact CZ-CD2 3.67Å; F401-H467 AromaticContact CZ-NE2 3.96Å; F401-H467 PolarHBondContact O-CE1 3.1Å; F401-H467 PolarHBondContact O-NE2 3.1Å; F401-F470 AromaticContact CD1-CE1 3.83Å; F401-F470 HydrophobicContact CD1-CE1 3.83Å; F401-F470 HydrophobicContact CE1-CD1 4.16Å; F401-F470 AromaticContact CE1-CE1 3.74Å; F401-F470 HydrophobicContact CE1-CE1 3.74Å; F401-F470 HydrophobicContact CE1-CZ 4.43Å
402T87.7Confident85.9Confident25 Ų2563.8 Ų63.815%0.15332%0.324CS..THydrogen-bonded Turntrans-100.32.1179.258.90000113.1P394 Y400 F470 R475P394-T402 HydrophobicContact CB-CG2 3.9Å; Y400-T402 PolarHBondContact O-N 3.29Å; T402-F470 HydrophobicContact CG2-CE1 3.99Å; T402-F470 HydrophobicContact CG2-CZ 4.16Å; T402-R475 PolarHBondContact O-NH2 2.81Å
403M85.5Confident85.9Confident89 Ų8962 Ų6244%0.43832%0.323SS..SBendtrans-84.1141.3-176.3-64.4-169.968.100112Y400 K405 Y406Y400-M403 HydrophobicContact CD1-SD 3.4Å; Y400-M403 WeakPolarHBondContact CD1-SD 3.26Å; Y400-M403 HydrophobicContact CE1-SD 4.14Å; Y400-M403 HydrophobicContact CG-SD 4.27Å; Y400-M403 WeakPolarHBondContact O-CB 3.49Å; Y400-M403 PolarHBondContact O-N 3.32Å; M403-K405 PolarHBondContact O-N 3.48Å; M403-K405 VanDerWaalsContact O-N 3.13Å; M403-Y406 PolarHBondContact O-N 2.87Å
404V79.4Confident85.9Confident35 Ų3560 Ų6021%0.21232%0.316CS..THydrogen-bonded Turntrans-56.4-31.5-177.81780000112.9R475 N681 F682V404-R475 HydrophobicContact CG2-CG 4.37Å; V404-N681 HydrophobicContact CG1-CB 4.35Å; V404-F682 HydrophobicContact CB-CE1 4.42Å; V404-F682 HydrophobicContact CG1-CD1 3.95Å; V404-F682 HydrophobicContact CG1-CE1 3.39Å; V404-F682 HydrophobicContact CG1-CZ 3.77Å
405K76.6Confident86Confident177 Ų17763.6 Ų63.677%0.7733%0.333SS*.THydrogen-bonded Turntrans-92.5-5.3-177.6-64.6-173.1177.3-177.10114.1M403M403-K405 PolarHBondContact O-N 3.48Å; M403-K405 VanDerWaalsContact O-N 3.13Å
406Y81.2Confident86.3Confident45 Ų4558.8 Ų58.818%0.17631%0.31CS..  trans-84145.6-178179.3-105.6000110.9C398 Y400 F401 M403 A408 H467C398-Y406 VanDerWaalsContact SG-CE2 3.57Å; C398-Y406 VanDerWaalsContact SG-CZ 3.59Å; Y400-Y406 WeakPolarHBondContact O-CB 3.12Å; Y400-Y406 VanDerWaalsContact O-CG 3.26Å; F401-Y406 AromaticContact CD2-CE1 3.91Å; F401-Y406 HydrophobicContact CD2-CE1 3.91Å; M403-Y406 PolarHBondContact O-N 2.87Å; Y406-A408 HydrophobicContact CE1-CB 4.44Å; Y406-H467 AromaticContact CD1-CE1 3.77Å
407T75.2Confident86.6Confident10 Ų1055.7 Ų55.76%0.06128%0.284CS..  trans-136136.2172.9-52.10000109.6Q409 I464 M612 I616T407-Q409 HydrophobicContact CG2-CB 3.87Å; T407-Q409 PolarHBondContact O-N 3.28Å; T407-Q409 VanDerWaalsContact O-N 3.09Å; T407-I464 HydrophobicContact CG2-CD1 4.3Å; T407-I464 HydrophobicContact CG2-CG1 4.25Å; T407-I464 HydrophobicContact CG2-CG2 4.45Å; T407-M612 HydrophobicContact CG2-CE 4.18Å; T407-M612 HydrophobicContact CG2-SD 3.3Å; T407-M612 WeakPolarHBondContact CG2-SD 3.48Å; T407-M612 PolarHBondContact OG1-SD 2.74Å; T407-I616 HydrophobicContact CG2-CD1 3.83Å; T407-I616 HydrophobicContact CG2-CG2 4.02Å; T407-I616 WeakPolarHBondContact OG1-CD1 3.37Å
408A77.9Confident86.8Confident1 Ų157 Ų571%0.00829%0.29CS..G310 helixtrans-77.118.4177.200000115.1Y406 N410 L411 F463Y406-A408 HydrophobicContact CE1-CB 4.44Å; A408-N410 PolarHBondContact O-N 2.96Å; A408-N410 VanDerWaalsContact O-N 3.15Å; A408-L411 HydrophobicContact CB-CD1 3.74Å; A408-L411 HydrophobicContact CB-CG 4.09Å; A408-L411 PolarHBondContact O-N 3.34Å; A408-L411 VanDerWaalsContact O-N 3.15Å; A408-F463 HydrophobicContact CB-CD1 3.68Å; A408-F463 HydrophobicContact CB-CE1 3.32Å; A408-F463 HydrophobicContact CB-CZ 4.49Å
409Q79.1Confident87.2Confident34 Ų3456 Ų5616%0.15928%0.283CS..G310 helixtrans-61.3-28.9-172.5-173.8177.629.200112.7T407 I464T407-Q409 HydrophobicContact CG2-CB 3.87Å; T407-Q409 PolarHBondContact O-N 3.28Å; T407-Q409 VanDerWaalsContact O-N 3.09Å; Q409-I464 HydrophobicContact CB-CD1 4.16Å; Q409-I464 HydrophobicContact CG-CD1 4.39Å
410N82.4Confident87.6Confident139 Ų13951.8 Ų51.874%0.74326%0.256SS*.G310 helixtrans-92.61.3-176.4-61.1-30.3000113.8A408A408-N410 PolarHBondContact O-N 2.96Å; A408-N410 VanDerWaalsContact O-N 3.15Å
411L89.3Confident88Confident19 Ų1944.9 Ų44.910%0.09923%0.229CC..  trans-72.4136.9177.8-63.1-174000110.4F397 A408 E415 I416 A419 F463F397-L411 HydrophobicContact CE1-CD1 4.13Å; F397-L411 HydrophobicContact CE1-CD2 4.4Å; F397-L411 HydrophobicContact CZ-CD1 4.37Å; F397-L411 HydrophobicContact CZ-CD2 4.39Å; A408-L411 HydrophobicContact CB-CD1 3.74Å; A408-L411 HydrophobicContact CB-CG 4.09Å; A408-L411 PolarHBondContact O-N 3.34Å; A408-L411 VanDerWaalsContact O-N 3.15Å; L411-E415 HydrophobicContact CB-CB 4Å; L411-E415 HydrophobicContact CD2-CB 4.18Å; L411-E415 HydrophobicContact CG-CB 4.5Å; L411-I416 HydrophobicContact CB-CD1 4.48Å; L411-I416 HydrophobicContact CB-CG1 3.73Å; L411-I416 HydrophobicContact CD1-CG1 4.42Å; L411-A419 HydrophobicContact CD1-CB 4.12Å; L411-F463 HydrophobicContact CD1-CE1 3.9Å
412S92.2Very high88.2Confident55 Ų5545 Ų4539%0.38523%0.229SC..  trans-66.6162.6168.865.60000111.6H414 E415 I416S412-H414 PolarHBondContact O-N 3Å; S412-H414 VanDerWaalsContact O-N 3.16Å; S412-E415 VanDerWaalsContact CB-OE2 3.27Å; S412-E415 WeakPolarHBondContact CB-OE2 3.5Å; S412-E415 PolarHBondContact N-OE2 3.4Å; S412-E415 PolarHBondContact O-N 3.38Å; S412-E415 WeakPolarHBondContact OG-CB 3.35Å; S412-E415 VanDerWaalsContact OG-CD 3.29Å; S412-E415 VanDerWaalsContact OG-CG 3.27Å; S412-E415 WeakPolarHBondContact OG-CG 3.23Å; S412-E415 PolarHBondContact OG-N 3.35Å; S412-E415 PolarHBondContact OG-OE2 3.35Å; S412-I416 WeakPolarHBondContact O-CG1 3.44Å; S412-I416 PolarHBondContact O-N 2.92Å
413A90.6Very high88.6Confident44 Ų4443.8 Ų43.836%0.36422%0.222SC..Hα-helixtrans-55.6-37.2179.900000112.6L417 Q448A413-L417 PolarHBondContact O-N 3.22Å; A413-Q448 PolarHBondContact O-NE2 3.44Å
414H91.9Very high89.1Confident119 Ų11939.5 Ų39.555%0.55120%0.201SC*.Hα-helixtrans-73.1-37.2175.8-71.1-67.3000113.3S412 I416 L417 K418S412-H414 PolarHBondContact O-N 3Å; S412-H414 VanDerWaalsContact O-N 3.16Å; H414-I416 VanDerWaalsContact C-N 3.32Å; H414-L417 PolarHBondContact O-N 2.87Å; H414-K418 PolarHBondContact O-N 3.46Å
415E93.6Very high89.9Confident78 Ų7839.8 Ų39.836%0.36421%0.207SC..Hα-helixtrans-67-35.2175.2-74.2166.1136.300111.7F397 L411 S412 L417 K418 A419F397-E415 HydrophobicContact CZ-CB 4.23Å; L411-E415 HydrophobicContact CB-CB 4Å; L411-E415 HydrophobicContact CD2-CB 4.18Å; L411-E415 HydrophobicContact CG-CB 4.5Å; S412-E415 VanDerWaalsContact CB-OE2 3.27Å; S412-E415 WeakPolarHBondContact CB-OE2 3.5Å; S412-E415 PolarHBondContact N-OE2 3.4Å; S412-E415 PolarHBondContact O-N 3.38Å; S412-E415 WeakPolarHBondContact OG-CB 3.35Å; S412-E415 VanDerWaalsContact OG-CD 3.29Å; S412-E415 VanDerWaalsContact OG-CG 3.27Å; S412-E415 WeakPolarHBondContact OG-CG 3.23Å; S412-E415 PolarHBondContact OG-N 3.35Å; S412-E415 PolarHBondContact OG-OE2 3.35Å; E415-L417 VanDerWaalsContact C-N 3.35Å; E415-L417 PolarHBondContact O-N 3Å; E415-K418 PolarHBondContact O-N 3.41Å; E415-A419 VanDerWaalsContact O-CB 3.29Å; E415-A419 WeakPolarHBondContact O-CB 3.14Å; E415-A419 PolarHBondContact O-N 2.92Å
416I95.2Very high90.7Very high0 Ų034.1 Ų34.10%019%0.185CC..Hα-helixtrans-61.1-43.7173.2-70.4172.3000111.2L411 S412 H414 K418 A419 C420 W459 N460 F463L411-I416 HydrophobicContact CB-CD1 4.48Å; L411-I416 HydrophobicContact CB-CG1 3.73Å; L411-I416 HydrophobicContact CD1-CG1 4.42Å; S412-I416 WeakPolarHBondContact O-CG1 3.44Å; S412-I416 PolarHBondContact O-N 2.92Å; H414-I416 VanDerWaalsContact C-N 3.32Å; I416-K418 VanDerWaalsContact C-N 3.35Å; I416-K418 PolarHBondContact O-N 2.9Å; I416-A419 PolarHBondContact O-N 2.87Å; I416-C420 PolarHBondContact O-N 2.82Å; I416-C420 PolarHBondContact O-SG 2.83Å; I416-W459 HydrophobicContact CG2-CZ2 3.82Å; I416-N460 HydrophobicContact CD1-CB 4.38Å; I416-N460 WeakPolarHBondContact CD1-OD1 3.18Å; I416-F463 HydrophobicContact CB-CD1 4.36Å; I416-F463 HydrophobicContact CB-CG 4.33Å; I416-F463 HydrophobicContact CD1-CB 4.33Å; I416-F463 HydrophobicContact CD1-CD1 4.32Å; I416-F463 HydrophobicContact CG1-CD1 3.82Å; I416-F463 HydrophobicContact CG1-CE1 4.33Å; I416-F463 HydrophobicContact CG1-CG 4.18Å; I416-F463 HydrophobicContact CG2-CB 3.63Å; I416-F463 HydrophobicContact CG2-CD1 3.91Å; I416-F463 HydrophobicContact CG2-CD2 3.59Å; I416-F463 HydrophobicContact CG2-CE1 4.49Å; I416-F463 HydrophobicContact CG2-CE2 4.23Å; I416-F463 HydrophobicContact CG2-CG 3.4Å; I416-F463 VanDerWaalsContact CG2-CG 3.4Å
417L96Very high91.2Very high3 Ų334 Ų342%0.01619%0.189CC..Hα-helixtrans-59.9-45.5176.1-69.4168.3000111.3L386 A413 H414 E415 C420 L421 L444 L445 Q448 W459L386-L417 HydrophobicContact CD1-CB 3.82Å; L386-L417 HydrophobicContact CD2-CB 4.05Å; L386-L417 HydrophobicContact CD2-CD1 4.3Å; L386-L417 HydrophobicContact CD2-CD2 4.24Å; L386-L417 HydrophobicContact CD2-CG 4.44Å; A413-L417 PolarHBondContact O-N 3.22Å; H414-L417 PolarHBondContact O-N 2.87Å; E415-L417 VanDerWaalsContact C-N 3.35Å; E415-L417 PolarHBondContact O-N 3Å; L417-C420 WeakPolarHBondContact O-CB 3.34Å; L417-C420 PolarHBondContact O-N 3.36Å; L417-L421 WeakPolarHBondContact O-CG 3.32Å; L417-L421 PolarHBondContact O-N 3.25Å; L417-L421 VanDerWaalsContact O-N 3.08Å; L417-L444 HydrophobicContact CD2-CB 3.8Å; L417-L445 HydrophobicContact CD1-CD2 3.71Å; L417-L445 HydrophobicContact CD2-CD2 4.48Å; L417-Q448 HydrophobicContact CD2-CB 4.35Å; L417-W459 HydrophobicContact CD2-CZ2 4.22Å
418K95.5Very high92.1Very high70 Ų7034.3 Ų34.330%0.30419%0.194SC..Hα-helixtrans-61.4-44.2175.2-69174.9179.1175.60111.7L386 W389 F397 H414 E415 I416 C420 L421 I422L386-K418 HydrophobicContact CD1-CG 4.48Å; W389-K418 HydrophobicContact CD2-CD 4.16Å; W389-K418 HydrophobicContact CD2-CG 3.99Å; W389-K418 HydrophobicContact CE3-CB 4.27Å; W389-K418 HydrophobicContact CE3-CG 4.07Å; W389-K418 HydrophobicContact CH2-CB 4.05Å; W389-K418 HydrophobicContact CH2-CD 4.48Å; W389-K418 HydrophobicContact CH2-CG 4.38Å; W389-K418 HydrophobicContact CZ2-CB 4.38Å; W389-K418 HydrophobicContact CZ2-CD 3.97Å; W389-K418 HydrophobicContact CZ2-CG 4.3Å; W389-K418 HydrophobicContact CZ3-CB 3.98Å; W389-K418 HydrophobicContact CZ3-CG 4.25Å; F397-K418 HydrophobicContact CE2-CB 4.24Å; H414-K418 PolarHBondContact O-N 3.46Å; E415-K418 PolarHBondContact O-N 3.41Å; I416-K418 VanDerWaalsContact C-N 3.35Å; I416-K418 PolarHBondContact O-N 2.9Å; K418-C420 VanDerWaalsContact C-N 3.31Å; K418-C420 PolarHBondContact O-N 3.4Å; K418-L421 WeakPolarHBondContact O-CB 3.38Å; K418-L421 PolarHBondContact O-N 3.49Å; K418-L421 VanDerWaalsContact O-N 3.11Å; K418-I422 WeakPolarHBondContact O-CG1 3.32Å; K418-I422 PolarHBondContact O-N 2.84Å
419A95.6Very high92.8Very high0 Ų034.5 Ų34.50%019%0.194CC..Hα-helixtrans-62.3-38.2177.500000112F397 F401 L411 E415 I416 I422 I423 F463F397-A419 HydrophobicContact CE1-CB 3.81Å; F397-A419 HydrophobicContact CZ-CB 4.06Å; F401-A419 HydrophobicContact CE2-CB 3.87Å; F401-A419 HydrophobicContact CZ-CB 3.89Å; L411-A419 HydrophobicContact CD1-CB 4.12Å; E415-A419 VanDerWaalsContact O-CB 3.29Å; E415-A419 WeakPolarHBondContact O-CB 3.14Å; E415-A419 PolarHBondContact O-N 2.92Å; I416-A419 PolarHBondContact O-N 2.87Å; A419-I422 PolarHBondContact O-N 3.35Å; A419-I423 WeakPolarHBondContact O-CG1 3.44Å; A419-I423 PolarHBondContact O-N 3.45Å; A419-F463 HydrophobicContact CB-CE1 4.14Å; A419-F463 HydrophobicContact CB-CE2 4.11Å; A419-F463 HydrophobicContact CB-CZ 3.44Å; A419-F463 VanDerWaalsContact CB-CZ 3.44Å
420C96.4Very high93.6Very high0 Ų034.5 Ų34.50%020%0.195CC..Hα-helixtrans-59.8-48.3170.8-67.30000111I416 L417 K418 I422 I423 F424 L444 F463I416-C420 PolarHBondContact O-N 2.82Å; I416-C420 PolarHBondContact O-SG 2.83Å; L417-C420 WeakPolarHBondContact O-CB 3.34Å; L417-C420 PolarHBondContact O-N 3.36Å; K418-C420 VanDerWaalsContact C-N 3.31Å; K418-C420 PolarHBondContact O-N 3.4Å; C420-I422 VanDerWaalsContact C-N 3.26Å; C420-I422 PolarHBondContact O-N 3.38Å; C420-I423 PolarHBondContact O-N 2.93Å; C420-I423 VanDerWaalsContact O-N 3.13Å; C420-F424 VanDerWaalsContact O-CD2 3.28Å; C420-F424 WeakPolarHBondContact O-CD2 3.36Å; C420-F424 PolarHBondContact O-N 3.03Å; C420-L444 HydrophobicContact CB-CD1 3.76Å; C420-L444 HydrophobicContact CB-CD2 3.79Å; C420-L444 HydrophobicContact CB-CG 4.42Å; C420-F463 VanDerWaalsContact SG-CD2 3.52Å; C420-F463 VanDerWaalsContact SG-CE2 3.51Å
421L96.1Very high94.1Very high0 Ų032 Ų320%019%0.189CC..Hα-helixtrans-58-40177.5-62.9172.4000112.5L386 W389 L417 K418 A425 L440 L444L386-L421 HydrophobicContact CD1-CD1 3.34Å; L386-L421 HydrophobicContact CD1-CG 4.15Å; L386-L421 HydrophobicContact CG-CD1 3.76Å; L386-L421 HydrophobicContact CG-CG 4.45Å; L386-L421 WeakPolarHBondContact O-CD1 3.45Å; W389-L421 HydrophobicContact CE3-CD1 4.06Å; L417-L421 WeakPolarHBondContact O-CG 3.32Å; L417-L421 PolarHBondContact O-N 3.25Å; L417-L421 VanDerWaalsContact O-N 3.08Å; K418-L421 WeakPolarHBondContact O-CB 3.38Å; K418-L421 PolarHBondContact O-N 3.49Å; K418-L421 VanDerWaalsContact O-N 3.11Å; L421-A425 WeakPolarHBondContact O-CB 3.22Å; L421-A425 PolarHBondContact O-N 2.87Å; L421-L440 HydrophobicContact CD2-CD2 3.72Å; L421-L440 HydrophobicContact CD2-CG 3.89Å; L421-L444 HydrophobicContact CD2-CD1 3.59Å; L421-L444 HydrophobicContact CG-CD1 4.07Å
422I95.8Very high94.2Very high1 Ų133 Ų331%0.00520%0.197CC..Hα-helixtrans-62.1-48.7175.7-65.8169.9000110.1W389 I391 P394 F397 K418 A419 C420 F424 A425 D426W389-I422 HydrophobicContact CH2-CD1 4.02Å; W389-I422 HydrophobicContact CH2-CG1 4.17Å; W389-I422 HydrophobicContact CZ3-CD1 4.41Å; W389-I422 HydrophobicContact CZ3-CG1 4.09Å; I391-I422 HydrophobicContact CG2-CB 4.49Å; I391-I422 HydrophobicContact CG2-CG1 4.05Å; P394-I422 HydrophobicContact CB-CG2 4.26Å; P394-I422 HydrophobicContact CG-CG2 3.81Å; F397-I422 HydrophobicContact CB-CD1 3.34Å; F397-I422 HydrophobicContact CD1-CD1 3.91Å; F397-I422 HydrophobicContact CD2-CD1 3.7Å; F397-I422 HydrophobicContact CE2-CD1 4.47Å; F397-I422 HydrophobicContact CG-CD1 3.37Å; K418-I422 WeakPolarHBondContact O-CG1 3.32Å; K418-I422 PolarHBondContact O-N 2.84Å; A419-I422 PolarHBondContact O-N 3.35Å; C420-I422 VanDerWaalsContact C-N 3.26Å; C420-I422 PolarHBondContact O-N 3.38Å; I422-F424 PolarHBondContact O-N 3.42Å; I422-A425 PolarHBondContact O-N 3.45Å; I422-D426 WeakPolarHBondContact O-CB 3.1Å; I422-D426 PolarHBondContact O-N 3.49Å
423I95.6Very high94.1Very high0 Ų030.6 Ų30.60%018%0.18CC..Hα-helixtrans-59.9-47.8178.8-67.6166.4000110.8F401 A419 C420 A425 D426 V427 F463 F470 F492F401-I423 HydrophobicContact CE1-CD1 4.2Å; F401-I423 HydrophobicContact CE1-CG1 3.78Å; F401-I423 HydrophobicContact CZ-CD1 3.91Å; F401-I423 HydrophobicContact CZ-CG1 3.92Å; A419-I423 WeakPolarHBondContact O-CG1 3.44Å; A419-I423 PolarHBondContact O-N 3.45Å; C420-I423 PolarHBondContact O-N 2.93Å; C420-I423 VanDerWaalsContact O-N 3.13Å; I423-A425 PolarHBondContact O-N 3.42Å; I423-D426 PolarHBondContact O-N 3.48Å; I423-V427 HydrophobicContact CG2-CG2 4.13Å; I423-V427 WeakPolarHBondContact O-CG2 3.42Å; I423-V427 PolarHBondContact O-N 2.83Å; I423-F463 HydrophobicContact CD1-CE2 3.92Å; I423-F463 HydrophobicContact CD1-CZ 4.11Å; I423-F470 HydrophobicContact CB-CD2 4.38Å; I423-F470 HydrophobicContact CD1-CB 4.24Å; I423-F470 HydrophobicContact CD1-CD1 4.43Å; I423-F470 HydrophobicContact CD1-CG 4.3Å; I423-F470 HydrophobicContact CG1-CB 4.35Å; I423-F470 HydrophobicContact CG1-CD1 4.12Å; I423-F470 HydrophobicContact CG1-CD2 4.15Å; I423-F470 HydrophobicContact CG1-CE1 4.44Å; I423-F470 HydrophobicContact CG1-CE2 4.46Å; I423-F470 HydrophobicContact CG1-CG 3.94Å; I423-F470 HydrophobicContact CG2-CB 4.02Å; I423-F470 HydrophobicContact CG2-CD2 3.69Å; I423-F470 HydrophobicContact CG2-CE2 4.38Å; I423-F470 HydrophobicContact CG2-CG 3.99Å; I423-F492 HydrophobicContact CB-CZ 4.32Å; I423-F492 HydrophobicContact CD1-CE2 4.42Å; I423-F492 HydrophobicContact CD1-CZ 4.31Å; I423-F492 HydrophobicContact CG2-CD2 4.36Å; I423-F492 HydrophobicContact CG2-CE1 4.48Å; I423-F492 HydrophobicContact CG2-CE2 3.52Å; I423-F492 HydrophobicContact CG2-CZ 3.59Å
424F95.7Very high94.2Very high0 Ų035.8 Ų35.80%020%0.195CC..Hα-helixtrans-58.9-36.7178.3-91.8-98.8000112.4C420 I422 F429 I430 I435 L440 F443 L444 F492 I543C420-F424 VanDerWaalsContact O-CD2 3.28Å; C420-F424 WeakPolarHBondContact O-CD2 3.36Å; C420-F424 PolarHBondContact O-N 3.03Å; I422-F424 PolarHBondContact O-N 3.42Å; F424-F429 HydrophobicContact CD1-CB 3.79Å; F424-F429 HydrophobicContact CD1-CD2 4.06Å; F424-F429 HydrophobicContact CD1-CG 4.47Å; F424-F429 HydrophobicContact CE1-CB 4.45Å; F424-F429 HydrophobicContact CE1-CD2 4.31Å; F424-F429 HydrophobicContact CG-CB 4.45Å; F424-F429 HydrophobicContact CG-CD2 4.37Å; F424-F429 WeakPolarHBondContact O-CB 3.48Å; F424-F429 PolarHBondContact O-N 2.61Å; F424-I430 HydrophobicContact CB-CD1 4.28Å; F424-I430 HydrophobicContact CB-CG1 3.96Å; F424-I430 PolarHBondContact O-N 3.08Å; F424-I435 HydrophobicContact CD1-CD1 4.41Å; F424-I435 HydrophobicContact CE1-CD1 4.47Å; F424-L440 HydrophobicContact CB-CD2 4.08Å; F424-L440 HydrophobicContact CD1-CD1 3.77Å; F424-L440 HydrophobicContact CD1-CD2 4.28Å; F424-L440 HydrophobicContact CD2-CD1 4.37Å; F424-L440 HydrophobicContact CE1-CD1 3.75Å; F424-L440 HydrophobicContact CE2-CD1 4.31Å; F424-L440 HydrophobicContact CG-CD1 4.1Å; F424-L440 HydrophobicContact CG-CD2 4.21Å; F424-L440 HydrophobicContact CZ-CD1 4.02Å; F424-F443 HydrophobicContact CZ-CE1 4.31Å; F424-L444 HydrophobicContact CE2-CD2 4.05Å; F424-F492 HydrophobicContact CD2-CE1 4.1Å; F424-F492 HydrophobicContact CE2-CD1 4.16Å; F424-F492 AromaticContact CE2-CE1 3.56Å; F424-F492 HydrophobicContact CE2-CE1 3.56Å; F424-F492 HydrophobicContact CZ-CD1 4.36Å; F424-F492 HydrophobicContact CZ-CE1 4.19Å; F424-I543 HydrophobicContact CE1-CD1 4.39Å
425A95.2Very high94.2Very high40 Ų4030.9 Ų30.933%0.33117%0.172SC..Hα-helixtrans-76.2-46177.400000112.5I391 L421 I422 I423 G428 I430I391-A425 HydrophobicContact CD1-CB 3.85Å; I391-A425 HydrophobicContact CG2-CB 3.73Å; L421-A425 WeakPolarHBondContact O-CB 3.22Å; L421-A425 PolarHBondContact O-N 2.87Å; I422-A425 PolarHBondContact O-N 3.45Å; I423-A425 PolarHBondContact O-N 3.42Å; A425-G428 PolarHBondContact O-N 3.33Å; A425-G428 VanDerWaalsContact O-N 3.08Å; A425-I430 HydrophobicContact CB-CD1 3.85Å
426D93.8Very high94.3Very high59 Ų5932.1 Ų32.132%0.31618%0.178SC..Hα-helixtrans-71.6-31.5-173-177.472.9000113.2P394 I422 I423 G428 F470 K474P394-D426 HydrophobicContact CG-CB 3.94Å; P394-D426 VanDerWaalsContact CG-CG 3.47Å; I422-D426 WeakPolarHBondContact O-CB 3.1Å; I422-D426 PolarHBondContact O-N 3.49Å; I423-D426 PolarHBondContact O-N 3.48Å; D426-G428 VanDerWaalsContact C-N 3.32Å; D426-F470 WeakPolarHBondContact OD2-CE2 3.48Å; D426-F470 WeakPolarHBondContact OD2-CZ 3.25Å; D426-K474 IonicContact OD1-NZ 3.75Å; D426-K474 WeakPolarHBondContact OD2-CE 3.49Å; D426-K474 IonicContact OD2-NZ 3.9Å; D426-K474 PolarHBondContact OD2-NZ 2.81Å
427V92.6Very high94.2Very high43 Ų4334.9 Ų34.926%0.26119%0.188SC..THydrogen-bonded Turntrans-80.2-16.7171-171.50000111.6I423 F429 F470 M473I423-V427 HydrophobicContact CG2-CG2 4.13Å; I423-V427 WeakPolarHBondContact O-CG2 3.42Å; I423-V427 PolarHBondContact O-N 2.83Å; V427-F429 HydrophobicContact CB-CD1 4.07Å; V427-F429 HydrophobicContact CB-CE1 3.97Å; V427-F429 HydrophobicContact CB-CE2 4.48Å; V427-F429 HydrophobicContact CB-CG 4.41Å; V427-F429 HydrophobicContact CB-CZ 4.19Å; V427-F429 HydrophobicContact CG1-CD1 3.72Å; V427-F429 HydrophobicContact CG1-CE1 3.22Å; V427-F429 HydrophobicContact CG1-CE2 4.35Å; V427-F429 HydrophobicContact CG1-CG 4.49Å; V427-F429 HydrophobicContact CG1-CZ 3.59Å; V427-F470 HydrophobicContact CG2-CD2 3.51Å; V427-F470 HydrophobicContact CG2-CE2 3.7Å; V427-M473 HydrophobicContact CG1-SD 4.21Å; V427-M473 HydrophobicContact CG2-CE 4.43Å
428G92.9Very high94.1Very high16 Ų1636.9 Ų36.917%0.16520%0.201CC..THydrogen-bonded Turntrans8911.2-179.700000115A425 D426 I430 S431 S432A425-G428 PolarHBondContact O-N 3.33Å; A425-G428 VanDerWaalsContact O-N 3.08Å; D426-G428 VanDerWaalsContact C-N 3.32Å; G428-I430 VanDerWaalsContact C-N 3.29Å; G428-I430 PolarHBondContact O-N 3Å; G428-S431 PolarHBondContact O-N 3Å; G428-S431 PolarHBondContact O-OG 3.31Å; G428-S432 PolarHBondContact O-N 2.99Å; G428-S432 PolarHBondContact O-OG 3.08Å
429F94.4Very high94Very high5 Ų534.3 Ų34.32%0.02219%0.191CC..Hα-helixtrans-60.5-36.5179.2-64.5-12.5000113.1F424 V427 S431 S432 L433 M473 L488 I489 F492F424-F429 HydrophobicContact CD1-CB 3.79Å; F424-F429 HydrophobicContact CD1-CD2 4.06Å; F424-F429 HydrophobicContact CD1-CG 4.47Å; F424-F429 HydrophobicContact CE1-CB 4.45Å; F424-F429 HydrophobicContact CE1-CD2 4.31Å; F424-F429 HydrophobicContact CG-CB 4.45Å; F424-F429 HydrophobicContact CG-CD2 4.37Å; F424-F429 WeakPolarHBondContact O-CB 3.48Å; F424-F429 PolarHBondContact O-N 2.61Å; V427-F429 HydrophobicContact CB-CD1 4.07Å; V427-F429 HydrophobicContact CB-CE1 3.97Å; V427-F429 HydrophobicContact CB-CE2 4.48Å; V427-F429 HydrophobicContact CB-CG 4.41Å; V427-F429 HydrophobicContact CB-CZ 4.19Å; V427-F429 HydrophobicContact CG1-CD1 3.72Å; V427-F429 HydrophobicContact CG1-CE1 3.22Å; V427-F429 HydrophobicContact CG1-CE2 4.35Å; V427-F429 HydrophobicContact CG1-CG 4.49Å; V427-F429 HydrophobicContact CG1-CZ 3.59Å; F429-S431 VanDerWaalsContact C-N 3.3Å; F429-S431 PolarHBondContact O-N 3.25Å; F429-S432 PolarHBondContact O-N 3.08Å; F429-L433 WeakPolarHBondContact O-CB 3.04Å; F429-L433 PolarHBondContact O-N 3Å; F429-M473 HydrophobicContact CZ-CE 4.24Å; F429-M473 HydrophobicContact CZ-SD 4.24Å; F429-L488 HydrophobicContact CE1-CB 4.4Å; F429-L488 HydrophobicContact CZ-CB 4.49Å; F429-I489 HydrophobicContact CB-CG1 4.18Å; F429-I489 HydrophobicContact CD1-CB 4.47Å; F429-I489 HydrophobicContact CD1-CD1 3.91Å; F429-I489 HydrophobicContact CD1-CG1 3.2Å; F429-I489 HydrophobicContact CD2-CG1 4.07Å; F429-I489 HydrophobicContact CE1-CB 4.33Å; F429-I489 HydrophobicContact CE1-CD1 4.38Å; F429-I489 HydrophobicContact CE1-CG1 3.35Å; F429-I489 HydrophobicContact CE2-CG1 4.22Å; F429-I489 HydrophobicContact CG-CD1 4.34Å; F429-I489 HydrophobicContact CG-CG1 3.57Å; F429-I489 HydrophobicContact CZ-CB 4.44Å; F429-I489 HydrophobicContact CZ-CG1 3.87Å; F429-F492 HydrophobicContact CE2-CB 3.75Å; F429-F492 HydrophobicContact CE2-CD1 4.02Å; F429-F492 HydrophobicContact CE2-CD2 4.4Å; F429-F492 AromaticContact CE2-CG 3.78Å; F429-F492 HydrophobicContact CE2-CG 3.78Å; F429-F492 HydrophobicContact CZ-CB 4.17Å
430I94.4Very high94Very high33 Ų3334.3 Ų34.317%0.16919%0.191CC..Hα-helixtrans-58.9-44.6177.4-59.8179.9000110.6I391 F424 A425 G428 K434 I435 L440I391-I430 HydrophobicContact CD1-CD1 3.89Å; F424-I430 HydrophobicContact CB-CD1 4.28Å; F424-I430 HydrophobicContact CB-CG1 3.96Å; F424-I430 PolarHBondContact O-N 3.08Å; A425-I430 HydrophobicContact CB-CD1 3.85Å; G428-I430 VanDerWaalsContact C-N 3.29Å; G428-I430 PolarHBondContact O-N 3Å; I430-K434 WeakPolarHBondContact O-CA 3.46Å; I430-K434 PolarHBondContact O-N 3.38Å; I430-I435 PolarHBondContact O-N 2.98Å; I430-I435 VanDerWaalsContact O-N 3.1Å; I430-L440 HydrophobicContact CD1-CD2 3.92Å; I430-L440 HydrophobicContact CG1-CD2 3.96Å
431S93.3Very high94Very high87 Ų8734.3 Ų34.361%0.60819%0.191SC*.Hα-helixtrans-72.3-45.5178.337.30000112.4G428 F429 L433 K434G428-S431 PolarHBondContact O-N 3Å; G428-S431 PolarHBondContact O-OG 3.31Å; F429-S431 VanDerWaalsContact C-N 3.3Å; F429-S431 PolarHBondContact O-N 3.25Å; S431-L433 VanDerWaalsContact C-N 3.31Å; S431-L433 PolarHBondContact O-N 2.94Å; S431-K434 PolarHBondContact O-N 3.01Å
432S90.7Very high93.9Very high41 Ų4136.1 Ų36.129%0.28720%0.198SC..Hα-helixtrans-64.1-36.6-177-59.60000112G428 F429 D485G428-S432 PolarHBondContact O-N 2.99Å; G428-S432 PolarHBondContact O-OG 3.08Å; F429-S432 PolarHBondContact O-N 3.08Å; S432-D485 PolarHBondContact OG-OD2 3.32Å
433L91Very high93.8Very high4 Ų436 Ų362%0.02120%0.197CC..Hα-helixtrans-92.3-6.8177.8-68-179000114.5F429 S431 I435 I489 L544 M547F429-L433 WeakPolarHBondContact O-CB 3.04Å; F429-L433 PolarHBondContact O-N 3Å; S431-L433 VanDerWaalsContact C-N 3.31Å; S431-L433 PolarHBondContact O-N 2.94Å; L433-I435 VanDerWaalsContact C-N 3.29Å; L433-I435 HydrophobicContact CB-CD1 3.65Å; L433-I435 HydrophobicContact CB-CG1 3.42Å; L433-I435 VanDerWaalsContact CB-CG1 3.42Å; L433-I435 HydrophobicContact CD1-CD1 3.54Å; L433-I435 HydrophobicContact CD1-CG1 4.11Å; L433-I435 HydrophobicContact CG-CD1 4.21Å; L433-I435 HydrophobicContact CG-CG1 4.43Å; L433-I435 PolarHBondContact O-N 3.35Å; L433-I489 HydrophobicContact CD1-CD1 4.15Å; L433-I489 HydrophobicContact CD1-CG2 3.79Å; L433-I489 HydrophobicContact CD2-CD1 3.94Å; L433-I489 HydrophobicContact CG-CD1 3.72Å; L433-I489 HydrophobicContact CG-CG2 4.47Å; L433-L544 HydrophobicContact CD1-CD2 4.1Å; L433-L544 HydrophobicContact CD2-CD2 3.92Å; L433-M547 HydrophobicContact CD2-CE 4.12Å; L433-M547 HydrophobicContact CD2-CG 3.66Å; L433-M547 HydrophobicContact CD2-SD 3.81Å
434K92.3Very high93.8Very high153 Ų15336 Ų3667%0.66520%0.197SC*.THydrogen-bonded Turntrans52.244.3-173.8-56.2177.6-177.9175.30112.8I430 S431 K546I430-K434 WeakPolarHBondContact O-CA 3.46Å; I430-K434 PolarHBondContact O-N 3.38Å; S431-K434 PolarHBondContact O-N 3.01Å; K434-K546 HydrophobicContact CB-CB 4.31Å
435I93Very high93.7Very high16 Ų1636.2 Ų36.28%0.08220%0.198CC..  trans-79.1131.5-173.9-53.7158.5000110.5F424 I430 L433 T439 L440 I543F424-I435 HydrophobicContact CD1-CD1 4.41Å; F424-I435 HydrophobicContact CE1-CD1 4.47Å; I430-I435 PolarHBondContact O-N 2.98Å; I430-I435 VanDerWaalsContact O-N 3.1Å; L433-I435 VanDerWaalsContact C-N 3.29Å; L433-I435 HydrophobicContact CB-CD1 3.65Å; L433-I435 HydrophobicContact CB-CG1 3.42Å; L433-I435 VanDerWaalsContact CB-CG1 3.42Å; L433-I435 HydrophobicContact CD1-CD1 3.54Å; L433-I435 HydrophobicContact CD1-CG1 4.11Å; L433-I435 HydrophobicContact CG-CD1 4.21Å; L433-I435 HydrophobicContact CG-CG1 4.43Å; L433-I435 PolarHBondContact O-N 3.35Å; I435-T439 HydrophobicContact CG2-CG2 4.47Å; I435-L440 HydrophobicContact CG2-CB 3.77Å; I435-I543 HydrophobicContact CD1-CB 4.04Å; I435-I543 HydrophobicContact CD1-CG2 4.44Å; I435-I543 HydrophobicContact CG1-CB 4.14Å; I435-I543 HydrophobicContact CG2-CB 4.3Å; I435-I543 HydrophobicContact CG2-CG2 4.01Å
436E94.1Very high93.5Very high104 Ų10434.5 Ų34.549%0.48618%0.184SC..  trans-70.4136.9168.2-66176.7-160.200110.7T438 T439 L440 K546E436-T438 PolarHBondContact O-N 3.01Å; E436-T438 VanDerWaalsContact O-N 3.12Å; E436-T439 WeakPolarHBondContact O-CB 3.49Å; E436-T439 PolarHBondContact O-N 3.12Å; E436-L440 PolarHBondContact O-N 3.17Å; E436-K546 IonicContact OE1-NZ 2.7Å
437R94.5Very high93.5Very high57 Ų5731.7 Ų31.722%0.21517%0.169CC..Hα-helixtrans-54.2-36.2-177.6-70.1-68.9-62.1159.9-1.2113.2S387 W389 A441S387-R437 PolarHBondContact O-NE 3.4Å; W389-R437 PolarHBondContact O-NH2 2.92Å; R437-A441 WeakPolarHBondContact O-CB 3.37Å; R437-A441 PolarHBondContact O-N 2.92Å
438T93.9Very high93.5Very high46 Ų4631.1 Ų31.128%0.28216%0.164SC..Hα-helixtrans-67.2-44.317748.10000111.9E436 A441 R442E436-T438 PolarHBondContact O-N 3.01Å; E436-T438 VanDerWaalsContact O-N 3.12Å; T438-A441 PolarHBondContact O-N 3.34Å; T438-R442 WeakPolarHBondContact O-CG 3.46Å; T438-R442 PolarHBondContact O-N 3.15Å
439T94Very high93.3Very high16 Ų1633.8 Ų33.810%0.09817%0.171CC..Hα-helixtrans-63.2-43.6175-54.60000111.4I435 E436 R442 F443 E540 I543I435-T439 HydrophobicContact CG2-CG2 4.47Å; E436-T439 WeakPolarHBondContact O-CB 3.49Å; E436-T439 PolarHBondContact O-N 3.12Å; T439-R442 PolarHBondContact O-N 3.44Å; T439-F443 WeakPolarHBondContact O-CB 3.29Å; T439-F443 PolarHBondContact O-N 2.92Å; T439-E540 WeakPolarHBondContact CA-O 3.4Å; T439-E540 WeakPolarHBondContact CG2-O 3.46Å; T439-I543 HydrophobicContact CG2-CG2 4.25Å
440L95.6Very high93Very high0 Ų033.9 Ų33.90%017%0.172CC..Hα-helixtrans-63.1-43.8176.2-178.357.8000111.8L421 F424 I430 I435 E436 F443 L444 I543L421-L440 HydrophobicContact CD2-CD2 3.72Å; L421-L440 HydrophobicContact CD2-CG 3.89Å; F424-L440 HydrophobicContact CB-CD2 4.08Å; F424-L440 HydrophobicContact CD1-CD1 3.77Å; F424-L440 HydrophobicContact CD1-CD2 4.28Å; F424-L440 HydrophobicContact CD2-CD1 4.37Å; F424-L440 HydrophobicContact CE1-CD1 3.75Å; F424-L440 HydrophobicContact CE2-CD1 4.31Å; F424-L440 HydrophobicContact CG-CD1 4.1Å; F424-L440 HydrophobicContact CG-CD2 4.21Å; F424-L440 HydrophobicContact CZ-CD1 4.02Å; I430-L440 HydrophobicContact CD1-CD2 3.92Å; I430-L440 HydrophobicContact CG1-CD2 3.96Å; I435-L440 HydrophobicContact CG2-CB 3.77Å; E436-L440 PolarHBondContact O-N 3.17Å; L440-F443 HydrophobicContact CD1-CD1 4.39Å; L440-F443 PolarHBondContact O-N 3.3Å; L440-L444 HydrophobicContact CD1-CD1 4.2Å; L440-L444 HydrophobicContact CD1-CG 4.15Å; L440-L444 HydrophobicContact CG-CD1 4.16Å; L440-L444 WeakPolarHBondContact O-CG 3.45Å; L440-L444 PolarHBondContact O-N 2.9Å; L440-I543 HydrophobicContact CD1-CG2 4.4Å
441A95.4Very high92.7Very high0 Ų033 Ų330%017%0.167CC..Hα-helixtrans-60.7-46.9177.200000111.6V383 L386 R437 T438 F443 L444 L445V383-A441 HydrophobicContact CG1-CB 4.21Å; L386-A441 HydrophobicContact CB-CB 4.08Å; L386-A441 HydrophobicContact CD2-CB 3.94Å; L386-A441 HydrophobicContact CG-CB 4.06Å; R437-A441 WeakPolarHBondContact O-CB 3.37Å; R437-A441 PolarHBondContact O-N 2.92Å; T438-A441 PolarHBondContact O-N 3.34Å; A441-F443 PolarHBondContact O-N 3.4Å; A441-L444 PolarHBondContact O-N 3.38Å; A441-L445 WeakPolarHBondContact O-CB 3.46Å; A441-L445 WeakPolarHBondContact O-CD1 3.47Å; A441-L445 VanDerWaalsContact O-CG 3.28Å; A441-L445 WeakPolarHBondContact O-CG 3.41Å; A441-L445 PolarHBondContact O-N 3.39Å
442R94.1Very high92.2Very high37 Ų3734.7 Ų34.714%0.1416%0.16CC..Hα-helixtrans-60.4-44175.3-75.3-174.7175.483.46.8111.9I378 E380 V383 T438 T439 L445 A446 E540 T541I378-R442 WeakPolarHBondContact CD1-O 3.49Å; E380-R442 IonicContact OE1-CZ 3.31Å; E380-R442 IonicContact OE1-NE 2.83Å; E380-R442 IonicContact OE1-NH2 2.91Å; E380-R442 PolarHBondContact OE1-NH2 3.38Å; E380-R442 IonicContact OE2-CZ 3Å; E380-R442 IonicContact OE2-NH2 3.1Å; E380-R442 PolarHBondContact OE2-NH2 3.44Å; V383-R442 HydrophobicContact CB-CG 4.42Å; V383-R442 HydrophobicContact CG1-CG 3.76Å; V383-R442 HydrophobicContact CG2-CG 3.7Å; T438-R442 WeakPolarHBondContact O-CG 3.46Å; T438-R442 PolarHBondContact O-N 3.15Å; T439-R442 PolarHBondContact O-N 3.44Å; R442-L445 PolarHBondContact O-N 3.16Å; R442-A446 WeakPolarHBondContact O-CB 3.38Å; R442-A446 PolarHBondContact O-N 3.11Å; R442-E540 IonicContact CZ-OE2 3.28Å; R442-E540 IonicContact NE-OE2 2.76Å; R442-E540 PolarHBondContact NE-OE2 3.2Å; R442-E540 VanDerWaalsContact NE-OE2 3.17Å; R442-T541 HydrophobicContact CB-CG2 3.85Å
443F94.4Very high91.9Very high0 Ų040.6 Ų40.60%019%0.189CC..Hα-helixtrans-57.6-51.5176.6174.2-103.4000111.7F424 T439 L440 A441 L445 A446 L447 I493 I535 L536 T541 I543F424-F443 HydrophobicContact CZ-CE1 4.31Å; T439-F443 WeakPolarHBondContact O-CB 3.29Å; T439-F443 PolarHBondContact O-N 2.92Å; L440-F443 HydrophobicContact CD1-CD1 4.39Å; L440-F443 PolarHBondContact O-N 3.3Å; A441-F443 PolarHBondContact O-N 3.4Å; F443-L445 PolarHBondContact O-N 3.38Å; F443-A446 WeakPolarHBondContact O-CB 3.46Å; F443-A446 PolarHBondContact O-N 2.96Å; F443-L447 HydrophobicContact CD1-CD1 4.15Å; F443-L447 HydrophobicContact CD1-CG 4.5Å; F443-L447 HydrophobicContact CE1-CD1 3.47Å; F443-L447 VanDerWaalsContact CE1-CD1 3.47Å; F443-L447 HydrophobicContact CE1-CG 4.15Å; F443-L447 HydrophobicContact CE2-CD1 4.3Å; F443-L447 HydrophobicContact CE2-CD2 4.22Å; F443-L447 HydrophobicContact CE2-CG 4.26Å; F443-L447 HydrophobicContact CZ-CD1 3.57Å; F443-L447 HydrophobicContact CZ-CD2 4.21Å; F443-L447 HydrophobicContact CZ-CG 4.03Å; F443-L447 WeakPolarHBondContact O-CG 3.23Å; F443-L447 PolarHBondContact O-N 3.13Å; F443-I493 HydrophobicContact CZ-CG2 4.46Å; F443-I535 HydrophobicContact CD2-CG2 3.8Å; F443-I535 HydrophobicContact CE2-CG2 4.06Å; F443-L536 HydrophobicContact CD2-CD2 4.25Å; F443-L536 HydrophobicContact CE2-CD2 3.77Å; F443-T541 WeakPolarHBondContact CD2-O 3.2Å; F443-I543 HydrophobicContact CB-CG2 3.61Å; F443-I543 HydrophobicContact CD1-CD1 4.01Å; F443-I543 HydrophobicContact CD1-CG2 4Å; F443-I543 HydrophobicContact CD2-CD1 4.39Å; F443-I543 HydrophobicContact CD2-CG1 4.34Å; F443-I543 HydrophobicContact CD2-CG2 4.17Å; F443-I543 HydrophobicContact CE1-CD1 3.71Å; F443-I543 HydrophobicContact CE2-CD1 4.14Å; F443-I543 HydrophobicContact CE2-CG1 4.35Å; F443-I543 HydrophobicContact CG-CD1 4.34Å; F443-I543 HydrophobicContact CG-CG1 4.48Å; F443-I543 HydrophobicContact CG-CG2 3.66Å; F443-I543 HydrophobicContact CZ-CD1 3.78Å; F443-I543 HydrophobicContact CZ-CG1 4.48Å
444L95.3Very high91.6Very high0 Ų042 Ų420%020%0.196CC..Hα-helixtrans-64.2-39.3-179.7-67.2174.3000112.6L417 C420 L421 F424 L440 A441 L447 Q448L417-L444 HydrophobicContact CD2-CB 3.8Å; C420-L444 HydrophobicContact CB-CD1 3.76Å; C420-L444 HydrophobicContact CB-CD2 3.79Å; C420-L444 HydrophobicContact CB-CG 4.42Å; L421-L444 HydrophobicContact CD2-CD1 3.59Å; L421-L444 HydrophobicContact CG-CD1 4.07Å; F424-L444 HydrophobicContact CE2-CD2 4.05Å; L440-L444 HydrophobicContact CD1-CD1 4.2Å; L440-L444 HydrophobicContact CD1-CG 4.15Å; L440-L444 HydrophobicContact CG-CD1 4.16Å; L440-L444 WeakPolarHBondContact O-CG 3.45Å; L440-L444 PolarHBondContact O-N 2.9Å; A441-L444 PolarHBondContact O-N 3.38Å; L444-L447 PolarHBondContact O-N 2.86Å; L444-Q448 WeakPolarHBondContact O-CB 3.43Å; L444-Q448 PolarHBondContact O-N 3.5Å
445L93.4Very high91.4Very high3 Ų336.9 Ų36.92%0.01618%0.178CC..Hα-helixtrans-65.5-39.2174.6-72.6164.1000111.7I378 E382 V383 L386 L417 A441 R442 F443 Q448 K449I378-L445 HydrophobicContact CD1-CB 4.09Å; I378-L445 HydrophobicContact CG1-CB 4.4Å; I378-L445 HydrophobicContact CG2-CB 3.79Å; I378-L445 HydrophobicContact CG2-CD1 3.58Å; I378-L445 HydrophobicContact CG2-CG 4.26Å; E382-L445 HydrophobicContact CB-CD1 3.94Å; E382-L445 HydrophobicContact CB-CD2 4.23Å; V383-L445 HydrophobicContact CB-CD1 4.49Å; V383-L445 HydrophobicContact CG2-CD1 3.91Å; L386-L445 HydrophobicContact CD2-CD1 4.37Å; L386-L445 HydrophobicContact CD2-CG 4.15Å; L417-L445 HydrophobicContact CD1-CD2 3.71Å; L417-L445 HydrophobicContact CD2-CD2 4.48Å; A441-L445 WeakPolarHBondContact O-CB 3.46Å; A441-L445 WeakPolarHBondContact O-CD1 3.47Å; A441-L445 VanDerWaalsContact O-CG 3.28Å; A441-L445 WeakPolarHBondContact O-CG 3.41Å; A441-L445 PolarHBondContact O-N 3.39Å; R442-L445 PolarHBondContact O-N 3.16Å; F443-L445 PolarHBondContact O-N 3.38Å; L445-Q448 PolarHBondContact O-N 2.9Å; L445-K449 WeakPolarHBondContact O-CB 3.46Å; L445-K449 WeakPolarHBondContact O-CG 3.34Å; L445-K449 PolarHBondContact O-N 3.29Å
446A91.6Very high91.2Very high4 Ų436.5 Ų36.53%0.03318%0.176CC..Hα-helixtrans-62.5-43.1174.200000111.4I378 R442 F443 S450 I535 T541I378-A446 HydrophobicContact CD1-CB 3.96Å; R442-A446 WeakPolarHBondContact O-CB 3.38Å; R442-A446 PolarHBondContact O-N 3.11Å; F443-A446 WeakPolarHBondContact O-CB 3.46Å; F443-A446 PolarHBondContact O-N 2.96Å; A446-S450 VanDerWaalsContact O-CB 3.26Å; A446-S450 WeakPolarHBondContact O-CB 3.28Å; A446-S450 PolarHBondContact O-N 2.73Å; A446-S450 PolarHBondContact O-OG 2.85Å; A446-I535 HydrophobicContact CB-CD1 4.4Å; A446-I535 HydrophobicContact CB-CG2 4.07Å; A446-T541 HydrophobicContact CB-CG2 4.15Å
447L92.6Very high90.8Very high0 Ų031.6 Ų31.60%015%0.153CC..Hα-helixtrans-62.6-48.9175.9-67.5-171.1000111.8F443 L444 K449 S450 H451 W459 I496 C497 I500 I535F443-L447 HydrophobicContact CD1-CD1 4.15Å; F443-L447 HydrophobicContact CD1-CG 4.5Å; F443-L447 HydrophobicContact CE1-CD1 3.47Å; F443-L447 VanDerWaalsContact CE1-CD1 3.47Å; F443-L447 HydrophobicContact CE1-CG 4.15Å; F443-L447 HydrophobicContact CE2-CD1 4.3Å; F443-L447 HydrophobicContact CE2-CD2 4.22Å; F443-L447 HydrophobicContact CE2-CG 4.26Å; F443-L447 HydrophobicContact CZ-CD1 3.57Å; F443-L447 HydrophobicContact CZ-CD2 4.21Å; F443-L447 HydrophobicContact CZ-CG 4.03Å; F443-L447 WeakPolarHBondContact O-CG 3.23Å; F443-L447 PolarHBondContact O-N 3.13Å; L444-L447 PolarHBondContact O-N 2.86Å; L447-K449 PolarHBondContact O-N 3.44Å; L447-S450 PolarHBondContact O-N 3.46Å; L447-S450 VanDerWaalsContact O-N 3.16Å; L447-H451 PolarHBondContact O-N 3.13Å; L447-H451 PolarHBondContact O-ND1 3.15Å; L447-W459 HydrophobicContact CB-CH2 3.95Å; L447-W459 HydrophobicContact CB-CZ3 3.79Å; L447-I496 HydrophobicContact CD1-CG1 4.48Å; L447-I496 HydrophobicContact CD1-CG2 3.8Å; L447-C497 WeakPolarHBondContact CD2-SG 3.2Å; L447-I500 HydrophobicContact CD2-CD1 3.96Å; L447-I535 HydrophobicContact CD2-CD1 3.82Å
448Q92.4Very high90.5Very high32 Ų3230.3 Ų30.315%0.1515%0.15CC..Hα-helixtrans-56.6-50.2178.5178.9-173.146.900111.3A413 L417 L444 L445 S450 H451 W459A413-Q448 PolarHBondContact O-NE2 3.44Å; L417-Q448 HydrophobicContact CD2-CB 4.35Å; L444-Q448 WeakPolarHBondContact O-CB 3.43Å; L444-Q448 PolarHBondContact O-N 3.5Å; L445-Q448 PolarHBondContact O-N 2.9Å; Q448-S450 PolarHBondContact O-N 3.01Å; Q448-H451 PolarHBondContact O-N 3.48Å; Q448-W459 HydrophobicContact CB-CD2 4Å; Q448-W459 HydrophobicContact CB-CE3 4.4Å; Q448-W459 HydrophobicContact CB-CG 4.45Å; Q448-W459 HydrophobicContact CB-CH2 4.4Å; Q448-W459 HydrophobicContact CB-CZ2 4.02Å; Q448-W459 HydrophobicContact CG-CD2 4.09Å; Q448-W459 HydrophobicContact CG-CG 4.02Å
449K89.4Confident90.5Very high71 Ų7128.9 Ų28.931%0.30914%0.14SC..Hα-helixtrans-69.6-19.8-179.2-66.3-173.9-173.8-166.70113.1L376 R377 E382 L445 L447L376-K449 HydrophobicContact CD2-CB 3.39Å; L376-K449 WeakPolarHBondContact CD2-O 3.45Å; R377-K449 PolarHBondContact O-NZ 2.96Å; E382-K449 IonicContact OE1-NZ 3.71Å; E382-K449 WeakPolarHBondContact OE2-CE 3.41Å; E382-K449 IonicContact OE2-NZ 3.17Å; E382-K449 PolarHBondContact OE2-NZ 3.01Å; L445-K449 WeakPolarHBondContact O-CB 3.46Å; L445-K449 WeakPolarHBondContact O-CG 3.34Å; L445-K449 PolarHBondContact O-N 3.29Å; L447-K449 PolarHBondContact O-N 3.44Å
450S87.6Confident90.4Very high7 Ų730.8 Ų30.85%0.04915%0.149CC..Hα-helixtrans-84.6-13.9176.3-61.50000113.8L376 A446 L447 Q448 I500 D501 H531L376-S450 WeakPolarHBondContact CD1-OG 3.28Å; A446-S450 VanDerWaalsContact O-CB 3.26Å; A446-S450 WeakPolarHBondContact O-CB 3.28Å; A446-S450 PolarHBondContact O-N 2.73Å; A446-S450 PolarHBondContact O-OG 2.85Å; L447-S450 PolarHBondContact O-N 3.46Å; L447-S450 VanDerWaalsContact O-N 3.16Å; Q448-S450 PolarHBondContact O-N 3.01Å; S450-I500 VanDerWaalsContact CB-CG1 3.42Å; S450-D501 PolarHBondContact O-N 3.23Å; S450-H531 PolarHBondContact OG-NE2 3.2Å
451H87.3Confident90.1Very high15 Ų1531.2 Ų31.27%0.06915%0.151CC..SBendtrans-83.1134.4170.1-73.779.6000109.8L447 Q448 W459 A462 I496 G499L447-H451 PolarHBondContact O-N 3.13Å; L447-H451 PolarHBondContact O-ND1 3.15Å; Q448-H451 PolarHBondContact O-N 3.48Å; H451-W459 HydrophobicContact CB-CB 4.11Å; H451-W459 HydrophobicContact CB-CE3 4.47Å; H451-W459 AromaticContact CE1-CE3 3.83Å; H451-W459 AromaticContact CE1-CZ3 3.89Å; H451-W459 AromaticContact CG-CE3 3.94Å; H451-W459 AromaticContact ND1-CE3 3.43Å; H451-W459 AromaticContact ND1-CZ3 3.79Å; H451-A462 VanDerWaalsContact NE2-CB 3.35Å; H451-A462 WeakPolarHBondContact NE2-CB 3.46Å; H451-I496 PolarHBondContact CE1-O 3.29Å; H451-I496 PolarHBondContact NE2-O 2.91Å; H451-G499 PolarHBondContact CD2-O 3.39Å
452R83.4Confident90Very high123 Ų12331.2 Ų31.246%0.46415%0.152SC..  trans-81155.7179.6-59.5-163.9177.8-128.30.2110.7L454 D501 Y502R452-L454 HydrophobicContact CB-CD1 4.42Å; R452-L454 HydrophobicContact CB-CG 4.23Å; R452-L454 PolarHBondContact O-N 2.97Å; R452-D501 IonicContact CZ-OD1 2.92Å; R452-D501 IonicContact NE-OD1 2.66Å; R452-D501 PolarHBondContact NE-OD1 3.18Å; R452-D501 IonicContact NH2-OD1 3.46Å; R452-D501 PolarHBondContact NH2-OD1 3.18Å; R452-Y502 VanDerWaalsContact CD-O 3.24Å; R452-Y502 WeakPolarHBondContact CD-O 3.32Å; R452-Y502 WeakPolarHBondContact CG-O 3.45Å
453N84Confident90.1Very high165 Ų16529.5 Ų29.588%0.88215%0.145SC*.  trans-84.269177.2-167.727.5000110.6
454L85Confident90Very high34 Ų3429.8 Ų29.818%0.17815%0.147CC..  trans-96.7159.1174.9-67171.1000111R452 Y456 H457 N458 Y502 E627R452-L454 HydrophobicContact CB-CD1 4.42Å; R452-L454 HydrophobicContact CB-CG 4.23Å; R452-L454 PolarHBondContact O-N 2.97Å; L454-Y456 VanDerWaalsContact C-N 3.35Å; L454-Y456 PolarHBondContact O-N 3.46Å; L454-H457 HydrophobicContact CD1-CB 4.23Å; L454-N458 WeakPolarHBondContact O-CB 3.23Å; L454-N458 PolarHBondContact O-ND2 2.87Å; L454-Y502 HydrophobicContact CD1-CD1 3.45Å; L454-Y502 VanDerWaalsContact CD1-CD1 3.45Å; L454-Y502 HydrophobicContact CD1-CE1 3.96Å; L454-Y502 VanDerWaalsContact CD1-O 3.29Å; L454-Y502 WeakPolarHBondContact CD1-O 3.35Å; L454-E627 WeakPolarHBondContact CB-OE2 3.26Å
455P87.6Confident89.9Confident44 Ų4429.8 Ų29.829%0.28615%0.147SC..SBendtrans-57.1-44.3-179.5-24.633.6000113.3N458 H623 E626 E627P455-N458 PolarHBondContact O-ND2 2.93Å; P455-H623 HydrophobicContact CB-CB 4.2Å; P455-H623 WeakPolarHBondContact O-CB 2.96Å; P455-E626 HydrophobicContact CB-CG 4.39Å; P455-E626 HydrophobicContact CG-CG 4.29Å; P455-E627 HydrophobicContact CB-CB 4.16Å; P455-E627 HydrophobicContact CG-CB 4.1Å; P455-E627 HydrophobicContact CG-CG 4.5Å
456Y88.7Confident90Very high8 Ų829.7 Ų29.73%0.03115%0.146CC..SBendtrans-111.3-54.3-177.4-179.8-103.1000112.6L454 N458 H461 H609 C620 F624 E627L454-Y456 VanDerWaalsContact C-N 3.35Å; L454-Y456 PolarHBondContact O-N 3.46Å; Y456-N458 PolarHBondContact O-N 3.44Å; Y456-H461 AromaticContact CE1-CE1 3.99Å; Y456-H461 AromaticContact CE1-NE2 3.83Å; Y456-H461 AromaticContact CE2-ND1 3.97Å; Y456-H461 AromaticContact CZ-CE1 3.47Å; Y456-H461 VanDerWaalsContact CZ-CE1 3.47Å; Y456-H461 AromaticContact CZ-ND1 3.77Å; Y456-H461 AromaticContact CZ-NE2 3.79Å; Y456-H461 WeakPolarHBondContact O-CB 3.4Å; Y456-H461 PolarHBondContact OH-CE1 3.48Å; Y456-H609 AromaticContact CZ-CE1 3.97Å; Y456-H609 PolarHBondContact OH-CE1 3.13Å; Y456-H609 PolarHBondContact OH-ND1 3.39Å; Y456-C620 HydrophobicContact CE2-CB 4.16Å; Y456-F624 HydrophobicContact CD1-CB 4.39Å; Y456-F624 HydrophobicContact CD1-CD2 4.12Å; Y456-F624 HydrophobicContact CD2-CB 3.94Å; Y456-F624 HydrophobicContact CE1-CD2 4.29Å; Y456-F624 HydrophobicContact CE2-CB 4.32Å; Y456-F624 HydrophobicContact CG-CB 4Å; Y456-E627 WeakPolarHBondContact CA-OE2 3.37Å; Y456-E627 WeakPolarHBondContact CB-OE2 3.44Å; Y456-E627 PolarHBondContact N-OE2 3.15Å
457H86Confident90.2Very high2 Ų229.5 Ų29.51%0.00914%0.144CC..SBendtrans-78.764.2-177.3-68.3103000112.9L454 Y502 E514 E627L454-H457 HydrophobicContact CD1-CB 4.23Å; H457-Y502 HydrophobicContact CB-CD1 3.33Å; H457-Y502 HydrophobicContact CB-CE1 3.74Å; H457-Y502 HydrophobicContact CB-CG 3.89Å; H457-Y502 AromaticContact CE1-CZ 3.8Å; H457-Y502 AromaticContact CG-CD1 3.61Å; H457-Y502 AromaticContact CG-CE1 3.58Å; H457-Y502 AromaticContact CG-CZ 3.98Å; H457-Y502 AromaticContact ND1-CD1 3.85Å; H457-Y502 AromaticContact ND1-CE1 3.31Å; H457-Y502 VanDerWaalsContact ND1-CE1 3.31Å; H457-Y502 WeakPolarHBondContact ND1-CE1 3.46Å; H457-Y502 AromaticContact ND1-CZ 3.55Å; H457-E514 IonicContact CE1-OE1 2.77Å; H457-E514 PolarHBondContact CE1-OE1 2.85Å; H457-E514 VanDerWaalsContact CE1-OE1 3.23Å; H457-E514 IonicContact CE1-OE2 3.79Å; H457-E514 PolarHBondContact CE1-OE2 3.31Å; H457-E514 IonicContact NE2-OE1 3.24Å; H457-E514 PolarHBondContact NE2-OE1 3.35Å; H457-E514 IonicContact NE2-OE2 2.82Å; H457-E627 IonicContact CE1-OE1 3.8Å; H457-E627 IonicContact CG-OE1 3.69Å; H457-E627 PolarHBondContact N-OE2 2.78Å; H457-E627 IonicContact ND1-OE1 3.99Å; H457-E627 PolarHBondContact ND1-OE1 2.84Å; H457-E627 IonicContact ND1-OE2 2.63Å
458N89.2Confident90.3Very high29 Ų2929.6 Ų29.616%0.15515%0.145CC..SBendtrans-120.6179.8-177.959.946.2000112.7L454 P455 Y456 N460 H461 A462L454-N458 WeakPolarHBondContact O-CB 3.23Å; L454-N458 PolarHBondContact O-ND2 2.87Å; P455-N458 PolarHBondContact O-ND2 2.93Å; Y456-N458 PolarHBondContact O-N 3.44Å; N458-N460 VanDerWaalsContact C-N 3.25Å; N458-N460 PolarHBondContact O-N 3.09Å; N458-N460 WeakPolarHBondContact OD1-CB 3.3Å; N458-N460 PolarHBondContact OD1-N 3.15Å; N458-H461 PolarHBondContact O-N 3.15Å; N458-H461 PolarHBondContact OD1-N 3.11Å; N458-H461 VanDerWaalsContact OD1-N 3.07Å; N458-A462 PolarHBondContact O-N 3.27Å; N458-A462 VanDerWaalsContact O-N 3.09Å
459W92.7Very high90.4Very high16 Ų1628.4 Ų28.46%0.06114%0.14CC..Hα-helixtrans-56.4-36179179.9-120.1000113.7I416 L417 L447 Q448 H451 A462 F463 I496I416-W459 HydrophobicContact CG2-CZ2 3.82Å; L417-W459 HydrophobicContact CD2-CZ2 4.22Å; L447-W459 HydrophobicContact CB-CH2 3.95Å; L447-W459 HydrophobicContact CB-CZ3 3.79Å; Q448-W459 HydrophobicContact CB-CD2 4Å; Q448-W459 HydrophobicContact CB-CE3 4.4Å; Q448-W459 HydrophobicContact CB-CG 4.45Å; Q448-W459 HydrophobicContact CB-CH2 4.4Å; Q448-W459 HydrophobicContact CB-CZ2 4.02Å; Q448-W459 HydrophobicContact CG-CD2 4.09Å; Q448-W459 HydrophobicContact CG-CG 4.02Å; H451-W459 HydrophobicContact CB-CB 4.11Å; H451-W459 HydrophobicContact CB-CE3 4.47Å; H451-W459 AromaticContact CE1-CE3 3.83Å; H451-W459 AromaticContact CE1-CZ3 3.89Å; H451-W459 AromaticContact CG-CE3 3.94Å; H451-W459 AromaticContact ND1-CE3 3.43Å; H451-W459 AromaticContact ND1-CZ3 3.79Å; W459-A462 HydrophobicContact CE3-CB 4.41Å; W459-A462 PolarHBondContact O-N 2.95Å; W459-F463 PolarHBondContact O-N 3.34Å; W459-I496 HydrophobicContact CH2-CD1 3.63Å; W459-I496 HydrophobicContact CH2-CG1 3.89Å; W459-I496 HydrophobicContact CZ2-CD1 4.43Å; W459-I496 HydrophobicContact CZ3-CD1 4.14Å; W459-I496 HydrophobicContact CZ3-CG1 3.84Å
460N92.6Very high90.7Very high57 Ų5725 Ų2531%0.30513%0.125SC..Hα-helixtrans-68.1-42.7179.5-66.4-4.3000110.8I416 N458 F463 I464I416-N460 HydrophobicContact CD1-CB 4.38Å; I416-N460 WeakPolarHBondContact CD1-OD1 3.18Å; N458-N460 VanDerWaalsContact C-N 3.25Å; N458-N460 PolarHBondContact O-N 3.09Å; N458-N460 WeakPolarHBondContact OD1-CB 3.3Å; N458-N460 PolarHBondContact OD1-N 3.15Å; N460-F463 PolarHBondContact O-N 3.48Å; N460-I464 VanDerWaalsContact O-CG1 3.26Å; N460-I464 WeakPolarHBondContact O-CG1 3.27Å; N460-I464 PolarHBondContact O-N 3.23Å
461H89.7Confident91Very high8 Ų824.8 Ų24.84%0.03712%0.123CC..Hα-helixtrans-63.8-42176.2178.160.3000112.2Y456 N458 F463 I464 T465 H498 Y606Y456-H461 AromaticContact CE1-CE1 3.99Å; Y456-H461 AromaticContact CE1-NE2 3.83Å; Y456-H461 AromaticContact CE2-ND1 3.97Å; Y456-H461 AromaticContact CZ-CE1 3.47Å; Y456-H461 VanDerWaalsContact CZ-CE1 3.47Å; Y456-H461 AromaticContact CZ-ND1 3.77Å; Y456-H461 AromaticContact CZ-NE2 3.79Å; Y456-H461 WeakPolarHBondContact O-CB 3.4Å; Y456-H461 PolarHBondContact OH-CE1 3.48Å; N458-H461 PolarHBondContact O-N 3.15Å; N458-H461 PolarHBondContact OD1-N 3.11Å; N458-H461 VanDerWaalsContact OD1-N 3.07Å; H461-F463 VanDerWaalsContact C-N 3.31Å; H461-F463 PolarHBondContact O-N 2.98Å; H461-I464 PolarHBondContact O-N 3.14Å; H461-T465 PolarHBondContact O-N 2.89Å; H461-T465 PolarHBondContact O-OG1 3.45Å; H461-H498 AromaticContact CD2-CE1 3.67Å; H461-H498 AromaticContact CD2-NE2 3.4Å; H461-H498 PolarHBondContact CD2-NE2 2.9Å; H461-H498 AromaticContact NE2-CE1 3.73Å; H461-H498 AromaticContact NE2-NE2 3.32Å; H461-H498 PolarHBondContact NE2-NE2 3.23Å; H461-Y606 AromaticContact NE2-CE2 3.92Å
462A93.1Very high91.3Very high1 Ų124.1 Ų24.11%0.00812%0.12CC..Hα-helixtrans-58.2-43.7173.100000111.9H451 N458 W459 T465 A466H451-A462 VanDerWaalsContact NE2-CB 3.35Å; H451-A462 WeakPolarHBondContact NE2-CB 3.46Å; N458-A462 PolarHBondContact O-N 3.27Å; N458-A462 VanDerWaalsContact O-N 3.09Å; W459-A462 HydrophobicContact CE3-CB 4.41Å; W459-A462 PolarHBondContact O-N 2.95Å; A462-T465 WeakPolarHBondContact O-CB 3.4Å; A462-T465 PolarHBondContact O-N 3.3Å; A462-A466 PolarHBondContact O-N 3.49Å; A462-A466 VanDerWaalsContact O-N 3.08Å
463F95.2Very high91.8Very high0 Ų019.1 Ų19.10%010%0.102CC..Hα-helixtrans-67.5-42.6176.2-177.5-112.7000113.4F401 A408 L411 I416 A419 C420 I423 W459 N460 H461 T465 A466 H467F401-F463 HydrophobicContact CE2-CZ 4.44Å; F401-F463 HydrophobicContact CZ-CZ 4.35Å; A408-F463 HydrophobicContact CB-CD1 3.68Å; A408-F463 HydrophobicContact CB-CE1 3.32Å; A408-F463 HydrophobicContact CB-CZ 4.49Å; L411-F463 HydrophobicContact CD1-CE1 3.9Å; I416-F463 HydrophobicContact CB-CD1 4.36Å; I416-F463 HydrophobicContact CB-CG 4.33Å; I416-F463 HydrophobicContact CD1-CB 4.33Å; I416-F463 HydrophobicContact CD1-CD1 4.32Å; I416-F463 HydrophobicContact CG1-CD1 3.82Å; I416-F463 HydrophobicContact CG1-CE1 4.33Å; I416-F463 HydrophobicContact CG1-CG 4.18Å; I416-F463 HydrophobicContact CG2-CB 3.63Å; I416-F463 HydrophobicContact CG2-CD1 3.91Å; I416-F463 HydrophobicContact CG2-CD2 3.59Å; I416-F463 HydrophobicContact CG2-CE1 4.49Å; I416-F463 HydrophobicContact CG2-CE2 4.23Å; I416-F463 HydrophobicContact CG2-CG 3.4Å; I416-F463 VanDerWaalsContact CG2-CG 3.4Å; A419-F463 HydrophobicContact CB-CE1 4.14Å; A419-F463 HydrophobicContact CB-CE2 4.11Å; A419-F463 HydrophobicContact CB-CZ 3.44Å; A419-F463 VanDerWaalsContact CB-CZ 3.44Å; C420-F463 VanDerWaalsContact SG-CD2 3.52Å; C420-F463 VanDerWaalsContact SG-CE2 3.51Å; I423-F463 HydrophobicContact CD1-CE2 3.92Å; I423-F463 HydrophobicContact CD1-CZ 4.11Å; W459-F463 PolarHBondContact O-N 3.34Å; N460-F463 PolarHBondContact O-N 3.48Å; H461-F463 VanDerWaalsContact C-N 3.31Å; H461-F463 PolarHBondContact O-N 2.98Å; F463-T465 PolarHBondContact O-N 3.46Å; F463-A466 PolarHBondContact O-N 3.47Å; F463-A466 VanDerWaalsContact O-N 3.17Å; F463-H467 HydrophobicContact CE1-CB 4.24Å; F463-H467 HydrophobicContact CZ-CB 4.2Å; F463-H467 VanDerWaalsContact O-CB 3.25Å; F463-H467 WeakPolarHBondContact O-CB 3.43Å; F463-H467 PolarHBondContact O-N 2.74Å
464I93.2Very high92.2Very high7 Ų715.6 Ų15.64%0.0368%0.079CC..Hα-helixtrans-57-43.1176.6-72.7167.4000110.4T407 Q409 N460 H461 H467 F468 M612T407-I464 HydrophobicContact CG2-CD1 4.3Å; T407-I464 HydrophobicContact CG2-CG1 4.25Å; T407-I464 HydrophobicContact CG2-CG2 4.45Å; Q409-I464 HydrophobicContact CB-CD1 4.16Å; Q409-I464 HydrophobicContact CG-CD1 4.39Å; N460-I464 VanDerWaalsContact O-CG1 3.26Å; N460-I464 WeakPolarHBondContact O-CG1 3.27Å; N460-I464 PolarHBondContact O-N 3.23Å; H461-I464 PolarHBondContact O-N 3.14Å; I464-H467 PolarHBondContact O-N 3.08Å; I464-F468 WeakPolarHBondContact O-CB 3.24Å; I464-F468 PolarHBondContact O-N 3.46Å; I464-M612 HydrophobicContact CG2-CE 3.4Å; I464-M612 VanDerWaalsContact CG2-CE 3.4Å; I464-M612 HydrophobicContact CG2-SD 3.86Å
465T93.4Very high92.6Very high0 Ų018.5 Ų18.50%09%0.088CC..Hα-helixtrans-61.2-47176-60.20000111.6H461 A462 F463 F468 C469 C495 H498 C605H461-T465 PolarHBondContact O-N 2.89Å; H461-T465 PolarHBondContact O-OG1 3.45Å; A462-T465 WeakPolarHBondContact O-CB 3.4Å; A462-T465 PolarHBondContact O-N 3.3Å; F463-T465 PolarHBondContact O-N 3.46Å; T465-F468 PolarHBondContact O-N 2.84Å; T465-C469 PolarHBondContact O-N 2.63Å; T465-C469 VanDerWaalsContact O-N 3.15Å; T465-C495 HydrophobicContact CG2-CB 4.03Å; T465-H498 PolarHBondContact OG1-CE1 2.89Å; T465-C605 HydrophobicContact CG2-CB 4Å
466A95.6Very high92.9Very high0 Ų016.4 Ų16.40%07%0.074CC..Hα-helixtrans-68.1-38.9177.900000113A462 F463 F468 C469 F470 F492 C495 I496A462-A466 PolarHBondContact O-N 3.49Å; A462-A466 VanDerWaalsContact O-N 3.08Å; F463-A466 PolarHBondContact O-N 3.47Å; F463-A466 VanDerWaalsContact O-N 3.17Å; A466-F468 VanDerWaalsContact C-N 3.32Å; A466-F468 PolarHBondContact O-N 3.47Å; A466-C469 VanDerWaalsContact O-CB 3.27Å; A466-C469 WeakPolarHBondContact O-CB 3.41Å; A466-C469 PolarHBondContact O-N 2.86Å; A466-F470 PolarHBondContact O-N 3.09Å; A466-F492 HydrophobicContact CB-CD2 4.48Å; A466-F492 HydrophobicContact CB-CE2 3.88Å; A466-F492 HydrophobicContact CB-CZ 3.92Å; A466-F492 VanDerWaalsContact O-CE2 3.26Å; A466-F492 WeakPolarHBondContact O-CE2 3.41Å; A466-C495 HydrophobicContact CB-CB 4.18Å; A466-I496 HydrophobicContact CB-CB 3.75Å; A466-I496 HydrophobicContact CB-CD1 4.47Å; A466-I496 HydrophobicContact CB-CG1 4.2Å
467H95Very high92.9Very high0 Ų019.6 Ų19.60%010%0.096CC..Hα-helixtrans-65.4-36.7175.8178-112.1000111.3F401 Y406 F463 I464 F470 I471F401-H467 AromaticContact CD2-NE2 3.98Å; F401-H467 AromaticContact CE2-CD2 3.9Å; F401-H467 AromaticContact CE2-NE2 3.89Å; F401-H467 AromaticContact CZ-CD2 3.67Å; F401-H467 AromaticContact CZ-NE2 3.96Å; F401-H467 PolarHBondContact O-CE1 3.1Å; F401-H467 PolarHBondContact O-NE2 3.1Å; Y406-H467 AromaticContact CD1-CE1 3.77Å; F463-H467 HydrophobicContact CE1-CB 4.24Å; F463-H467 HydrophobicContact CZ-CB 4.2Å; F463-H467 VanDerWaalsContact O-CB 3.25Å; F463-H467 WeakPolarHBondContact O-CB 3.43Å; F463-H467 PolarHBondContact O-N 2.74Å; I464-H467 PolarHBondContact O-N 3.08Å; H467-F470 WeakPolarHBondContact O-CB 2.88Å; H467-F470 PolarHBondContact O-N 3.46Å; H467-I471 VanDerWaalsContact CE1-CD1 3.46Å; H467-I471 WeakPolarHBondContact CE1-CD1 3.34Å; H467-I471 WeakPolarHBondContact O-CG1 3.38Å; H467-I471 PolarHBondContact O-N 3.26Å
468F95Very high93.2Very high2 Ų222.8 Ų22.81%0.00911%0.111CC..Hα-helixtrans-64-41.1171.9-165.8-98.7000112.2I464 T465 A466 F470 I471 L472 C605 S608 V611 M612 F669 F682I464-F468 WeakPolarHBondContact O-CB 3.24Å; I464-F468 PolarHBondContact O-N 3.46Å; T465-F468 PolarHBondContact O-N 2.84Å; A466-F468 VanDerWaalsContact C-N 3.32Å; A466-F468 PolarHBondContact O-N 3.47Å; F468-F470 VanDerWaalsContact C-N 3.28Å; F468-F470 PolarHBondContact O-N 2.82Å; F468-I471 PolarHBondContact O-N 3.48Å; F468-I471 VanDerWaalsContact O-N 3.11Å; F468-L472 HydrophobicContact CD1-CD1 3.86Å; F468-L472 HydrophobicContact CD1-CG 3.93Å; F468-L472 HydrophobicContact CE1-CD1 3.72Å; F468-L472 HydrophobicContact CE1-CD2 3.9Å; F468-L472 HydrophobicContact CE1-CG 3.78Å; F468-L472 HydrophobicContact CZ-CD2 4.26Å; F468-L472 WeakPolarHBondContact O-CG 3.33Å; F468-L472 PolarHBondContact O-N 3.08Å; F468-C605 HydrophobicContact CD1-CB 4.49Å; F468-S608 VanDerWaalsContact CD2-CB 3.47Å; F468-V611 HydrophobicContact CE2-CG2 3.72Å; F468-V611 HydrophobicContact CZ-CG2 3.78Å; F468-M612 HydrophobicContact CD2-CE 4.09Å; F468-F669 HydrophobicContact CE1-CE1 4.06Å; F468-F669 HydrophobicContact CE1-CZ 4.35Å; F468-F669 AromaticContact CZ-CE1 3.8Å; F468-F669 HydrophobicContact CZ-CE1 3.8Å; F468-F669 HydrophobicContact CZ-CZ 4.24Å; F468-F682 HydrophobicContact CD2-CE1 4.46Å; F468-F682 HydrophobicContact CD2-CZ 4.48Å; F468-F682 AromaticContact CE2-CD1 3.83Å; F468-F682 HydrophobicContact CE2-CD1 3.83Å; F468-F682 HydrophobicContact CE2-CD2 4.37Å; F468-F682 AromaticContact CE2-CE1 3.41Å; F468-F682 HydrophobicContact CE2-CE1 3.41Å; F468-F682 VanDerWaalsContact CE2-CE1 3.41Å; F468-F682 HydrophobicContact CE2-CE2 4.05Å; F468-F682 HydrophobicContact CE2-CG 4.3Å; F468-F682 AromaticContact CE2-CZ 3.54Å; F468-F682 HydrophobicContact CE2-CZ 3.54Å; F468-F682 AromaticContact CZ-CD1 3.98Å; F468-F682 HydrophobicContact CZ-CD1 3.98Å; F468-F682 AromaticContact CZ-CD2 3.84Å; F468-F682 HydrophobicContact CZ-CD2 3.84Å; F468-F682 AromaticContact CZ-CE1 3.87Å; F468-F682 HydrophobicContact CZ-CE1 3.87Å; F468-F682 AromaticContact CZ-CE2 3.77Å; F468-F682 HydrophobicContact CZ-CE2 3.77Å; F468-F682 AromaticContact CZ-CG 3.98Å; F468-F682 HydrophobicContact CZ-CG 3.98Å; F468-F682 AromaticContact CZ-CZ 3.77Å; F468-F682 HydrophobicContact CZ-CZ 3.77Å
469C95.1Very high93.3Very high7 Ų721.6 Ų21.65%0.04710%0.104CC..Hα-helixtrans-56.4-44.2171.8-172.80000111.3T465 A466 I471 L472 M473 F492 C495 C605T465-C469 PolarHBondContact O-N 2.63Å; T465-C469 VanDerWaalsContact O-N 3.15Å; A466-C469 VanDerWaalsContact O-CB 3.27Å; A466-C469 WeakPolarHBondContact O-CB 3.41Å; A466-C469 PolarHBondContact O-N 2.86Å; C469-I471 PolarHBondContact O-N 2.81Å; C469-L472 PolarHBondContact O-N 3.16Å; C469-M473 WeakPolarHBondContact O-CG 3.31Å; C469-M473 PolarHBondContact O-N 3.5Å; C469-F492 HydrophobicContact CB-CD2 4.41Å; C469-C495 HydrophobicContact CB-CB 4.41Å; C469-C605 VanDerWaalsContact CA-SG 3.53Å; C469-C605 VanDerWaalsContact CB-SG 3.55Å
470F94.8Very high93Very high0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-59.8-43.8173.2169.3-106.8000113.2P394 F401 T402 I423 D426 V427 A466 H467 F468 L472 M473 K474 F492P394-F470 HydrophobicContact CG-CZ 4.49Å; F401-F470 AromaticContact CD1-CE1 3.83Å; F401-F470 HydrophobicContact CD1-CE1 3.83Å; F401-F470 HydrophobicContact CE1-CD1 4.16Å; F401-F470 AromaticContact CE1-CE1 3.74Å; F401-F470 HydrophobicContact CE1-CE1 3.74Å; F401-F470 HydrophobicContact CE1-CZ 4.43Å; T402-F470 HydrophobicContact CG2-CE1 3.99Å; T402-F470 HydrophobicContact CG2-CZ 4.16Å; I423-F470 HydrophobicContact CB-CD2 4.38Å; I423-F470 HydrophobicContact CD1-CB 4.24Å; I423-F470 HydrophobicContact CD1-CD1 4.43Å; I423-F470 HydrophobicContact CD1-CG 4.3Å; I423-F470 HydrophobicContact CG1-CB 4.35Å; I423-F470 HydrophobicContact CG1-CD1 4.12Å; I423-F470 HydrophobicContact CG1-CD2 4.15Å; I423-F470 HydrophobicContact CG1-CE1 4.44Å; I423-F470 HydrophobicContact CG1-CE2 4.46Å; I423-F470 HydrophobicContact CG1-CG 3.94Å; I423-F470 HydrophobicContact CG2-CB 4.02Å; I423-F470 HydrophobicContact CG2-CD2 3.69Å; I423-F470 HydrophobicContact CG2-CE2 4.38Å; I423-F470 HydrophobicContact CG2-CG 3.99Å; D426-F470 WeakPolarHBondContact OD2-CE2 3.48Å; D426-F470 WeakPolarHBondContact OD2-CZ 3.25Å; V427-F470 HydrophobicContact CG2-CD2 3.51Å; V427-F470 HydrophobicContact CG2-CE2 3.7Å; A466-F470 PolarHBondContact O-N 3.09Å; H467-F470 WeakPolarHBondContact O-CB 2.88Å; H467-F470 PolarHBondContact O-N 3.46Å; F468-F470 VanDerWaalsContact C-N 3.28Å; F468-F470 PolarHBondContact O-N 2.82Å; F470-L472 PolarHBondContact O-N 3.48Å; F470-M473 HydrophobicContact CB-CE 4.43Å; F470-M473 PolarHBondContact O-N 3.21Å; F470-K474 HydrophobicContact CD2-CG 4.48Å; F470-K474 HydrophobicContact CE2-CD 4.41Å; F470-K474 VanDerWaalsContact CE2-CE 3.42Å; F470-K474 HydrophobicContact CE2-CG 4.08Å; F470-K474 HydrophobicContact CZ-CG 4.11Å; F470-K474 WeakPolarHBondContact O-CG 3.31Å; F470-K474 PolarHBondContact O-N 2.97Å; F470-K474 VanDerWaalsContact O-N 3.11Å; F470-F492 HydrophobicContact CB-CE2 4.44Å
471I94.1Very high92.8Very high2 Ų230.1 Ų30.11%0.0115%0.152CC..Hα-helixtrans-61.3-44.2175-66.8167000110.8H467 F468 C469 M473 K474 R475 F682H467-I471 VanDerWaalsContact CE1-CD1 3.46Å; H467-I471 WeakPolarHBondContact CE1-CD1 3.34Å; H467-I471 WeakPolarHBondContact O-CG1 3.38Å; H467-I471 PolarHBondContact O-N 3.26Å; F468-I471 PolarHBondContact O-N 3.48Å; F468-I471 VanDerWaalsContact O-N 3.11Å; C469-I471 PolarHBondContact O-N 2.81Å; I471-M473 PolarHBondContact O-N 3.33Å; I471-K474 PolarHBondContact O-N 2.91Å; I471-K474 VanDerWaalsContact O-N 3.15Å; I471-R475 HydrophobicContact CG2-CG 3.98Å; I471-R475 WeakPolarHBondContact O-CB 3.21Å; I471-R475 VanDerWaalsContact O-CG 3.28Å; I471-R475 WeakPolarHBondContact O-CG 3.29Å; I471-R475 PolarHBondContact O-N 2.68Å; I471-F682 HydrophobicContact CG2-CZ 3.95Å
472L94.5Very high92.9Very high2 Ų230.6 Ų30.61%0.0115%0.154CC..Hα-helixtrans-59.9-45.3177.2-69.2-178.7000111.5F468 C469 F470 K474 R475 I476 L601 L672 V679 F682F468-L472 HydrophobicContact CD1-CD1 3.86Å; F468-L472 HydrophobicContact CD1-CG 3.93Å; F468-L472 HydrophobicContact CE1-CD1 3.72Å; F468-L472 HydrophobicContact CE1-CD2 3.9Å; F468-L472 HydrophobicContact CE1-CG 3.78Å; F468-L472 HydrophobicContact CZ-CD2 4.26Å; F468-L472 WeakPolarHBondContact O-CG 3.33Å; F468-L472 PolarHBondContact O-N 3.08Å; C469-L472 PolarHBondContact O-N 3.16Å; F470-L472 PolarHBondContact O-N 3.48Å; L472-K474 PolarHBondContact O-N 2.78Å; L472-R475 PolarHBondContact O-N 3.29Å; L472-R475 VanDerWaalsContact O-N 3.15Å; L472-I476 HydrophobicContact CB-CD1 4.42Å; L472-I476 HydrophobicContact CD2-CD1 4.12Å; L472-I476 WeakPolarHBondContact O-CB 3.49Å; L472-I476 PolarHBondContact O-N 3.34Å; L472-L601 HydrophobicContact CD1-CD2 3.98Å; L472-L672 HydrophobicContact CD2-CD2 4.21Å; L472-V679 HydrophobicContact CD2-CG1 4.13Å; L472-F682 HydrophobicContact CD2-CD2 4.33Å; L472-F682 HydrophobicContact CD2-CE2 3.8Å
473M94Very high92.8Very high17 Ų1730.9 Ų30.98%0.08416%0.156CC..Hα-helixtrans-56.9-36.7175.1-72-172.9-80.300112.5V427 F429 C469 F470 I471 L479 L488 F492V427-M473 HydrophobicContact CG1-SD 4.21Å; V427-M473 HydrophobicContact CG2-CE 4.43Å; F429-M473 HydrophobicContact CZ-CE 4.24Å; F429-M473 HydrophobicContact CZ-SD 4.24Å; C469-M473 WeakPolarHBondContact O-CG 3.31Å; C469-M473 PolarHBondContact O-N 3.5Å; F470-M473 HydrophobicContact CB-CE 4.43Å; F470-M473 PolarHBondContact O-N 3.21Å; I471-M473 PolarHBondContact O-N 3.33Å; M473-L479 HydrophobicContact CG-CD1 4.48Å; M473-L488 HydrophobicContact CG-CD2 4.42Å; M473-L488 HydrophobicContact SD-CB 4.19Å; M473-L488 HydrophobicContact SD-CD2 4.26Å; M473-F492 HydrophobicContact CE-CD2 3.89Å
474K92Very high92.7Very high92 Ų9233.5 Ų33.540%0.417%0.174SC..Hα-helixtrans-77.7-31.1177-67.3-66-175.9177.30114D426 F470 I471 L472D426-K474 IonicContact OD1-NZ 3.75Å; D426-K474 WeakPolarHBondContact OD2-CE 3.49Å; D426-K474 IonicContact OD2-NZ 3.9Å; D426-K474 PolarHBondContact OD2-NZ 2.81Å; F470-K474 HydrophobicContact CD2-CG 4.48Å; F470-K474 HydrophobicContact CE2-CD 4.41Å; F470-K474 VanDerWaalsContact CE2-CE 3.42Å; F470-K474 HydrophobicContact CE2-CG 4.08Å; F470-K474 HydrophobicContact CZ-CG 4.11Å; F470-K474 WeakPolarHBondContact O-CG 3.31Å; F470-K474 PolarHBondContact O-N 2.97Å; F470-K474 VanDerWaalsContact O-N 3.11Å; I471-K474 PolarHBondContact O-N 2.91Å; I471-K474 VanDerWaalsContact O-N 3.15Å; L472-K474 PolarHBondContact O-N 2.78Å
475R93Very high92.6Very high94 Ų9437.6 Ų37.636%0.35520%0.196SC..Hα-helixtrans-90.8-22-175.8-63.5-65171.4-166.4-4.3113.5T402 V404 I471 L472 P477 N678 V679T402-R475 PolarHBondContact O-NH2 2.81Å; V404-R475 HydrophobicContact CG2-CG 4.37Å; I471-R475 HydrophobicContact CG2-CG 3.98Å; I471-R475 WeakPolarHBondContact O-CB 3.21Å; I471-R475 VanDerWaalsContact O-CG 3.28Å; I471-R475 WeakPolarHBondContact O-CG 3.29Å; I471-R475 PolarHBondContact O-N 2.68Å; L472-R475 PolarHBondContact O-N 3.29Å; L472-R475 VanDerWaalsContact O-N 3.15Å; R475-P477 VanDerWaalsContact O-CD 3.23Å; R475-P477 WeakPolarHBondContact O-CD 3.17Å; R475-N678 VanDerWaalsContact O-CB 3.28Å; R475-N678 WeakPolarHBondContact O-CB 3.28Å; R475-N678 PolarHBondContact O-ND2 3.12Å; R475-N678 VanDerWaalsContact O-ND2 3.15Å; R475-V679 HydrophobicContact CB-CG1 3.75Å
476I94Very high92.6Very high0 Ų039.1 Ų39.10%020%0.204CC..  trans-115.280.5-179.6-49.9173000108.3L472 Q478 L479 F676 V679L472-I476 HydrophobicContact CB-CD1 4.42Å; L472-I476 HydrophobicContact CD2-CD1 4.12Å; L472-I476 WeakPolarHBondContact O-CB 3.49Å; L472-I476 PolarHBondContact O-N 3.34Å; I476-Q478 HydrophobicContact CG2-CB 4.23Å; I476-Q478 PolarHBondContact O-N 3.47Å; I476-Q478 VanDerWaalsContact O-N 3.08Å; I476-L479 HydrophobicContact CB-CD1 3.89Å; I476-L479 HydrophobicContact CB-CG 3.77Å; I476-L479 HydrophobicContact CD1-CD1 4.26Å; I476-L479 HydrophobicContact CG2-CD1 4.31Å; I476-L479 HydrophobicContact CG2-CD2 4.18Å; I476-L479 HydrophobicContact CG2-CG 3.67Å; I476-L479 WeakPolarHBondContact O-CB 3.44Å; I476-L479 WeakPolarHBondContact O-CG 3.36Å; I476-L479 PolarHBondContact O-N 3.03Å; I476-F676 HydrophobicContact CD1-CB 3.94Å; I476-F676 HydrophobicContact CD1-CD2 3.93Å; I476-F676 HydrophobicContact CD1-CG 3.93Å; I476-F676 HydrophobicContact CG1-CB 4.1Å; I476-F676 HydrophobicContact CG1-CG 4.34Å; I476-F676 HydrophobicContact CG2-CB 4.06Å; I476-F676 HydrophobicContact CG2-CD1 3.28Å; I476-F676 HydrophobicContact CG2-CD2 4.31Å; I476-F676 HydrophobicContact CG2-CE1 3.71Å; I476-F676 HydrophobicContact CG2-CG 3.62Å; I476-F676 HydrophobicContact CG2-CZ 4.37Å; I476-V679 HydrophobicContact CD1-CG1 3.86Å; I476-V679 HydrophobicContact CD1-CG2 3.97Å; I476-V679 HydrophobicContact CG1-CG1 3.54Å; I476-V679 HydrophobicContact CG1-CG2 4.32Å
477P89.3Confident92.5Very high75 Ų7540.5 Ų40.549%0.48721%0.21SC..THydrogen-bonded Turntrans-59.4-22-179.724.7-34.9000113.2R475 L479 C480R475-P477 VanDerWaalsContact O-CD 3.23Å; R475-P477 WeakPolarHBondContact O-CD 3.17Å; P477-L479 PolarHBondContact O-N 2.9Å; P477-C480 PolarHBondContact O-N 3.21Å
478Q91.2Very high92.5Very high70 Ų7041 Ų4133%0.32721%0.213SC..THydrogen-bonded Turntrans-62.8-23.5174.9-60.186.1-14.100112.7I476 C480 Q481 L482 F676I476-Q478 HydrophobicContact CG2-CB 4.23Å; I476-Q478 PolarHBondContact O-N 3.47Å; I476-Q478 VanDerWaalsContact O-N 3.08Å; Q478-C480 VanDerWaalsContact C-N 3.27Å; Q478-C480 PolarHBondContact O-N 3.29Å; Q478-Q481 WeakPolarHBondContact O-CB 3.42Å; Q478-Q481 PolarHBondContact O-N 3.13Å; Q478-L482 WeakPolarHBondContact O-CG 3.19Å; Q478-L482 PolarHBondContact O-N 3.3Å; Q478-F676 HydrophobicContact CB-CE1 4.3Å
479L91.9Very high92.4Very high3 Ų341 Ų412%0.01621%0.213CC..Hα-helixtrans-61.3-36179.3-67.3-178.9000112.4M473 I476 P477 Q481 L482 F483 L488 L601 F676M473-L479 HydrophobicContact CG-CD1 4.48Å; I476-L479 HydrophobicContact CB-CD1 3.89Å; I476-L479 HydrophobicContact CB-CG 3.77Å; I476-L479 HydrophobicContact CD1-CD1 4.26Å; I476-L479 HydrophobicContact CG2-CD1 4.31Å; I476-L479 HydrophobicContact CG2-CD2 4.18Å; I476-L479 HydrophobicContact CG2-CG 3.67Å; I476-L479 WeakPolarHBondContact O-CB 3.44Å; I476-L479 WeakPolarHBondContact O-CG 3.36Å; I476-L479 PolarHBondContact O-N 3.03Å; P477-L479 PolarHBondContact O-N 2.9Å; L479-Q481 PolarHBondContact O-N 2.96Å; L479-L482 PolarHBondContact O-N 2.6Å; L479-F483 HydrophobicContact CD2-CD2 4.05Å; L479-F483 HydrophobicContact CD2-CE2 3.82Å; L479-F483 PolarHBondContact O-N 3.35Å; L479-L488 HydrophobicContact CB-CD2 4.41Å; L479-L601 HydrophobicContact CD1-CD1 4.44Å; L479-L601 HydrophobicContact CD1-CD2 4.3Å; L479-L601 HydrophobicContact CD2-CD1 3.77Å; L479-L601 HydrophobicContact CD2-CD2 4.33Å; L479-F676 HydrophobicContact CD2-CZ 4.29Å
480C86.7Confident92.4Very high88 Ų8840.7 Ų40.760%0.59521%0.211SC*.Hα-helixtrans-70.1-15.6175.7-61.40000113.4P477 Q478P477-C480 PolarHBondContact O-N 3.21Å; Q478-C480 VanDerWaalsContact C-N 3.27Å; Q478-C480 PolarHBondContact O-N 3.29Å
481Q87.8Confident92.5Very high165 Ų16540.9 Ų40.977%0.77121%0.212SC*.Hα-helixtrans-93-31.3174.8-62.5177.8-5.700111.6Q478 L479Q478-Q481 WeakPolarHBondContact O-CB 3.42Å; Q478-Q481 PolarHBondContact O-N 3.13Å; L479-Q481 PolarHBondContact O-N 2.96Å
482L91.6Very high92.6Very high17 Ų1740.8 Ų40.89%0.08921%0.211CC..Hα-helixtrans-83.5-35-179.3-67.2170.9000112.6Q478 L479 I586 P588 H594 L597 F676Q478-L482 WeakPolarHBondContact O-CG 3.19Å; Q478-L482 PolarHBondContact O-N 3.3Å; L479-L482 PolarHBondContact O-N 2.6Å; L482-I586 HydrophobicContact CD1-CD1 4.42Å; L482-I586 HydrophobicContact CD1-CG2 4.36Å; L482-I586 HydrophobicContact CD2-CG2 3.71Å; L482-P588 HydrophobicContact CD2-CB 3.9Å; L482-P588 HydrophobicContact CD2-CG 3.88Å; L482-H594 PolarHBondContact O-CE1 3.04Å; L482-H594 PolarHBondContact O-ND1 2.71Å; L482-L597 HydrophobicContact CD1-CD1 4.18Å; L482-F676 HydrophobicContact CD1-CE1 4.08Å; L482-F676 HydrophobicContact CD1-CZ 4.05Å
483F92.6Very high92.6Very high7 Ų740.7 Ų40.73%0.03121%0.211CC..SBendtrans-119.2141.8-175.7-61.4-58.4000111.7L479 E487 L488 H594 L597 R598 L601L479-F483 HydrophobicContact CD2-CD2 4.05Å; L479-F483 HydrophobicContact CD2-CE2 3.82Å; L479-F483 PolarHBondContact O-N 3.35Å; F483-E487 HydrophobicContact CB-CB 3.99Å; F483-E487 HydrophobicContact CD1-CB 4.34Å; F483-E487 HydrophobicContact CG-CB 4.48Å; F483-L488 HydrophobicContact CB-CD2 3.87Å; F483-L488 HydrophobicContact CB-CG 3.9Å; F483-L488 HydrophobicContact CD2-CD2 4.06Å; F483-L488 HydrophobicContact CG-CD2 4.34Å; F483-H594 HydrophobicContact CE1-CB 4.28Å; F483-L597 HydrophobicContact CE2-CB 4.48Å; F483-L597 HydrophobicContact CZ-CB 3.73Å; F483-R598 HydrophobicContact CD1-CG 4.1Å; F483-R598 HydrophobicContact CE1-CG 3.38Å; F483-R598 HydrophobicContact CZ-CG 3.66Å; F483-L601 HydrophobicContact CD2-CD1 4.38Å; F483-L601 HydrophobicContact CE2-CD1 3.57Å; F483-L601 HydrophobicContact CZ-CD1 4.24Å
484S91.4Very high92.7Very high55 Ų5539.9 Ų39.939%0.38521%0.207SC..  trans-66.5159167.963.90000111.7I486 E487 L488S484-I486 PolarHBondContact O-N 2.96Å; S484-E487 WeakPolarHBondContact CB-OE2 2.98Å; S484-E487 PolarHBondContact N-OE2 2.97Å; S484-E487 WeakPolarHBondContact O-CB 3.39Å; S484-E487 PolarHBondContact O-N 2.99Å; S484-E487 WeakPolarHBondContact OG-CG 3.34Å; S484-E487 PolarHBondContact OG-N 2.96Å; S484-E487 PolarHBondContact OG-OE2 3.39Å; S484-L488 PolarHBondContact O-N 3.38Å; S484-L488 VanDerWaalsContact O-N 3.07Å
485D91.8Very high92.8Very high94 Ų9435.5 Ų35.550%0.50319%0.188SC..Hα-helixtrans-51.1-43.1173.2-76.58.4000111.7S432 E487 L488 I489S432-D485 PolarHBondContact OG-OD2 3.32Å; D485-E487 PolarHBondContact O-N 3.41Å; D485-L488 PolarHBondContact O-N 2.98Å; D485-I489 HydrophobicContact CB-CD1 4.49Å; D485-I489 WeakPolarHBondContact O-CB 3.28Å; D485-I489 VanDerWaalsContact O-CD1 3.26Å; D485-I489 WeakPolarHBondContact O-CD1 3.48Å; D485-I489 WeakPolarHBondContact O-CG1 3.34Å; D485-I489 PolarHBondContact O-N 3.48Å
486I93Very high92.9Very high32 Ų3231 Ų3116%0.16417%0.171CC..Hα-helixtrans-62.7-43.4-179.5-65.9165.9000110.4S484 I489 S490 M547 C551S484-I486 PolarHBondContact O-N 2.96Å; I486-I489 PolarHBondContact O-N 3.22Å; I486-S490 WeakPolarHBondContact O-CB 3.4Å; I486-S490 PolarHBondContact O-N 3.39Å; I486-S490 PolarHBondContact O-OG 2.89Å; I486-M547 HydrophobicContact CD1-CE 4.03Å; I486-M547 HydrophobicContact CG1-CE 4.17Å; I486-C551 HydrophobicContact CD1-CB 3.58Å; I486-C551 WeakPolarHBondContact CD1-SG 3.48Å
487E93.6Very high92.9Very high29 Ų2931 Ų3114%0.13617%0.171CC..Hα-helixtrans-62.1-46.4177-76.4166.1112.700112.2F483 S484 D485 I489 S490 I491 I558F483-E487 HydrophobicContact CB-CB 3.99Å; F483-E487 HydrophobicContact CD1-CB 4.34Å; F483-E487 HydrophobicContact CG-CB 4.48Å; S484-E487 WeakPolarHBondContact CB-OE2 2.98Å; S484-E487 PolarHBondContact N-OE2 2.97Å; S484-E487 WeakPolarHBondContact O-CB 3.39Å; S484-E487 PolarHBondContact O-N 2.99Å; S484-E487 WeakPolarHBondContact OG-CG 3.34Å; S484-E487 PolarHBondContact OG-N 2.96Å; S484-E487 PolarHBondContact OG-OE2 3.39Å; D485-E487 PolarHBondContact O-N 3.41Å; E487-I489 VanDerWaalsContact C-N 3.34Å; E487-I489 PolarHBondContact O-N 3.33Å; E487-S490 PolarHBondContact O-N 3.43Å; E487-I491 WeakPolarHBondContact O-CD1 3.45Å; E487-I491 VanDerWaalsContact O-CG1 3.23Å; E487-I491 WeakPolarHBondContact O-CG1 3.28Å; E487-I491 PolarHBondContact O-N 2.97Å; E487-I558 HydrophobicContact CB-CD1 4.29Å; E487-I558 HydrophobicContact CG-CD1 3.46Å; E487-I558 VanDerWaalsContact CG-CD1 3.46Å; E487-I558 HydrophobicContact CG-CG1 4.45Å
488L94.4Very high92.8Very high10 Ų1027.5 Ų27.55%0.05215%0.148CC..Hα-helixtrans-62.5-42178.3-67.3177.3000111.7F429 M473 L479 F483 S484 D485 I491 F492F429-L488 HydrophobicContact CE1-CB 4.4Å; F429-L488 HydrophobicContact CZ-CB 4.49Å; M473-L488 HydrophobicContact CG-CD2 4.42Å; M473-L488 HydrophobicContact SD-CB 4.19Å; M473-L488 HydrophobicContact SD-CD2 4.26Å; L479-L488 HydrophobicContact CB-CD2 4.41Å; F483-L488 HydrophobicContact CB-CD2 3.87Å; F483-L488 HydrophobicContact CB-CG 3.9Å; F483-L488 HydrophobicContact CD2-CD2 4.06Å; F483-L488 HydrophobicContact CG-CD2 4.34Å; S484-L488 PolarHBondContact O-N 3.38Å; S484-L488 VanDerWaalsContact O-N 3.07Å; D485-L488 PolarHBondContact O-N 2.98Å; L488-I491 PolarHBondContact O-N 2.86Å; L488-F492 WeakPolarHBondContact O-CB 3.01Å; L488-F492 PolarHBondContact O-N 3.41Å
489I94.6Very high92.4Very high2 Ų224.2 Ų24.21%0.0113%0.133CC..Hα-helixtrans-58.7-49.6173.3-71.8161.1000110.4F429 L433 D485 I486 E487 I491 F492 I493F429-I489 HydrophobicContact CB-CG1 4.18Å; F429-I489 HydrophobicContact CD1-CB 4.47Å; F429-I489 HydrophobicContact CD1-CD1 3.91Å; F429-I489 HydrophobicContact CD1-CG1 3.2Å; F429-I489 HydrophobicContact CD2-CG1 4.07Å; F429-I489 HydrophobicContact CE1-CB 4.33Å; F429-I489 HydrophobicContact CE1-CD1 4.38Å; F429-I489 HydrophobicContact CE1-CG1 3.35Å; F429-I489 HydrophobicContact CE2-CG1 4.22Å; F429-I489 HydrophobicContact CG-CD1 4.34Å; F429-I489 HydrophobicContact CG-CG1 3.57Å; F429-I489 HydrophobicContact CZ-CB 4.44Å; F429-I489 HydrophobicContact CZ-CG1 3.87Å; L433-I489 HydrophobicContact CD1-CD1 4.15Å; L433-I489 HydrophobicContact CD1-CG2 3.79Å; L433-I489 HydrophobicContact CD2-CD1 3.94Å; L433-I489 HydrophobicContact CG-CD1 3.72Å; L433-I489 HydrophobicContact CG-CG2 4.47Å; D485-I489 HydrophobicContact CB-CD1 4.49Å; D485-I489 WeakPolarHBondContact O-CB 3.28Å; D485-I489 VanDerWaalsContact O-CD1 3.26Å; D485-I489 WeakPolarHBondContact O-CD1 3.48Å; D485-I489 WeakPolarHBondContact O-CG1 3.34Å; D485-I489 PolarHBondContact O-N 3.48Å; I486-I489 PolarHBondContact O-N 3.22Å; E487-I489 VanDerWaalsContact C-N 3.34Å; E487-I489 PolarHBondContact O-N 3.33Å; I489-I491 PolarHBondContact O-N 2.74Å; I489-F492 PolarHBondContact O-N 3.37Å; I489-I493 HydrophobicContact CG2-CD1 3.65Å; I489-I493 HydrophobicContact CG2-CG1 4.36Å; I489-I493 VanDerWaalsContact O-CG1 3.31Å; I489-I493 WeakPolarHBondContact O-CG1 3.41Å; I489-I493 PolarHBondContact O-N 3.49Å
490S95.4Very high92Very high0 Ų024.1 Ų24.10%013%0.132CC..Hα-helixtrans-62.9-40.5-178.2-65.60000112.3I486 E487 I493 A494 S555 I558I486-S490 WeakPolarHBondContact O-CB 3.4Å; I486-S490 PolarHBondContact O-N 3.39Å; I486-S490 PolarHBondContact O-OG 2.89Å; E487-S490 PolarHBondContact O-N 3.43Å; S490-I493 PolarHBondContact O-N 2.85Å; S490-A494 WeakPolarHBondContact O-CB 3.46Å; S490-A494 PolarHBondContact O-N 3.48Å; S490-S555 VanDerWaalsContact OG-CA 3.23Å; S490-S555 WeakPolarHBondContact OG-CA 3.26Å; S490-S555 WeakPolarHBondContact OG-CB 3.33Å; S490-S555 PolarHBondContact OG-O 2.86Å; S490-S555 PolarHBondContact OG-OG 3.36Å; S490-I558 VanDerWaalsContact CB-CG2 3.44Å
491I95.3Very high91.6Very high4 Ų421.2 Ų21.22%0.02111%0.111CC..Hα-helixtrans-65.1-42.6175.3-64.6161.2000110.3E487 L488 I489 A494 C495 I558 R598E487-I491 WeakPolarHBondContact O-CD1 3.45Å; E487-I491 VanDerWaalsContact O-CG1 3.23Å; E487-I491 WeakPolarHBondContact O-CG1 3.28Å; E487-I491 PolarHBondContact O-N 2.97Å; L488-I491 PolarHBondContact O-N 2.86Å; I489-I491 PolarHBondContact O-N 2.74Å; I491-A494 PolarHBondContact O-N 3.4Å; I491-C495 PolarHBondContact O-N 2.86Å; I491-C495 PolarHBondContact O-SG 2.75Å; I491-I558 HydrophobicContact CG1-CG2 4.41Å; I491-R598 HydrophobicContact CD1-CB 4.43Å; I491-R598 HydrophobicContact CD1-CG 3.82Å
492F96.3Very high91Very high0 Ų013.4 Ų13.40%08%0.075CC..Hα-helixtrans-63.7-43.9176.8-175.5-88.7000112.2I423 F424 F429 A466 C469 F470 M473 L488 I489 A494 C495 I496I423-F492 HydrophobicContact CB-CZ 4.32Å; I423-F492 HydrophobicContact CD1-CE2 4.42Å; I423-F492 HydrophobicContact CD1-CZ 4.31Å; I423-F492 HydrophobicContact CG2-CD2 4.36Å; I423-F492 HydrophobicContact CG2-CE1 4.48Å; I423-F492 HydrophobicContact CG2-CE2 3.52Å; I423-F492 HydrophobicContact CG2-CZ 3.59Å; F424-F492 HydrophobicContact CD2-CE1 4.1Å; F424-F492 HydrophobicContact CE2-CD1 4.16Å; F424-F492 AromaticContact CE2-CE1 3.56Å; F424-F492 HydrophobicContact CE2-CE1 3.56Å; F424-F492 HydrophobicContact CZ-CD1 4.36Å; F424-F492 HydrophobicContact CZ-CE1 4.19Å; F429-F492 HydrophobicContact CE2-CB 3.75Å; F429-F492 HydrophobicContact CE2-CD1 4.02Å; F429-F492 HydrophobicContact CE2-CD2 4.4Å; F429-F492 AromaticContact CE2-CG 3.78Å; F429-F492 HydrophobicContact CE2-CG 3.78Å; F429-F492 HydrophobicContact CZ-CB 4.17Å; A466-F492 HydrophobicContact CB-CD2 4.48Å; A466-F492 HydrophobicContact CB-CE2 3.88Å; A466-F492 HydrophobicContact CB-CZ 3.92Å; A466-F492 VanDerWaalsContact O-CE2 3.26Å; A466-F492 WeakPolarHBondContact O-CE2 3.41Å; C469-F492 HydrophobicContact CB-CD2 4.41Å; F470-F492 HydrophobicContact CB-CE2 4.44Å; M473-F492 HydrophobicContact CE-CD2 3.89Å; L488-F492 WeakPolarHBondContact O-CB 3.01Å; L488-F492 PolarHBondContact O-N 3.41Å; I489-F492 PolarHBondContact O-N 3.37Å; F492-A494 VanDerWaalsContact C-N 3.33Å; F492-A494 PolarHBondContact O-N 3.02Å; F492-C495 WeakPolarHBondContact O-CB 3.36Å; F492-C495 PolarHBondContact O-N 3.29Å; F492-I496 PolarHBondContact O-N 3Å
493I95.6Very high89.9Confident0 Ų016.7 Ų16.70%09%0.089CC..Hα-helixtrans-60-45174-68.5167.6000110F443 I489 S490 C495 I496 C497 I532 I543 I559F443-I493 HydrophobicContact CZ-CG2 4.46Å; I489-I493 HydrophobicContact CG2-CD1 3.65Å; I489-I493 HydrophobicContact CG2-CG1 4.36Å; I489-I493 VanDerWaalsContact O-CG1 3.31Å; I489-I493 WeakPolarHBondContact O-CG1 3.41Å; I489-I493 PolarHBondContact O-N 3.49Å; S490-I493 PolarHBondContact O-N 2.85Å; I493-C495 VanDerWaalsContact C-N 3.32Å; I493-C495 PolarHBondContact O-N 3.45Å; I493-I496 WeakPolarHBondContact O-CG2 3.44Å; I493-I496 PolarHBondContact O-N 2.99Å; I493-C497 VanDerWaalsContact O-CB 3.31Å; I493-C497 WeakPolarHBondContact O-CB 3.36Å; I493-C497 PolarHBondContact O-N 3.19Å; I493-C497 PolarHBondContact O-SG 3.13Å; I493-I532 HydrophobicContact CG2-CG2 4.49Å; I493-I543 HydrophobicContact CD1-CD1 3.73Å; I493-I543 HydrophobicContact CG1-CD1 4.36Å; I493-I559 HydrophobicContact CB-CD1 4.23Å; I493-I559 HydrophobicContact CB-CG1 4.38Å; I493-I559 HydrophobicContact CD1-CD1 4.33Å; I493-I559 HydrophobicContact CG2-CD1 3.8Å; I493-I559 HydrophobicContact CG2-CG1 4.21Å
494A95Very high88.4Confident0 Ų016.9 Ų16.90%09%0.093CC..Hα-helixtrans-59.7-41.6175.500000112S490 I491 F492 C497 H498 A562 L563 M602S490-A494 WeakPolarHBondContact O-CB 3.46Å; S490-A494 PolarHBondContact O-N 3.48Å; I491-A494 PolarHBondContact O-N 3.4Å; F492-A494 VanDerWaalsContact C-N 3.33Å; F492-A494 PolarHBondContact O-N 3.02Å; A494-C497 PolarHBondContact O-N 3.3Å; A494-H498 WeakPolarHBondContact O-CA 3.29Å; A494-H498 WeakPolarHBondContact O-CB 3.36Å; A494-H498 PolarHBondContact O-N 3.15Å; A494-A562 HydrophobicContact CB-CB 3.56Å; A494-L563 HydrophobicContact CB-CD2 4.26Å; A494-L563 HydrophobicContact CB-CG 4.13Å; A494-M602 HydrophobicContact CB-SD 4.25Å
495C95.2Very high86.8Confident0 Ų016.2 Ų16.20%09%0.085CC..Hα-helixtrans-60.4-48.4177.4-70.30000112.6T465 A466 C469 I491 F492 I493 C497 H498 M602T465-C495 HydrophobicContact CG2-CB 4.03Å; A466-C495 HydrophobicContact CB-CB 4.18Å; C469-C495 HydrophobicContact CB-CB 4.41Å; I491-C495 PolarHBondContact O-N 2.86Å; I491-C495 PolarHBondContact O-SG 2.75Å; F492-C495 WeakPolarHBondContact O-CB 3.36Å; F492-C495 PolarHBondContact O-N 3.29Å; I493-C495 VanDerWaalsContact C-N 3.32Å; I493-C495 PolarHBondContact O-N 3.45Å; C495-C497 VanDerWaalsContact C-N 3.29Å; C495-C497 PolarHBondContact O-N 2.87Å; C495-H498 PolarHBondContact O-ND1 3.34Å; C495-M602 VanDerWaalsContact SG-SD 3.69Å
496I94.9Very high85.1Confident0 Ų012.8 Ų12.80%07%0.069CC..Hα-helixtrans-76.3-16.9-178-162.1167.2000113L447 H451 W459 A466 F492 I493L447-I496 HydrophobicContact CD1-CG1 4.48Å; L447-I496 HydrophobicContact CD1-CG2 3.8Å; H451-I496 PolarHBondContact CE1-O 3.29Å; H451-I496 PolarHBondContact NE2-O 2.91Å; W459-I496 HydrophobicContact CH2-CD1 3.63Å; W459-I496 HydrophobicContact CH2-CG1 3.89Å; W459-I496 HydrophobicContact CZ2-CD1 4.43Å; W459-I496 HydrophobicContact CZ3-CD1 4.14Å; W459-I496 HydrophobicContact CZ3-CG1 3.84Å; A466-I496 HydrophobicContact CB-CB 3.75Å; A466-I496 HydrophobicContact CB-CD1 4.47Å; A466-I496 HydrophobicContact CB-CG1 4.2Å; F492-I496 PolarHBondContact O-N 3Å; I493-I496 WeakPolarHBondContact O-CG2 3.44Å; I493-I496 PolarHBondContact O-N 2.99Å
497C92.6Very high83.4Confident0 Ų015.1 Ų15.10%08%0.082CC..Hα-helixtrans-107.23.4179.9-55.60000113.9L447 I493 A494 C495 G499 I500 I532L447-C497 WeakPolarHBondContact CD2-SG 3.2Å; I493-C497 VanDerWaalsContact O-CB 3.31Å; I493-C497 WeakPolarHBondContact O-CB 3.36Å; I493-C497 PolarHBondContact O-N 3.19Å; I493-C497 PolarHBondContact O-SG 3.13Å; A494-C497 PolarHBondContact O-N 3.3Å; C495-C497 VanDerWaalsContact C-N 3.29Å; C495-C497 PolarHBondContact O-N 2.87Å; C497-G499 PolarHBondContact O-N 3Å; C497-G499 VanDerWaalsContact O-N 3.13Å; C497-I500 WeakPolarHBondContact O-CB 3.45Å; C497-I500 VanDerWaalsContact O-CG2 3.29Å; C497-I500 WeakPolarHBondContact O-CG2 3.5Å; C497-I500 PolarHBondContact O-N 3.27Å; C497-I500 VanDerWaalsContact O-N 3.15Å; C497-I532 HydrophobicContact CB-CD1 3.18Å; C497-I532 HydrophobicContact CB-CG1 3.48Å; C497-I532 VanDerWaalsContact CB-CG1 3.48Å
498H88.4Confident81.7Confident1 Ų114.4 Ų14.41%0.0058%0.078CC..THydrogen-bonded Turntrans-62.6-24.8-171.882.1-88.1000113.9H461 T465 A494 C495 N528 L563 M602 Y606H461-H498 AromaticContact CD2-CE1 3.67Å; H461-H498 AromaticContact CD2-NE2 3.4Å; H461-H498 PolarHBondContact CD2-NE2 2.9Å; H461-H498 AromaticContact NE2-CE1 3.73Å; H461-H498 AromaticContact NE2-NE2 3.32Å; H461-H498 PolarHBondContact NE2-NE2 3.23Å; T465-H498 PolarHBondContact OG1-CE1 2.89Å; A494-H498 WeakPolarHBondContact O-CA 3.29Å; A494-H498 WeakPolarHBondContact O-CB 3.36Å; A494-H498 PolarHBondContact O-N 3.15Å; C495-H498 PolarHBondContact O-ND1 3.34Å; H498-N528 PolarHBondContact O-ND2 2.99Å; H498-L563 HydrophobicContact CB-CD2 4.15Å; H498-M602 HydrophobicContact CB-CE 3.81Å; H498-Y606 AromaticContact CD2-CD2 3.64Å; H498-Y606 AromaticContact CD2-CE2 3.73Å; H498-Y606 AromaticContact NE2-CD2 3.71Å; H498-Y606 AromaticContact NE2-CE2 3.69Å
499G81.6Confident80.1Confident2 Ų214 Ų142%0.0218%0.076CC..THydrogen-bonded Turntrans-109.115.9179.800000114H451 C497 D501 Y502H451-G499 PolarHBondContact CD2-O 3.39Å; C497-G499 PolarHBondContact O-N 3Å; C497-G499 VanDerWaalsContact O-N 3.13Å; G499-D501 PolarHBondContact O-N 3.27Å; G499-Y502 VanDerWaalsContact O-CB 3.26Å; G499-Y502 WeakPolarHBondContact O-CB 3.26Å; G499-Y502 PolarHBondContact O-N 3.08Å
500I84.3Confident78.2Confident0 Ų014.5 Ų14.50%08%0.078CC..THydrogen-bonded Turntrans-64.3134.5-176.2-159.3168000111.4L447 S450 C497 Y502 N528 H531 I532 I535L447-I500 HydrophobicContact CD2-CD1 3.96Å; S450-I500 VanDerWaalsContact CB-CG1 3.42Å; C497-I500 WeakPolarHBondContact O-CB 3.45Å; C497-I500 VanDerWaalsContact O-CG2 3.29Å; C497-I500 WeakPolarHBondContact O-CG2 3.5Å; C497-I500 PolarHBondContact O-N 3.27Å; C497-I500 VanDerWaalsContact O-N 3.15Å; I500-Y502 PolarHBondContact O-N 3.05Å; I500-N528 HydrophobicContact CG2-CB 3.72Å; I500-N528 PolarHBondContact O-OD1 3.4Å; I500-H531 VanDerWaalsContact CD1-CD2 3.48Å; I500-H531 WeakPolarHBondContact CD1-CD2 3.29Å; I500-H531 HydrophobicContact CG2-CB 4.04Å; I500-I532 HydrophobicContact CD1-CG1 4.33Å; I500-I532 HydrophobicContact CG2-CG1 4.25Å; I500-I535 HydrophobicContact CD1-CD1 3.62Å
501D78.4Confident75.8Confident27 Ų2716.1 Ų16.114%0.1449%0.087CC..THydrogen-bonded Turntrans49.527.4-175.7-164.440.1000115.2S450 R452 G499 H503 H527S450-D501 PolarHBondContact O-N 3.23Å; R452-D501 IonicContact CZ-OD1 2.92Å; R452-D501 IonicContact NE-OD1 2.66Å; R452-D501 PolarHBondContact NE-OD1 3.18Å; R452-D501 IonicContact NH2-OD1 3.46Å; R452-D501 PolarHBondContact NH2-OD1 3.18Å; G499-D501 PolarHBondContact O-N 3.27Å; D501-H503 PolarHBondContact O-N 3.41Å; D501-H503 PolarHBondContact O-ND1 3.21Å; D501-H527 IonicContact OD2-CD2 3.75Å; D501-H527 IonicContact OD2-CE1 3.91Å; D501-H527 PolarHBondContact OD2-CE1 3.21Å; D501-H527 IonicContact OD2-NE2 2.88Å; D501-H527 PolarHBondContact OD2-NE2 2.79Å
502Y75.2Confident73.6Confident2 Ų216.3 Ų16.31%0.0089%0.088CC..  trans-67123.3171-174.9-87.1000109.1R452 L454 H457 G499 I500 Q508 L509 V512 E627 F631R452-Y502 VanDerWaalsContact CD-O 3.24Å; R452-Y502 WeakPolarHBondContact CD-O 3.32Å; R452-Y502 WeakPolarHBondContact CG-O 3.45Å; L454-Y502 HydrophobicContact CD1-CD1 3.45Å; L454-Y502 VanDerWaalsContact CD1-CD1 3.45Å; L454-Y502 HydrophobicContact CD1-CE1 3.96Å; L454-Y502 VanDerWaalsContact CD1-O 3.29Å; L454-Y502 WeakPolarHBondContact CD1-O 3.35Å; H457-Y502 HydrophobicContact CB-CD1 3.33Å; H457-Y502 HydrophobicContact CB-CE1 3.74Å; H457-Y502 HydrophobicContact CB-CG 3.89Å; H457-Y502 AromaticContact CE1-CZ 3.8Å; H457-Y502 AromaticContact CG-CD1 3.61Å; H457-Y502 AromaticContact CG-CE1 3.58Å; H457-Y502 AromaticContact CG-CZ 3.98Å; H457-Y502 AromaticContact ND1-CD1 3.85Å; H457-Y502 AromaticContact ND1-CE1 3.31Å; H457-Y502 VanDerWaalsContact ND1-CE1 3.31Å; H457-Y502 WeakPolarHBondContact ND1-CE1 3.46Å; H457-Y502 AromaticContact ND1-CZ 3.55Å; G499-Y502 VanDerWaalsContact O-CB 3.26Å; G499-Y502 WeakPolarHBondContact O-CB 3.26Å; G499-Y502 PolarHBondContact O-N 3.08Å; I500-Y502 PolarHBondContact O-N 3.05Å; Y502-Q508 HydrophobicContact CD2-CB 4.11Å; Y502-Q508 HydrophobicContact CE2-CB 3.57Å; Y502-Q508 HydrophobicContact CE2-CG 4.49Å; Y502-L509 VanDerWaalsContact OH-CD2 3.23Å; Y502-L509 WeakPolarHBondContact OH-CD2 3.36Å; Y502-V512 HydrophobicContact CD2-CG2 3.87Å; Y502-V512 HydrophobicContact CE2-CB 4.46Å; Y502-V512 HydrophobicContact CE2-CG2 3.59Å; Y502-E627 WeakPolarHBondContact CE1-OE1 3.49Å; Y502-F631 HydrophobicContact CE1-CE2 4.18Å; Y502-F631 HydrophobicContact CE1-CZ 4.2Å
503H68.9Low71.5Confident85 Ų8516.5 Ų16.539%0.3949%0.09SC..  trans-126.21.1-174.359.6-96000113.4D501 N505 Q508D501-H503 PolarHBondContact O-N 3.41Å; D501-H503 PolarHBondContact O-ND1 3.21Å; H503-N505 PolarHBondContact NE2-ND2 3Å; H503-Q508 PolarHBondContact CE1-NE2 2.99Å; H503-Q508 PolarHBondContact ND1-NE2 3.38Å; H503-Q508 VanDerWaalsContact ND1-NE2 3.16Å
504G59.9Low69.7Low11 Ų1118 Ų1811%0.11310%0.097CC..  trans76.483.5164.700000115F631G504-F631 VanDerWaalsContact O-CD1 3.26Å; G504-F631 WeakPolarHBondContact O-CD1 3.4Å; G504-F631 WeakPolarHBondContact O-CE1 3.25Å
505N59Low67.8Low42 Ų4218.8 Ų18.823%0.22510%0.101CC..  trans-134165.8168.767.141.7000109.8H503 D507 Q508 L509H503-N505 PolarHBondContact NE2-ND2 3Å; N505-D507 PolarHBondContact O-N 2.88Å; N505-D507 VanDerWaalsContact O-N 3.09Å; N505-D507 WeakPolarHBondContact OD1-CA 3.32Å; N505-D507 WeakPolarHBondContact OD1-CB 3.38Å; N505-D507 PolarHBondContact OD1-N 2.93Å; N505-Q508 PolarHBondContact O-N 3.46Å; N505-Q508 WeakPolarHBondContact OD1-CG 3.38Å; N505-Q508 PolarHBondContact OD1-N 2.9Å; N505-L509 PolarHBondContact O-N 3.47Å
506S56.1Low65.7Low22 Ų2223.7 Ų23.715%0.15413%0.133CC..Hα-helixtrans-56.4-26.9-178.3-62.20000113.6Q510S506-Q510 WeakPolarHBondContact O-CG 3.49Å; S506-Q510 PolarHBondContact O-N 3.32Å; S506-Q510 PolarHBondContact O-NE2 3.01Å; S506-Q510 VanDerWaalsContact O-NE2 3.11Å
507D57Low63.5Low81 Ų8126.4 Ų26.443%0.43315%0.147SC..Hα-helixtrans-77.7-41.8177.4-53.6-26.2000109.9N505 Q510 L511N505-D507 PolarHBondContact O-N 2.88Å; N505-D507 VanDerWaalsContact O-N 3.09Å; N505-D507 WeakPolarHBondContact OD1-CA 3.32Å; N505-D507 WeakPolarHBondContact OD1-CB 3.38Å; N505-D507 PolarHBondContact OD1-N 2.93Å; D507-Q510 WeakPolarHBondContact O-CB 3.29Å; D507-Q510 PolarHBondContact O-N 3.23Å; D507-L511 WeakPolarHBondContact O-CB 3.3Å; D507-L511 WeakPolarHBondContact O-CG 3.44Å; D507-L511 PolarHBondContact O-N 3.19Å
508Q57.9Low61.4Low14 Ų1429.2 Ų29.27%0.06517%0.167CC..Hα-helixtrans-65.5-38.6176.4-74.2-168.9-25.900112.9Y502 H503 N505 Q510 L511 V512Y502-Q508 HydrophobicContact CD2-CB 4.11Å; Y502-Q508 HydrophobicContact CE2-CB 3.57Å; Y502-Q508 HydrophobicContact CE2-CG 4.49Å; H503-Q508 PolarHBondContact CE1-NE2 2.99Å; H503-Q508 PolarHBondContact ND1-NE2 3.38Å; H503-Q508 VanDerWaalsContact ND1-NE2 3.16Å; N505-Q508 PolarHBondContact O-N 3.46Å; N505-Q508 WeakPolarHBondContact OD1-CG 3.38Å; N505-Q508 PolarHBondContact OD1-N 2.9Å; Q508-Q510 VanDerWaalsContact C-N 3.26Å; Q508-Q510 PolarHBondContact O-N 3.04Å; Q508-L511 HydrophobicContact CG-CD1 4.47Å; Q508-L511 CarbonylContact O-C 3.54Å; Q508-L511 PolarHBondContact O-N 3.38Å; Q508-L511 VanDerWaalsContact O-N 3.13Å; Q508-V512 WeakPolarHBondContact O-CB 3.28Å; Q508-V512 VanDerWaalsContact O-CG2 3.31Å; Q508-V512 WeakPolarHBondContact O-CG2 3.12Å; Q508-V512 PolarHBondContact O-N 3.19Å
509L60.2Low59.3Low1 Ų137 Ų371%0.00521%0.208CC..Hα-helixtrans-62.4-34172.8-71.5166.4000112.1Y502 N505 G513 E514 I515 L628 F631 M646Y502-L509 VanDerWaalsContact OH-CD2 3.23Å; Y502-L509 WeakPolarHBondContact OH-CD2 3.36Å; N505-L509 PolarHBondContact O-N 3.47Å; L509-G513 PolarHBondContact O-N 2.99Å; L509-E514 VanDerWaalsContact CD2-OE2 3.27Å; L509-E514 WeakPolarHBondContact CD2-OE2 3.49Å; L509-E514 PolarHBondContact O-N 3.23Å; L509-I515 HydrophobicContact CB-CD1 3.89Å; L509-I515 HydrophobicContact CB-CG1 4.17Å; L509-I515 HydrophobicContact CD1-CD1 4.03Å; L509-I515 PolarHBondContact O-N 2.86Å; L509-L628 HydrophobicContact CD1-CD1 3.73Å; L509-L628 HydrophobicContact CD2-CD1 3.89Å; L509-L628 HydrophobicContact CG-CD1 4.45Å; L509-F631 HydrophobicContact CD1-CD2 3.97Å; L509-F631 HydrophobicContact CD2-CD2 4.25Å; L509-F631 HydrophobicContact CD2-CE2 4.4Å; L509-F631 HydrophobicContact CG-CD2 4.35Å; L509-M646 HydrophobicContact CD1-CE 3.69Å; L509-M646 HydrophobicContact CD1-SD 4.3Å
510Q55.7Low57.4Low12 Ų1243.8 Ų43.86%0.05624%0.244CC..Hα-helixtrans-73.3-39.7171.9-68.4172.35900111.8S506 D507 Q508 V512 G513 I515 L517 S518S506-Q510 WeakPolarHBondContact O-CG 3.49Å; S506-Q510 PolarHBondContact O-N 3.32Å; S506-Q510 PolarHBondContact O-NE2 3.01Å; S506-Q510 VanDerWaalsContact O-NE2 3.11Å; D507-Q510 WeakPolarHBondContact O-CB 3.29Å; D507-Q510 PolarHBondContact O-N 3.23Å; Q508-Q510 VanDerWaalsContact C-N 3.26Å; Q508-Q510 PolarHBondContact O-N 3.04Å; Q510-V512 VanDerWaalsContact C-N 3.29Å; Q510-V512 PolarHBondContact O-N 2.9Å; Q510-G513 PolarHBondContact O-N 3.39Å; Q510-I515 WeakPolarHBondContact CA-O 3.23Å; Q510-L517 HydrophobicContact CB-CD2 3.75Å; Q510-L517 HydrophobicContact CB-CG 4.42Å; Q510-S518 VanDerWaalsContact OE1-N 3.15Å
511L45Very low55.5Low35 Ų3546.9 Ų46.918%0.18326%0.261CS..Hα-helixtrans-68-27.3179.7-72165.2000113.2D507 Q508 G513 F524 R567D507-L511 WeakPolarHBondContact O-CB 3.3Å; D507-L511 WeakPolarHBondContact O-CG 3.44Å; D507-L511 PolarHBondContact O-N 3.19Å; Q508-L511 HydrophobicContact CG-CD1 4.47Å; Q508-L511 CarbonylContact O-C 3.54Å; Q508-L511 PolarHBondContact O-N 3.38Å; Q508-L511 VanDerWaalsContact O-N 3.13Å; L511-G513 VanDerWaalsContact C-N 3.31Å; L511-F524 HydrophobicContact CD1-CD1 4.41Å; L511-F524 HydrophobicContact CD2-CB 3.96Å; L511-R567 VanDerWaalsContact O-CG 3.24Å; L511-R567 WeakPolarHBondContact O-CG 3.47Å
512V49.4Very low53.7Low7 Ų753 Ų534%0.04229%0.292CS..THydrogen-bonded Turntrans-88.5-6.5174.5176.30000111.1Y502 Q508 Q510 E514 Y606Y502-V512 HydrophobicContact CD2-CG2 3.87Å; Y502-V512 HydrophobicContact CE2-CB 4.46Å; Y502-V512 HydrophobicContact CE2-CG2 3.59Å; Q508-V512 WeakPolarHBondContact O-CB 3.28Å; Q508-V512 VanDerWaalsContact O-CG2 3.31Å; Q508-V512 WeakPolarHBondContact O-CG2 3.12Å; Q508-V512 PolarHBondContact O-N 3.19Å; Q510-V512 VanDerWaalsContact C-N 3.29Å; Q510-V512 PolarHBondContact O-N 2.9Å; V512-E514 HydrophobicContact CG1-CG 4.16Å; V512-Y606 HydrophobicContact CG1-CE1 4.32Å; V512-Y606 HydrophobicContact CG1-CE2 3.82Å; V512-Y606 VanDerWaalsContact CG1-CZ 3.41Å; V512-Y606 WeakPolarHBondContact CG1-OH 3.37Å
513G51.3Low52Low4 Ų460.4 Ų60.44%0.04133%0.332CS..THydrogen-bonded Turntrans83.413.2172.100000114.5L509 Q510 L511 L568L509-G513 PolarHBondContact O-N 2.99Å; Q510-G513 PolarHBondContact O-N 3.39Å; L511-G513 VanDerWaalsContact C-N 3.31Å; G513-L568 WeakPolarHBondContact O-CB 3.28Å; G513-L568 WeakPolarHBondContact O-CD2 3.22Å
514E57.3Low51Low32 Ų3260.1 Ų60.115%0.1533%0.33CS..SBendtrans-83.6-18.2-179-64.4174.7149.500111.9H457 L509 V512 Y606 F624H457-E514 IonicContact CE1-OE1 2.77Å; H457-E514 PolarHBondContact CE1-OE1 2.85Å; H457-E514 VanDerWaalsContact CE1-OE1 3.23Å; H457-E514 IonicContact CE1-OE2 3.79Å; H457-E514 PolarHBondContact CE1-OE2 3.31Å; H457-E514 IonicContact NE2-OE1 3.24Å; H457-E514 PolarHBondContact NE2-OE1 3.35Å; H457-E514 IonicContact NE2-OE2 2.82Å; L509-E514 VanDerWaalsContact CD2-OE2 3.27Å; L509-E514 WeakPolarHBondContact CD2-OE2 3.49Å; L509-E514 PolarHBondContact O-N 3.23Å; V512-E514 HydrophobicContact CG1-CG 4.16Å; E514-Y606 PolarHBondContact OE1-OH 3.11Å; E514-Y606 VanDerWaalsContact OE1-OH 3.1Å; E514-F624 HydrophobicContact CB-CE2 4.17Å; E514-F624 HydrophobicContact CB-CZ 4.21Å; E514-F624 HydrophobicContact CG-CE2 4.01Å; E514-F624 HydrophobicContact CG-CZ 4.41Å; E514-F624 WeakPolarHBondContact OE1-CD2 3.34Å; E514-F624 VanDerWaalsContact OE1-CE2 3.24Å; E514-F624 WeakPolarHBondContact OE1-CE2 3.34Å; E514-F624 VanDerWaalsContact OE2-CE2 3.31Å; E514-F624 WeakPolarHBondContact OE2-CE2 3.37Å
515I55.6Low50.6Low17 Ų1767.2 Ų67.29%0.08736%0.358CS..SBendtrans-134.6142.7170.9-39176.8000109.6L509 Q510 L517 L628 V645 M646L509-I515 HydrophobicContact CB-CD1 3.89Å; L509-I515 HydrophobicContact CB-CG1 4.17Å; L509-I515 HydrophobicContact CD1-CD1 4.03Å; L509-I515 PolarHBondContact O-N 2.86Å; Q510-I515 WeakPolarHBondContact CA-O 3.23Å; I515-L517 PolarHBondContact O-N 3.07Å; I515-L628 HydrophobicContact CD1-CD1 4.3Å; I515-V645 HydrophobicContact CD1-CG2 4.44Å; I515-M646 HydrophobicContact CD1-CG 4.5Å; I515-M646 HydrophobicContact CD1-SD 4.29Å
516P50.4Low51Low103 Ų10365.9 Ų65.967%0.66935%0.351SS*.PPolyproline II helixtrans-53.6138.4178.2-27.333.3000113.2R643P516-R643 PolarHBondContact O-NH1 3.14Å
517L50.1Low51.9Low57 Ų5768.3 Ų68.330%0.29836%0.36SS..PPolyproline II helixtrans-65.2141.5173.3-74.6163000110.1Q510 I515 S569Q510-L517 HydrophobicContact CB-CD2 3.75Å; Q510-L517 HydrophobicContact CB-CG 4.42Å; I515-L517 PolarHBondContact O-N 3.07Å; L517-S569 WeakPolarHBondContact CD1-OG 3.21Å
518S48.2Very low52.9Low58 Ų5865.5 Ų65.541%0.40635%0.345SS..PPolyproline II helixtrans-69.7141.3158.945.20000110.2Q510 N520Q510-S518 VanDerWaalsContact OE1-N 3.15Å; S518-N520 PolarHBondContact O-N 2.85Å
519D43.8Very low54.2Low165 Ų16566.1 Ų66.188%0.88235%0.348SS*.THydrogen-bonded Turntrans-56-2.8-171.8-72.1-37.1000116.8
520N41Very low55.2Low144 Ų14468 Ų6877%0.7736%0.358SS*.THydrogen-bonded Turntrans-100.4-3.6-167.3-75.4-19.9000116.7S518S518-N520 PolarHBondContact O-N 2.85Å
521D44.5Very low56.4Low66 Ų6668.7 Ų68.735%0.35336%0.361SS..  trans-129.544.6-157.6-83.3-35000116.9N523 F524D521-N523 PolarHBondContact O-N 3.25Å; D521-F524 HydrophobicContact CB-CD2 3.55Å; D521-F524 HydrophobicContact CB-CE2 3.84Å; D521-F524 VanDerWaalsContact CG-CD2 3.48Å; D521-F524 VanDerWaalsContact OD1-CE2 3.27Å; D521-F524 WeakPolarHBondContact OD1-CE2 3.22Å; D521-F524 WeakPolarHBondContact OD2-CE2 3.5Å
522L40.2Very low58.4Low154 Ų15467 Ų6781%0.80635%0.352SS*.THydrogen-bonded Turntrans-62.8-16.9170.6-83.2149.1000113.9
523N40.7Very low60.1Low158 Ų15867.5 Ų67.585%0.84536%0.356SS*.THydrogen-bonded Turntrans-97.611.2-175.5-80.8-11.7000115.3D521 K525D521-N523 PolarHBondContact O-N 3.25Å; N523-K525 PolarHBondContact O-N 3.48Å
524F47.8Very low61.6Low80 Ų8068.4 Ų68.435%0.35136%0.361SS..  trans-67.4119.5179.5-102.3-101000112.2L511 D521 C526L511-F524 HydrophobicContact CD1-CD1 4.41Å; L511-F524 HydrophobicContact CD2-CB 3.96Å; D521-F524 HydrophobicContact CB-CD2 3.55Å; D521-F524 HydrophobicContact CB-CE2 3.84Å; D521-F524 VanDerWaalsContact CG-CD2 3.48Å; D521-F524 VanDerWaalsContact OD1-CE2 3.27Å; D521-F524 WeakPolarHBondContact OD1-CE2 3.22Å; D521-F524 WeakPolarHBondContact OD2-CE2 3.5Å; F524-C526 PolarHBondContact O-N 2.88Å
525K51.8Low63Low160 Ų16066.9 Ų66.970%0.69635%0.354SS*.  trans-50.3130.9175.4-70.8-178.4178.8178.90109.8N523 H527N523-K525 PolarHBondContact O-N 3.48Å; K525-H527 VanDerWaalsContact C-N 3.25Å; K525-H527 PolarHBondContact O-N 3.15Å
526C68.1Low64.6Low13 Ų1366.2 Ų66.29%0.08835%0.351CS..  trans-73.582.4175.5-171.40000108.7F524 N528 F529 D530 Q564F524-C526 PolarHBondContact O-N 2.88Å; C526-N528 PolarHBondContact O-N 3.49Å; C526-N528 VanDerWaalsContact O-N 3.14Å; C526-F529 HydrophobicContact CB-CB 3.8Å; C526-F529 WeakPolarHBondContact O-CA 3.3Å; C526-F529 VanDerWaalsContact O-CB 3.27Å; C526-F529 WeakPolarHBondContact O-CB 3.46Å; C526-F529 PolarHBondContact O-N 3.11Å; C526-D530 PolarHBondContact O-N 3.39Å; C526-Q564 HydrophobicContact CB-CG 4.47Å
527H73.2Confident66.1Low73 Ų7367.4 Ų67.434%0.33835%0.352SS..Hα-helixtrans-47.2-43.5-178.6179.270.2000112.4D501 K525 F529 D530 H531D501-H527 IonicContact OD2-CD2 3.75Å; D501-H527 IonicContact OD2-CE1 3.91Å; D501-H527 PolarHBondContact OD2-CE1 3.21Å; D501-H527 IonicContact OD2-NE2 2.88Å; D501-H527 PolarHBondContact OD2-NE2 2.79Å; K525-H527 VanDerWaalsContact C-N 3.25Å; K525-H527 PolarHBondContact O-N 3.15Å; H527-F529 VanDerWaalsContact C-N 3.27Å; H527-F529 PolarHBondContact O-N 2.98Å; H527-D530 WeakPolarHBondContact O-CB 3.43Å; H527-D530 PolarHBondContact O-N 3.4Å; H527-D530 VanDerWaalsContact O-N 3.1Å; H527-H531 PolarHBondContact O-N 2.92Å
528N78.6Confident67.6Low22 Ų2270.2 Ų70.212%0.11836%0.362CS..Hα-helixtrans-61.5-38.6179.4-56.26000111H498 I500 C526 H531 I532H498-N528 PolarHBondContact O-ND2 2.99Å; I500-N528 HydrophobicContact CG2-CB 3.72Å; I500-N528 PolarHBondContact O-OD1 3.4Å; C526-N528 PolarHBondContact O-N 3.49Å; C526-N528 VanDerWaalsContact O-N 3.14Å; N528-H531 PolarHBondContact O-N 3.44Å; N528-I532 WeakPolarHBondContact O-CD1 3.38Å; N528-I532 WeakPolarHBondContact O-CG1 3.38Å; N528-I532 PolarHBondContact O-N 3.19Å
529F85.8Confident69Low27 Ų2770.2 Ų70.212%0.11837%0.371CS..Hα-helixtrans-68.2-40.4175.2178.7-101.7000112C526 H527 H531 I532 S533 L556 I559 K560 L563C526-F529 HydrophobicContact CB-CB 3.8Å; C526-F529 WeakPolarHBondContact O-CA 3.3Å; C526-F529 VanDerWaalsContact O-CB 3.27Å; C526-F529 WeakPolarHBondContact O-CB 3.46Å; C526-F529 PolarHBondContact O-N 3.11Å; H527-F529 VanDerWaalsContact C-N 3.27Å; H527-F529 PolarHBondContact O-N 2.98Å; F529-H531 VanDerWaalsContact C-N 3.3Å; F529-H531 PolarHBondContact O-N 3.37Å; F529-I532 PolarHBondContact O-N 3.32Å; F529-S533 WeakPolarHBondContact CE1-OG 3.47Å; F529-S533 WeakPolarHBondContact CZ-OG 3.32Å; F529-S533 VanDerWaalsContact O-CB 3.24Å; F529-S533 WeakPolarHBondContact O-CB 3.28Å; F529-S533 PolarHBondContact O-N 2.97Å; F529-S533 PolarHBondContact O-OG 3.05Å; F529-L556 HydrophobicContact CE2-CB 4.39Å; F529-L556 HydrophobicContact CE2-CD2 4.42Å; F529-L556 WeakPolarHBondContact CE2-O 2.98Å; F529-L556 HydrophobicContact CZ-CB 4.27Å; F529-I559 HydrophobicContact CD2-CG2 4.1Å; F529-I559 HydrophobicContact CE2-CG2 4.38Å; F529-K560 HydrophobicContact CD1-CB 4.39Å; F529-K560 HydrophobicContact CD1-CD 4.13Å; F529-K560 HydrophobicContact CD1-CG 4.1Å; F529-K560 HydrophobicContact CD2-CB 3.61Å; F529-K560 HydrophobicContact CD2-CG 4.12Å; F529-K560 HydrophobicContact CE1-CB 4.37Å; F529-K560 HydrophobicContact CE1-CD 4.01Å; F529-K560 HydrophobicContact CE1-CG 4.33Å; F529-K560 HydrophobicContact CE2-CB 3.62Å; F529-K560 HydrophobicContact CE2-CG 4.36Å; F529-K560 HydrophobicContact CG-CB 4.01Å; F529-K560 HydrophobicContact CG-CD 4.5Å; F529-K560 HydrophobicContact CG-CG 3.98Å; F529-K560 HydrophobicContact CZ-CB 4Å; F529-K560 HydrophobicContact CZ-CD 4.29Å; F529-K560 HydrophobicContact CZ-CG 4.45Å; F529-L563 HydrophobicContact CB-CD1 4Å; F529-L563 HydrophobicContact CD2-CD1 4.36Å
530D79.9Confident71Confident41 Ų4167 Ų6722%0.21935%0.351CS..Hα-helixtrans-60.7-42.2174.8-82.713.3000111R369 C526 H527 S533 C534R369-D530 IonicContact CZ-OD2 3.45Å; R369-D530 IonicContact NH1-OD2 3.56Å; R369-D530 IonicContact NH2-OD2 2.96Å; R369-D530 PolarHBondContact NH2-OD2 2.8Å; C526-D530 PolarHBondContact O-N 3.39Å; H527-D530 WeakPolarHBondContact O-CB 3.43Å; H527-D530 PolarHBondContact O-N 3.4Å; H527-D530 VanDerWaalsContact O-N 3.1Å; D530-S533 PolarHBondContact O-N 3.15Å; D530-C534 PolarHBondContact O-N 3.13Å; D530-C534 VanDerWaalsContact O-N 3.08Å; D530-C534 PolarHBondContact O-SG 2.94Å
531H81.1Confident73.2Confident27 Ų2760.5 Ų60.513%0.12532%0.316CS..Hα-helixtrans-66.5-46.7178.8-153.5101.4000112S450 I500 H527 N528 F529 S533 C534 I535S450-H531 PolarHBondContact OG-NE2 3.2Å; I500-H531 VanDerWaalsContact CD1-CD2 3.48Å; I500-H531 WeakPolarHBondContact CD1-CD2 3.29Å; I500-H531 HydrophobicContact CG2-CB 4.04Å; H527-H531 PolarHBondContact O-N 2.92Å; N528-H531 PolarHBondContact O-N 3.44Å; F529-H531 VanDerWaalsContact C-N 3.3Å; F529-H531 PolarHBondContact O-N 3.37Å; H531-S533 VanDerWaalsContact C-N 3.34Å; H531-S533 PolarHBondContact O-N 3.39Å; H531-C534 PolarHBondContact O-N 3.42Å; H531-C534 VanDerWaalsContact O-N 3.16Å; H531-I535 PolarHBondContact O-N 3.18Å; H531-I535 VanDerWaalsContact O-N 3.08Å
532I86.9Confident75.5Confident0 Ų058.9 Ų58.90%031%0.307CS..Hα-helixtrans-61.5-43.8175.4-64.3156.1000110.7I493 C497 I500 N528 F529 C534 I535 L536 I559 L563I493-I532 HydrophobicContact CG2-CG2 4.49Å; C497-I532 HydrophobicContact CB-CD1 3.18Å; C497-I532 HydrophobicContact CB-CG1 3.48Å; C497-I532 VanDerWaalsContact CB-CG1 3.48Å; I500-I532 HydrophobicContact CD1-CG1 4.33Å; I500-I532 HydrophobicContact CG2-CG1 4.25Å; N528-I532 WeakPolarHBondContact O-CD1 3.38Å; N528-I532 WeakPolarHBondContact O-CG1 3.38Å; N528-I532 PolarHBondContact O-N 3.19Å; F529-I532 PolarHBondContact O-N 3.32Å; I532-C534 PolarHBondContact O-N 3Å; I532-I535 PolarHBondContact O-N 3.06Å; I532-I535 VanDerWaalsContact O-N 3.09Å; I532-L536 HydrophobicContact CG2-CD1 3.72Å; I532-L536 HydrophobicContact CG2-CG 4.12Å; I532-L536 WeakPolarHBondContact O-CG 3.4Å; I532-L536 PolarHBondContact O-N 3.29Å; I532-I559 HydrophobicContact CD1-CG2 4.32Å; I532-L563 HydrophobicContact CD1-CD1 3.43Å; I532-L563 VanDerWaalsContact CD1-CD1 3.43Å; I532-L563 HydrophobicContact CD1-CD2 4.4Å
533S86.1Confident78.1Confident17 Ų1751.7 Ų51.712%0.11927%0.27CS..Hα-helixtrans-58.8-35.8177.6-63.10000111.1F529 D530 H531 L536 N537F529-S533 WeakPolarHBondContact CE1-OG 3.47Å; F529-S533 WeakPolarHBondContact CZ-OG 3.32Å; F529-S533 VanDerWaalsContact O-CB 3.24Å; F529-S533 WeakPolarHBondContact O-CB 3.28Å; F529-S533 PolarHBondContact O-N 2.97Å; F529-S533 PolarHBondContact O-OG 3.05Å; D530-S533 PolarHBondContact O-N 3.15Å; H531-S533 VanDerWaalsContact C-N 3.34Å; H531-S533 PolarHBondContact O-N 3.39Å; S533-L536 PolarHBondContact O-N 3.19Å; S533-N537 VanDerWaalsContact O-CB 3.22Å; S533-N537 WeakPolarHBondContact O-CB 3.49Å; S533-N537 PolarHBondContact O-N 3Å; S533-N537 PolarHBondContact O-ND2 3.42Å
534C82.3Confident80.6Confident22 Ų2244.4 Ų44.415%0.14923%0.231CC..Hα-helixtrans-71.3-38.3175.9-63.30000112.8R369 L373 D530 H531 I532 N537 F538R369-C534 WeakPolarHBondContact CD-SG 3.5Å; R369-C534 PolarHBondContact NH1-SG 2.79Å; L373-C534 HydrophobicContact CD1-CB 3.33Å; D530-C534 PolarHBondContact O-N 3.13Å; D530-C534 VanDerWaalsContact O-N 3.08Å; D530-C534 PolarHBondContact O-SG 2.94Å; H531-C534 PolarHBondContact O-N 3.42Å; H531-C534 VanDerWaalsContact O-N 3.16Å; I532-C534 PolarHBondContact O-N 3Å; C534-N537 PolarHBondContact O-N 2.72Å; C534-F538 PolarHBondContact O-N 2.84Å
535I86.2Confident82.6Confident0 Ų043.6 Ų43.60%024%0.235CC..Hα-helixtrans-62.8-44.1171.7-65.4173.3000110.4L373 F443 A446 L447 I500 H531 I532 N537 F538 T541L373-I535 HydrophobicContact CD2-CG1 3.64Å; F443-I535 HydrophobicContact CD2-CG2 3.8Å; F443-I535 HydrophobicContact CE2-CG2 4.06Å; A446-I535 HydrophobicContact CB-CD1 4.4Å; A446-I535 HydrophobicContact CB-CG2 4.07Å; L447-I535 HydrophobicContact CD2-CD1 3.82Å; I500-I535 HydrophobicContact CD1-CD1 3.62Å; H531-I535 PolarHBondContact O-N 3.18Å; H531-I535 VanDerWaalsContact O-N 3.08Å; I532-I535 PolarHBondContact O-N 3.06Å; I532-I535 VanDerWaalsContact O-N 3.09Å; I535-N537 VanDerWaalsContact C-N 3.34Å; I535-N537 PolarHBondContact O-N 3.43Å; I535-F538 PolarHBondContact O-N 3.3Å; I535-T541 WeakPolarHBondContact O-CB 3.27Å; I535-T541 PolarHBondContact O-OG1 2.95Å
536L89Confident84.6Confident4 Ų441.8 Ų41.82%0.02123%0.227CC..Hα-helixtrans-72.5-25.3179.7-68.5176.1000112.9F443 I532 S533 F538 N542 I543 L544 L556 I559F443-L536 HydrophobicContact CD2-CD2 4.25Å; F443-L536 HydrophobicContact CE2-CD2 3.77Å; I532-L536 HydrophobicContact CG2-CD1 3.72Å; I532-L536 HydrophobicContact CG2-CG 4.12Å; I532-L536 WeakPolarHBondContact O-CG 3.4Å; I532-L536 PolarHBondContact O-N 3.29Å; S533-L536 PolarHBondContact O-N 3.19Å; L536-F538 VanDerWaalsContact C-N 3.31Å; L536-N542 WeakPolarHBondContact O-CB 3.14Å; L536-N542 PolarHBondContact O-ND2 3.35Å; L536-N542 PolarHBondContact O-OD1 3.02Å; L536-I543 HydrophobicContact CD2-CG1 3.8Å; L536-L544 HydrophobicContact CD1-CD1 4.06Å; L536-L544 HydrophobicContact CD2-CG 4.39Å; L536-L556 HydrophobicContact CD1-CD2 3.77Å; L536-I559 HydrophobicContact CD1-CD1 4.34Å
537N83.6Confident85.7Confident128 Ų12843 Ų4368%0.68423%0.232SC*.Hα-helixtrans-81.4-10.2176.2-76-30000113.6S533 C534 I535S533-N537 VanDerWaalsContact O-CB 3.22Å; S533-N537 WeakPolarHBondContact O-CB 3.49Å; S533-N537 PolarHBondContact O-N 3Å; S533-N537 PolarHBondContact O-ND2 3.42Å; C534-N537 PolarHBondContact O-N 2.72Å; I535-N537 VanDerWaalsContact C-N 3.34Å; I535-N537 PolarHBondContact O-N 3.43Å
538F81.3Confident86.6Confident115 Ų11542.9 Ų42.950%0.50424%0.238SC..SBendtrans-85.9120.8176.4-170.6-103.7000110.1C534 I535 L536 E540 T541 N542C534-F538 PolarHBondContact O-N 2.84Å; I535-F538 PolarHBondContact O-N 3.3Å; L536-F538 VanDerWaalsContact C-N 3.31Å; F538-E540 HydrophobicContact CD1-CB 4.22Å; F538-E540 HydrophobicContact CE1-CB 3.97Å; F538-E540 HydrophobicContact CE1-CG 4.17Å; F538-E540 PolarHBondContact O-N 3.32Å; F538-E540 VanDerWaalsContact O-N 3.08Å; F538-T541 WeakPolarHBondContact CB-OG1 3.39Å; F538-T541 HydrophobicContact CD1-CG2 4.3Å; F538-T541 PolarHBondContact O-N 3.18Å; F538-T541 PolarHBondContact O-OG1 3.44Å; F538-T541 VanDerWaalsContact O-OG1 3.08Å; F538-N542 WeakPolarHBondContact O-CB 3.29Å; F538-N542 PolarHBondContact O-N 2.7Å
539G77.9Confident87.2Confident58 Ų5848.5 Ų48.560%0.59827%0.267SS*.THydrogen-bonded Turntrans-54.1-36.1-165.800000114.8
540E85Confident87.5Confident99 Ų9952 Ų5246%0.46329%0.287SS..THydrogen-bonded Turntrans-80.1-18-178.3-58.6-176.3-176.200114.5T439 R442 F538T439-E540 WeakPolarHBondContact CA-O 3.4Å; T439-E540 WeakPolarHBondContact CG2-O 3.46Å; R442-E540 IonicContact CZ-OE2 3.28Å; R442-E540 IonicContact NE-OE2 2.76Å; R442-E540 PolarHBondContact NE-OE2 3.2Å; R442-E540 VanDerWaalsContact NE-OE2 3.17Å; F538-E540 HydrophobicContact CD1-CB 4.22Å; F538-E540 HydrophobicContact CE1-CB 3.97Å; F538-E540 HydrophobicContact CE1-CG 4.17Å; F538-E540 PolarHBondContact O-N 3.32Å; F538-E540 VanDerWaalsContact O-N 3.08Å
541T88Confident88.1Confident7 Ų751.2 Ų51.24%0.04328%0.284CS..THydrogen-bonded Turntrans-108.2-3.5178.6470000112.3R442 F443 A446 I535 F538 I543R442-T541 HydrophobicContact CB-CG2 3.85Å; F443-T541 WeakPolarHBondContact CD2-O 3.2Å; A446-T541 HydrophobicContact CB-CG2 4.15Å; I535-T541 WeakPolarHBondContact O-CB 3.27Å; I535-T541 PolarHBondContact O-OG1 2.95Å; F538-T541 WeakPolarHBondContact CB-OG1 3.39Å; F538-T541 HydrophobicContact CD1-CG2 4.3Å; F538-T541 PolarHBondContact O-N 3.18Å; F538-T541 PolarHBondContact O-OG1 3.44Å; F538-T541 VanDerWaalsContact O-OG1 3.08Å; T541-I543 PolarHBondContact O-N 3.47Å
542N91.6Very high88.6Confident32 Ų3251.3 Ų51.317%0.17129%0.287CS..  trans-76.391.1-177-171.1-7.4000112.2L536 F538 L544 S545L536-N542 WeakPolarHBondContact O-CB 3.14Å; L536-N542 PolarHBondContact O-ND2 3.35Å; L536-N542 PolarHBondContact O-OD1 3.02Å; F538-N542 WeakPolarHBondContact O-CB 3.29Å; F538-N542 PolarHBondContact O-N 2.7Å; N542-L544 PolarHBondContact O-N 2.94Å; N542-L544 WeakPolarHBondContact OD1-CA 3.4Å; N542-L544 WeakPolarHBondContact OD1-CB 3.43Å; N542-L544 PolarHBondContact OD1-N 3.49Å; N542-S545 WeakPolarHBondContact O-CB 3.34Å; N542-S545 PolarHBondContact O-N 2.94Å; N542-S545 PolarHBondContact O-OG 3.29Å; N542-S545 PolarHBondContact OD1-N 3.02Å; N542-S545 VanDerWaalsContact OD1-N 3.1Å
543I94.6Very high88.9Confident3 Ų357.8 Ų57.82%0.01532%0.317CS..THydrogen-bonded Turntrans-68.6-10.9174.661.9167.5000113.9F424 I435 T439 L440 F443 I493 L536 T541F424-I543 HydrophobicContact CE1-CD1 4.39Å; I435-I543 HydrophobicContact CD1-CB 4.04Å; I435-I543 HydrophobicContact CD1-CG2 4.44Å; I435-I543 HydrophobicContact CG1-CB 4.14Å; I435-I543 HydrophobicContact CG2-CB 4.3Å; I435-I543 HydrophobicContact CG2-CG2 4.01Å; T439-I543 HydrophobicContact CG2-CG2 4.25Å; L440-I543 HydrophobicContact CD1-CG2 4.4Å; F443-I543 HydrophobicContact CB-CG2 3.61Å; F443-I543 HydrophobicContact CD1-CD1 4.01Å; F443-I543 HydrophobicContact CD1-CG2 4Å; F443-I543 HydrophobicContact CD2-CD1 4.39Å; F443-I543 HydrophobicContact CD2-CG1 4.34Å; F443-I543 HydrophobicContact CD2-CG2 4.17Å; F443-I543 HydrophobicContact CE1-CD1 3.71Å; F443-I543 HydrophobicContact CE2-CD1 4.14Å; F443-I543 HydrophobicContact CE2-CG1 4.35Å; F443-I543 HydrophobicContact CG-CD1 4.34Å; F443-I543 HydrophobicContact CG-CG1 4.48Å; F443-I543 HydrophobicContact CG-CG2 3.66Å; F443-I543 HydrophobicContact CZ-CD1 3.78Å; F443-I543 HydrophobicContact CZ-CG1 4.48Å; I493-I543 HydrophobicContact CD1-CD1 3.73Å; I493-I543 HydrophobicContact CG1-CD1 4.36Å; L536-I543 HydrophobicContact CD2-CG1 3.8Å; T541-I543 PolarHBondContact O-N 3.47Å
544L93Very high89.2Confident4 Ų460.2 Ų60.22%0.02133%0.331CS..THydrogen-bonded Turntrans-99-1.1178.2-55.2-178.4000112.7L433 L536 N542 K546 M547 V552L433-L544 HydrophobicContact CD1-CD2 4.1Å; L433-L544 HydrophobicContact CD2-CD2 3.92Å; L536-L544 HydrophobicContact CD1-CD1 4.06Å; L536-L544 HydrophobicContact CD2-CG 4.39Å; N542-L544 PolarHBondContact O-N 2.94Å; N542-L544 WeakPolarHBondContact OD1-CA 3.4Å; N542-L544 WeakPolarHBondContact OD1-CB 3.43Å; N542-L544 PolarHBondContact OD1-N 3.49Å; L544-K546 PolarHBondContact O-N 3.02Å; L544-K546 VanDerWaalsContact O-N 3.1Å; L544-M547 WeakPolarHBondContact O-CB 3.46Å; L544-M547 PolarHBondContact O-N 2.65Å; L544-V552 HydrophobicContact CB-CG2 4.23Å; L544-V552 HydrophobicContact CD1-CG1 4.41Å
545S91.6Very high89.8Confident63 Ų6359.2 Ų59.244%0.44133%0.325SS..THydrogen-bonded Turntrans-59.9-24.6-170.655.50000115.5N542N542-S545 WeakPolarHBondContact O-CB 3.34Å; N542-S545 PolarHBondContact O-N 2.94Å; N542-S545 PolarHBondContact O-OG 3.29Å; N542-S545 PolarHBondContact OD1-N 3.02Å; N542-S545 VanDerWaalsContact OD1-N 3.1Å
546K92.6Very high90.1Very high123 Ų12361.3 Ų61.354%0.53534%0.335SS..THydrogen-bonded Turntrans-94.1-3.3179.7-57.1-60.9-1751800113.6K434 E436 L544K434-K546 HydrophobicContact CB-CB 4.31Å; E436-K546 IonicContact OE1-NZ 2.7Å; L544-K546 PolarHBondContact O-N 3.02Å; L544-K546 VanDerWaalsContact O-N 3.1Å
547M90.8Very high90.3Very high37 Ų3764.6 Ų64.618%0.18236%0.359CS..SBendtrans-84.4150.4-178.4-64.6-60.1-74.500111.7L433 I486 L544 C551 V552L433-M547 HydrophobicContact CD2-CE 4.12Å; L433-M547 HydrophobicContact CD2-CG 3.66Å; L433-M547 HydrophobicContact CD2-SD 3.81Å; I486-M547 HydrophobicContact CD1-CE 4.03Å; I486-M547 HydrophobicContact CG1-CE 4.17Å; L544-M547 WeakPolarHBondContact O-CB 3.46Å; L544-M547 PolarHBondContact O-N 2.65Å; M547-C551 HydrophobicContact CB-CB 4.26Å; M547-C551 HydrophobicContact CE-CB 4.02Å; M547-V552 HydrophobicContact CB-CG2 3.91Å
548P92.3Very high90.8Very high72 Ų7258.9 Ų58.947%0.46833%0.328SS..  trans-56146.4168.5-26.937.6000112.3N550 C551 V552P548-N550 VanDerWaalsContact C-N 3.3Å; P548-N550 WeakPolarHBondContact CB-OD1 3.39Å; P548-N550 PolarHBondContact O-N 3.38Å; P548-C551 WeakPolarHBondContact O-CA 3.31Å; P548-C551 WeakPolarHBondContact O-CB 3.4Å; P548-C551 PolarHBondContact O-N 3.24Å; P548-V552 PolarHBondContact O-N 3.37Å; P548-V552 VanDerWaalsContact O-N 3.09Å
549L91.1Very high91.4Very high140 Ų14053.4 Ų53.473%0.73330%0.304SS*.Hα-helixtrans-55.4-41.7-175-71.9173.5000113.3C551 V552 E553L549-C551 VanDerWaalsContact C-N 3.29Å; L549-C551 PolarHBondContact O-N 3.22Å; L549-V552 WeakPolarHBondContact O-CB 3.26Å; L549-V552 PolarHBondContact O-N 3Å; L549-V552 VanDerWaalsContact O-N 3.12Å; L549-E553 WeakPolarHBondContact O-CG 3.33Å; L549-E553 PolarHBondContact O-N 3.44Å
550N92.4Very high92.1Very high100 Ų10055.1 Ų55.154%0.53530%0.295SS..Hα-helixtrans-60-37.3176.363.2-36.1000112.7P548 T554P548-N550 VanDerWaalsContact C-N 3.3Å; P548-N550 WeakPolarHBondContact CB-OD1 3.39Å; P548-N550 PolarHBondContact O-N 3.38Å; N550-T554 VanDerWaalsContact O-CB 3.29Å; N550-T554 WeakPolarHBondContact O-CB 3.41Å; N550-T554 PolarHBondContact O-N 2.71Å; N550-T554 PolarHBondContact O-OG1 3.18Å
551C92.5Very high92.3Very high24 Ų2452.4 Ų52.416%0.16228%0.282CS..Hα-helixtrans-70-37.6175.7-63.90000111.6I486 M547 P548 L549 S555I486-C551 HydrophobicContact CD1-CB 3.58Å; I486-C551 WeakPolarHBondContact CD1-SG 3.48Å; M547-C551 HydrophobicContact CB-CB 4.26Å; M547-C551 HydrophobicContact CE-CB 4.02Å; P548-C551 WeakPolarHBondContact O-CA 3.31Å; P548-C551 WeakPolarHBondContact O-CB 3.4Å; P548-C551 PolarHBondContact O-N 3.24Å; L549-C551 VanDerWaalsContact C-N 3.29Å; L549-C551 PolarHBondContact O-N 3.22Å; C551-S555 VanDerWaalsContact O-CB 3.26Å; C551-S555 WeakPolarHBondContact O-CB 3.4Å; C551-S555 PolarHBondContact O-N 3.29Å
552V92.2Very high92.5Very high30 Ų3052.1 Ų52.118%0.18228%0.281CS..Hα-helixtrans-65-47.8175.4-179.80000110.4L544 M547 P548 L549 T554 S555 L556L544-V552 HydrophobicContact CB-CG2 4.23Å; L544-V552 HydrophobicContact CD1-CG1 4.41Å; M547-V552 HydrophobicContact CB-CG2 3.91Å; P548-V552 PolarHBondContact O-N 3.37Å; P548-V552 VanDerWaalsContact O-N 3.09Å; L549-V552 WeakPolarHBondContact O-CB 3.26Å; L549-V552 PolarHBondContact O-N 3Å; L549-V552 VanDerWaalsContact O-N 3.12Å; V552-T554 PolarHBondContact O-N 3.08Å; V552-S555 PolarHBondContact O-N 2.99Å; V552-L556 HydrophobicContact CG1-CD1 4.12Å; V552-L556 HydrophobicContact CG1-CG 4.45Å; V552-L556 WeakPolarHBondContact O-CG 3.28Å; V552-L556 PolarHBondContact O-N 2.99Å
553E92.1Very high92.3Very high135 Ų13550.8 Ų50.863%0.63127%0.274SS*.Hα-helixtrans-59.2-46.1176.4-72.1174.8171.400111.6L549 S555 L556 S557L549-E553 WeakPolarHBondContact O-CG 3.33Å; L549-E553 PolarHBondContact O-N 3.44Å; E553-S555 PolarHBondContact O-N 3.19Å; E553-L556 PolarHBondContact O-N 3.03Å; E553-S557 WeakPolarHBondContact O-CB 3.13Å; E553-S557 PolarHBondContact O-N 3.11Å
554T93.6Very high91.8Very high68 Ų6854.1 Ų54.142%0.41729%0.289SS..Hα-helixtrans-59.8-47.5176-59.40000110.8N550 V552 L556 S557 I558N550-T554 VanDerWaalsContact O-CB 3.29Å; N550-T554 WeakPolarHBondContact O-CB 3.41Å; N550-T554 PolarHBondContact O-N 2.71Å; N550-T554 PolarHBondContact O-OG1 3.18Å; V552-T554 PolarHBondContact O-N 3.08Å; T554-L556 PolarHBondContact O-N 2.82Å; T554-S557 WeakPolarHBondContact O-CB 3.38Å; T554-S557 PolarHBondContact O-N 3.26Å; T554-I558 HydrophobicContact CG2-CD1 3.61Å; T554-I558 HydrophobicContact CG2-CG1 4.45Å; T554-I558 WeakPolarHBondContact O-CD1 3.45Å; T554-I558 VanDerWaalsContact O-CG1 3.25Å; T554-I558 WeakPolarHBondContact O-CG1 3.42Å; T554-I558 PolarHBondContact O-N 3.47Å
555S93.9Very high91.5Very high2 Ų254.1 Ų54.11%0.01429%0.29CS..Hα-helixtrans-60.8-47.3179.3179.80000112.3S490 C551 V552 E553 S557 I558 I559S490-S555 VanDerWaalsContact OG-CA 3.23Å; S490-S555 WeakPolarHBondContact OG-CA 3.26Å; S490-S555 WeakPolarHBondContact OG-CB 3.33Å; S490-S555 PolarHBondContact OG-O 2.86Å; S490-S555 PolarHBondContact OG-OG 3.36Å; C551-S555 VanDerWaalsContact O-CB 3.26Å; C551-S555 WeakPolarHBondContact O-CB 3.4Å; C551-S555 PolarHBondContact O-N 3.29Å; V552-S555 PolarHBondContact O-N 2.99Å; E553-S555 PolarHBondContact O-N 3.19Å; S555-S557 VanDerWaalsContact C-N 3.32Å; S555-S557 PolarHBondContact O-N 2.9Å; S555-I558 PolarHBondContact O-N 2.78Å; S555-I559 WeakPolarHBondContact O-CB 3.49Å; S555-I559 VanDerWaalsContact O-CG1 3.23Å; S555-I559 WeakPolarHBondContact O-CG1 3.37Å; S555-I559 PolarHBondContact O-N 3.05Å
556L93.5Very high90.8Very high43 Ų4351.3 Ų51.323%0.22527%0.27CS..Hα-helixtrans-63.1-39.3177.3-69.5176.9000111.7F529 L536 V552 E553 T554 I559 K560F529-L556 HydrophobicContact CE2-CB 4.39Å; F529-L556 HydrophobicContact CE2-CD2 4.42Å; F529-L556 WeakPolarHBondContact CE2-O 2.98Å; F529-L556 HydrophobicContact CZ-CB 4.27Å; L536-L556 HydrophobicContact CD1-CD2 3.77Å; V552-L556 HydrophobicContact CG1-CD1 4.12Å; V552-L556 HydrophobicContact CG1-CG 4.45Å; V552-L556 WeakPolarHBondContact O-CG 3.28Å; V552-L556 PolarHBondContact O-N 2.99Å; E553-L556 PolarHBondContact O-N 3.03Å; T554-L556 PolarHBondContact O-N 2.82Å; L556-I559 PolarHBondContact O-N 3.44Å; L556-K560 WeakPolarHBondContact O-CB 3.35Å; L556-K560 PolarHBondContact O-N 3.47Å
557S93.6Very high89.9Confident73 Ų7346.9 Ų46.951%0.5125%0.25SC..Hα-helixtrans-60.6-47.6174.7-171.50000111.6E553 T554 S555 K560 E561E553-S557 WeakPolarHBondContact O-CB 3.13Å; E553-S557 PolarHBondContact O-N 3.11Å; T554-S557 WeakPolarHBondContact O-CB 3.38Å; T554-S557 PolarHBondContact O-N 3.26Å; S555-S557 VanDerWaalsContact C-N 3.32Å; S555-S557 PolarHBondContact O-N 2.9Å; S557-K560 PolarHBondContact O-N 3.25Å; S557-E561 WeakPolarHBondContact O-CB 3.49Å; S557-E561 PolarHBondContact O-N 3.2Å
558I94Very high89.2Confident9 Ų946.1 Ų46.15%0.04625%0.247CC..Hα-helixtrans-66.2-42.4179.5-63.4156.4000111.3E487 S490 I491 T554 S555 K560 E561 A562E487-I558 HydrophobicContact CB-CD1 4.29Å; E487-I558 HydrophobicContact CG-CD1 3.46Å; E487-I558 VanDerWaalsContact CG-CD1 3.46Å; E487-I558 HydrophobicContact CG-CG1 4.45Å; S490-I558 VanDerWaalsContact CB-CG2 3.44Å; I491-I558 HydrophobicContact CG1-CG2 4.41Å; T554-I558 HydrophobicContact CG2-CD1 3.61Å; T554-I558 HydrophobicContact CG2-CG1 4.45Å; T554-I558 WeakPolarHBondContact O-CD1 3.45Å; T554-I558 VanDerWaalsContact O-CG1 3.25Å; T554-I558 WeakPolarHBondContact O-CG1 3.42Å; T554-I558 PolarHBondContact O-N 3.47Å; S555-I558 PolarHBondContact O-N 2.78Å; I558-K560 VanDerWaalsContact C-N 3.31Å; I558-K560 PolarHBondContact O-N 3.43Å; I558-E561 PolarHBondContact O-N 3.48Å; I558-A562 VanDerWaalsContact O-CB 3.3Å; I558-A562 WeakPolarHBondContact O-CB 3.48Å; I558-A562 PolarHBondContact O-N 2.95Å
559I93.6Very high88.4Confident0 Ų045.1 Ų45.10%024%0.241CC..Hα-helixtrans-58.7-46.6176.4-69.4163.6000109.7I493 F529 I532 L536 S555 L556 A562 L563I493-I559 HydrophobicContact CB-CD1 4.23Å; I493-I559 HydrophobicContact CB-CG1 4.38Å; I493-I559 HydrophobicContact CD1-CD1 4.33Å; I493-I559 HydrophobicContact CG2-CD1 3.8Å; I493-I559 HydrophobicContact CG2-CG1 4.21Å; F529-I559 HydrophobicContact CD2-CG2 4.1Å; F529-I559 HydrophobicContact CE2-CG2 4.38Å; I532-I559 HydrophobicContact CD1-CG2 4.32Å; L536-I559 HydrophobicContact CD1-CD1 4.34Å; S555-I559 WeakPolarHBondContact O-CB 3.49Å; S555-I559 VanDerWaalsContact O-CG1 3.23Å; S555-I559 WeakPolarHBondContact O-CG1 3.37Å; S555-I559 PolarHBondContact O-N 3.05Å; L556-I559 PolarHBondContact O-N 3.44Å; I559-A562 PolarHBondContact O-N 3.16Å; I559-L563 HydrophobicContact CG2-CD1 3.7Å; I559-L563 HydrophobicContact CG2-CG 4.35Å; I559-L563 WeakPolarHBondContact O-CB 3.29Å; I559-L563 WeakPolarHBondContact O-CD1 3.42Å; I559-L563 WeakPolarHBondContact O-CG 3.29Å; I559-L563 PolarHBondContact O-N 2.78Å
560K91.2Very high88Confident93 Ų9339.1 Ų39.140%0.40421%0.21SC..Hα-helixtrans-60.4-47.5178.2-171.7178.4177.9-177.40111.7F529 L556 S557 I558 L563 Q564F529-K560 HydrophobicContact CD1-CB 4.39Å; F529-K560 HydrophobicContact CD1-CD 4.13Å; F529-K560 HydrophobicContact CD1-CG 4.1Å; F529-K560 HydrophobicContact CD2-CB 3.61Å; F529-K560 HydrophobicContact CD2-CG 4.12Å; F529-K560 HydrophobicContact CE1-CB 4.37Å; F529-K560 HydrophobicContact CE1-CD 4.01Å; F529-K560 HydrophobicContact CE1-CG 4.33Å; F529-K560 HydrophobicContact CE2-CB 3.62Å; F529-K560 HydrophobicContact CE2-CG 4.36Å; F529-K560 HydrophobicContact CG-CB 4.01Å; F529-K560 HydrophobicContact CG-CD 4.5Å; F529-K560 HydrophobicContact CG-CG 3.98Å; F529-K560 HydrophobicContact CZ-CB 4Å; F529-K560 HydrophobicContact CZ-CD 4.29Å; F529-K560 HydrophobicContact CZ-CG 4.45Å; L556-K560 WeakPolarHBondContact O-CB 3.35Å; L556-K560 PolarHBondContact O-N 3.47Å; S557-K560 PolarHBondContact O-N 3.25Å; I558-K560 VanDerWaalsContact C-N 3.31Å; I558-K560 PolarHBondContact O-N 3.43Å; K560-L563 PolarHBondContact O-N 3.29Å; K560-Q564 VanDerWaalsContact O-CG 3.28Å; K560-Q564 WeakPolarHBondContact O-CG 3.39Å; K560-Q564 PolarHBondContact O-N 3.5Å; K560-Q564 VanDerWaalsContact O-N 3.09Å
561E90.6Very high87.7Confident42 Ų4234.3 Ų34.320%0.19618%0.184CC..Hα-helixtrans-62-47.8179.8-170.1-157.4104.200111.4S557 I558 L563 Q564 A565 L595 R598S557-E561 WeakPolarHBondContact O-CB 3.49Å; S557-E561 PolarHBondContact O-N 3.2Å; I558-E561 PolarHBondContact O-N 3.48Å; E561-L563 PolarHBondContact O-N 3.38Å; E561-Q564 PolarHBondContact O-N 2.88Å; E561-Q564 VanDerWaalsContact O-N 3.13Å; E561-A565 WeakPolarHBondContact O-CB 3.39Å; E561-A565 PolarHBondContact O-N 3.46Å; E561-L595 HydrophobicContact CG-CD1 3.81Å; E561-L595 WeakPolarHBondContact OE1-CD1 3.24Å; E561-R598 IonicContact OE1-CZ 2.73Å; E561-R598 IonicContact OE1-NE 3.89Å; E561-R598 IonicContact OE1-NH1 3.88Å; E561-R598 PolarHBondContact OE1-NH1 3.45Å; E561-R598 IonicContact OE1-NH2 3.85Å; E561-R598 PolarHBondContact OE1-NH2 3.5Å; E561-R598 VanDerWaalsContact OE1-NH2 3.1Å; E561-R598 IonicContact OE2-CZ 3.91Å; E561-R598 VanDerWaalsContact OE2-CZ 3.31Å; E561-R598 IonicContact OE2-NH1 3.68Å; E561-R598 PolarHBondContact OE2-NH1 3.01Å; E561-R598 IonicContact OE2-NH2 3.91Å; E561-R598 PolarHBondContact OE2-NH2 3.35Å
562A92.1Very high87.4Confident1 Ų137.9 Ų37.91%0.00820%0.197CC..Hα-helixtrans-61-45.9177.500000111.7A494 I558 I559 Q564 A565 N566 M602A494-A562 HydrophobicContact CB-CB 3.56Å; I558-A562 VanDerWaalsContact O-CB 3.3Å; I558-A562 WeakPolarHBondContact O-CB 3.48Å; I558-A562 PolarHBondContact O-N 2.95Å; I559-A562 PolarHBondContact O-N 3.16Å; A562-Q564 PolarHBondContact O-N 3.28Å; A562-A565 WeakPolarHBondContact O-CB 3.38Å; A562-A565 PolarHBondContact O-N 3.38Å; A562-N566 PolarHBondContact O-N 3.42Å; A562-M602 HydrophobicContact CB-CG 4.37Å; A562-M602 HydrophobicContact CB-SD 4.37Å; A562-M602 VanDerWaalsContact O-CG 3.32Å; A562-M602 WeakPolarHBondContact O-CG 3.33Å
563L88Confident87.3Confident4 Ų444.3 Ų44.32%0.02122%0.218CC..Hα-helixtrans-63-25.6176.3-70.1168.6000113.5A494 H498 F529 I532 I559 K560 E561 N566A494-L563 HydrophobicContact CB-CD2 4.26Å; A494-L563 HydrophobicContact CB-CG 4.13Å; H498-L563 HydrophobicContact CB-CD2 4.15Å; F529-L563 HydrophobicContact CB-CD1 4Å; F529-L563 HydrophobicContact CD2-CD1 4.36Å; I532-L563 HydrophobicContact CD1-CD1 3.43Å; I532-L563 VanDerWaalsContact CD1-CD1 3.43Å; I532-L563 HydrophobicContact CD1-CD2 4.4Å; I559-L563 HydrophobicContact CG2-CD1 3.7Å; I559-L563 HydrophobicContact CG2-CG 4.35Å; I559-L563 WeakPolarHBondContact O-CB 3.29Å; I559-L563 WeakPolarHBondContact O-CD1 3.42Å; I559-L563 WeakPolarHBondContact O-CG 3.29Å; I559-L563 PolarHBondContact O-N 2.78Å; K560-L563 PolarHBondContact O-N 3.29Å; E561-L563 PolarHBondContact O-N 3.38Å; L563-N566 VanDerWaalsContact O-CG 3.24Å; L563-N566 PolarHBondContact O-ND2 3.49Å; L563-N566 PolarHBondContact O-OD1 2.96Å
564Q83.6Confident87.3Confident73 Ų7338.4 Ų38.434%0.34119%0.191SC..Hα-helixtrans-82.9-30.1172.4-70.2174.4-33.300111.9C526 K560 E561 A562 R567C526-Q564 HydrophobicContact CB-CG 4.47Å; K560-Q564 VanDerWaalsContact O-CG 3.28Å; K560-Q564 WeakPolarHBondContact O-CG 3.39Å; K560-Q564 PolarHBondContact O-N 3.5Å; K560-Q564 VanDerWaalsContact O-N 3.09Å; E561-Q564 PolarHBondContact O-N 2.88Å; E561-Q564 VanDerWaalsContact O-N 3.13Å; A562-Q564 PolarHBondContact O-N 3.28Å; Q564-R567 WeakPolarHBondContact O-CD 3.39Å; Q564-R567 VanDerWaalsContact O-CG 3.3Å; Q564-R567 WeakPolarHBondContact O-CG 3.15Å
565A85.4Confident87.3Confident4 Ų439.5 Ų39.53%0.03319%0.187CC..Hα-helixtrans-73.3-24.3-176.200000113.9E561 A562 R567 N570 I603E561-A565 WeakPolarHBondContact O-CB 3.39Å; E561-A565 PolarHBondContact O-N 3.46Å; A562-A565 WeakPolarHBondContact O-CB 3.38Å; A562-A565 PolarHBondContact O-N 3.38Å; A565-R567 PolarHBondContact O-N 2.83Å; A565-N570 WeakPolarHBondContact CA-ND2 3.41Å; A565-N570 PolarHBondContact O-ND2 3.46Å; A565-I603 WeakPolarHBondContact O-CD1 3.39Å; A565-I603 VanDerWaalsContact O-CG1 3.22Å; A565-I603 WeakPolarHBondContact O-CG1 3.45Å
566N76.9Confident87.3Confident5 Ų543.2 Ų43.23%0.02721%0.213CC..THydrogen-bonded Turntrans-60-12.9176.768.73000114.1A562 L563 M602A562-N566 PolarHBondContact O-N 3.42Å; L563-N566 VanDerWaalsContact O-CG 3.24Å; L563-N566 PolarHBondContact O-ND2 3.49Å; L563-N566 PolarHBondContact O-OD1 2.96Å; N566-M602 HydrophobicContact CB-CE 3.93Å; N566-M602 HydrophobicContact CB-CG 4.01Å
567R74.6Confident87.4Confident30 Ų3046 Ų4611%0.11323%0.225CC..SBendtrans-68.9133.1-179.9-66175.7-176176.72.3111.6L511 Q564 A565 S569 N570 Y571L511-R567 VanDerWaalsContact O-CG 3.24Å; L511-R567 WeakPolarHBondContact O-CG 3.47Å; Q564-R567 WeakPolarHBondContact O-CD 3.39Å; Q564-R567 VanDerWaalsContact O-CG 3.3Å; Q564-R567 WeakPolarHBondContact O-CG 3.15Å; A565-R567 PolarHBondContact O-N 2.83Å; R567-S569 PolarHBondContact O-N 3.4Å; R567-N570 HydrophobicContact CB-CB 4.31Å; R567-N570 WeakPolarHBondContact O-CA 3.33Å; R567-N570 VanDerWaalsContact O-CB 3.29Å; R567-N570 WeakPolarHBondContact O-CB 3.34Å; R567-N570 PolarHBondContact O-N 3.18Å; R567-Y571 PolarHBondContact O-N 2.96Å
568L75.3Confident87.5Confident21 Ų2142.6 Ų42.611%0.1120%0.201CC..Hα-helixtrans-59.9-31.3175.1-175.161.8000113.2G513 N570 Y571 F572 M607 Y660 V664G513-L568 WeakPolarHBondContact O-CB 3.28Å; G513-L568 WeakPolarHBondContact O-CD2 3.22Å; L568-N570 VanDerWaalsContact C-N 3.3Å; L568-N570 PolarHBondContact O-N 3.26Å; L568-Y571 HydrophobicContact CD1-CD1 3.93Å; L568-Y571 WeakPolarHBondContact O-CB 3.17Å; L568-Y571 PolarHBondContact O-N 3.21Å; L568-F572 HydrophobicContact CD1-CD2 4.25Å; L568-F572 HydrophobicContact CD1-CE2 3.75Å; L568-F572 HydrophobicContact CD1-CZ 4.27Å; L568-F572 HydrophobicContact CD2-CE2 3.84Å; L568-F572 HydrophobicContact CG-CD2 3.92Å; L568-F572 HydrophobicContact CG-CE2 3.5Å; L568-F572 VanDerWaalsContact CG-CE2 3.5Å; L568-F572 HydrophobicContact CG-CZ 4.42Å; L568-F572 WeakPolarHBondContact O-CD2 3.33Å; L568-F572 PolarHBondContact O-N 3.16Å; L568-F572 VanDerWaalsContact O-N 3.1Å; L568-M607 HydrophobicContact CD1-CE 4.13Å; L568-Y660 HydrophobicContact CD2-CE2 4.32Å; L568-V664 HydrophobicContact CD1-CB 4.37Å; L568-V664 HydrophobicContact CD1-CG1 3.41Å; L568-V664 VanDerWaalsContact CD1-CG1 3.41Å; L568-V664 HydrophobicContact CD1-CG2 4Å; L568-V664 HydrophobicContact CD2-CG2 4.3Å
569S75.8Confident87.5Confident51 Ų5145.8 Ų45.836%0.35722%0.218SC..Hα-helixtrans-63.4-36.1173.156.20000112.8L517 R567 R573L517-S569 WeakPolarHBondContact CD1-OG 3.21Å; R567-S569 PolarHBondContact O-N 3.4Å; S569-R573 PolarHBondContact O-N 2.93Å; S569-R573 VanDerWaalsContact O-N 3.15Å
570N83.1Confident87.6Confident13 Ų1349.8 Ų49.87%0.0724%0.239CC..Hα-helixtrans-65.3-45.3174.1-178.159.6000110.4A565 R567 L568 F572 R573 I574A565-N570 WeakPolarHBondContact CA-ND2 3.41Å; A565-N570 PolarHBondContact O-ND2 3.46Å; R567-N570 HydrophobicContact CB-CB 4.31Å; R567-N570 WeakPolarHBondContact O-CA 3.33Å; R567-N570 VanDerWaalsContact O-CB 3.29Å; R567-N570 WeakPolarHBondContact O-CB 3.34Å; R567-N570 PolarHBondContact O-N 3.18Å; L568-N570 VanDerWaalsContact C-N 3.3Å; L568-N570 PolarHBondContact O-N 3.26Å; N570-F572 PolarHBondContact O-N 3.1Å; N570-R573 WeakPolarHBondContact O-CB 3.49Å; N570-R573 PolarHBondContact O-N 3.1Å; N570-R573 VanDerWaalsContact O-N 3.13Å; N570-R573 PolarHBondContact OD1-NH2 3.3Å; N570-I574 WeakPolarHBondContact O-CG1 3.44Å; N570-I574 PolarHBondContact O-N 3.43Å
571Y85.7Confident87.8Confident0 Ų045.4 Ų45.40%022%0.22CC..Hα-helixtrans-52.9-52.3174.9168.5-113.7000112R567 L568 R573 I574 R575 P667 I668R567-Y571 PolarHBondContact O-N 2.96Å; L568-Y571 HydrophobicContact CD1-CD1 3.93Å; L568-Y571 WeakPolarHBondContact O-CB 3.17Å; L568-Y571 PolarHBondContact O-N 3.21Å; Y571-R573 PolarHBondContact O-N 3.02Å; Y571-I574 PolarHBondContact O-N 2.83Å; Y571-R575 HydrophobicContact CE2-CB 4.28Å; Y571-R575 HydrophobicContact CE2-CG 4.28Å; Y571-R575 WeakPolarHBondContact O-CB 3.42Å; Y571-R575 PolarHBondContact O-N 3.11Å; Y571-P667 WeakPolarHBondContact OH-CB 3.27Å; Y571-I668 HydrophobicContact CD1-CD1 4.18Å; Y571-I668 HydrophobicContact CD1-CG1 4.41Å; Y571-I668 HydrophobicContact CD2-CD1 4.13Å; Y571-I668 HydrophobicContact CD2-CG1 3.77Å; Y571-I668 HydrophobicContact CE1-CD1 4.16Å; Y571-I668 HydrophobicContact CE1-CG1 4.06Å; Y571-I668 HydrophobicContact CE2-CD1 4.14Å; Y571-I668 HydrophobicContact CE2-CG1 3.38Å; Y571-I668 HydrophobicContact CG-CD1 4.15Å; Y571-I668 HydrophobicContact CG-CG1 4.27Å
572F87.5Confident88Confident98 Ų9844.9 Ų44.943%0.4322%0.221SC..Hα-helixtrans-63-31.4-178.9-74.1-61000113.1L568 N570 V664L568-F572 HydrophobicContact CD1-CD2 4.25Å; L568-F572 HydrophobicContact CD1-CE2 3.75Å; L568-F572 HydrophobicContact CD1-CZ 4.27Å; L568-F572 HydrophobicContact CD2-CE2 3.84Å; L568-F572 HydrophobicContact CG-CD2 3.92Å; L568-F572 HydrophobicContact CG-CE2 3.5Å; L568-F572 VanDerWaalsContact CG-CE2 3.5Å; L568-F572 HydrophobicContact CG-CZ 4.42Å; L568-F572 WeakPolarHBondContact O-CD2 3.33Å; L568-F572 PolarHBondContact O-N 3.16Å; L568-F572 VanDerWaalsContact O-N 3.1Å; N570-F572 PolarHBondContact O-N 3.1Å; F572-V664 HydrophobicContact CZ-CG2 4.18Å
573R89.7Confident88.1Confident166 Ų16652.8 Ų52.863%0.62626%0.257SS*.Hα-helixtrans-67.7-44.3174.5-178.2179.665.2175.12.8112.3S569 N570 Y571S569-R573 PolarHBondContact O-N 2.93Å; S569-R573 VanDerWaalsContact O-N 3.15Å; N570-R573 WeakPolarHBondContact O-CB 3.49Å; N570-R573 PolarHBondContact O-N 3.1Å; N570-R573 VanDerWaalsContact O-N 3.13Å; N570-R573 PolarHBondContact OD1-NH2 3.3Å; Y571-R573 PolarHBondContact O-N 3.02Å
574I91.6Very high88.4Confident11 Ų1156.8 Ų56.86%0.05628%0.282CS..Hα-helixtrans-90.8-7.3-17470.1177.6000113.9N570 Y571 S576 E577 L578 L596 S599 I603N570-I574 WeakPolarHBondContact O-CG1 3.44Å; N570-I574 PolarHBondContact O-N 3.43Å; Y571-I574 PolarHBondContact O-N 2.83Å; I574-S576 PolarHBondContact O-N 3.05Å; I574-E577 PolarHBondContact O-N 3.36Å; I574-E577 VanDerWaalsContact O-N 3.13Å; I574-L578 HydrophobicContact CD1-CD1 3.92Å; I574-L578 HydrophobicContact CD1-CG 4.43Å; I574-L578 HydrophobicContact CG1-CD1 3.8Å; I574-L578 HydrophobicContact CG1-CG 4.25Å; I574-L578 WeakPolarHBondContact O-CG 3.36Å; I574-L578 PolarHBondContact O-N 3.49Å; I574-L596 HydrophobicContact CB-CD2 3.67Å; I574-L596 HydrophobicContact CD1-CD2 4.36Å; I574-L596 HydrophobicContact CG1-CD2 4.46Å; I574-L596 HydrophobicContact CG2-CD2 4.01Å; I574-S599 VanDerWaalsContact CD1-CB 3.49Å; I574-I603 HydrophobicContact CD1-CD1 4.32Å
575R92.6Very high88.8Confident91 Ų9155 Ų5534%0.34328%0.283SS..Hα-helixtrans-55.9-42.7-173.2179.8-178175.4-178.81113.8Y571 E577 L578 L579Y571-R575 HydrophobicContact CE2-CB 4.28Å; Y571-R575 HydrophobicContact CE2-CG 4.28Å; Y571-R575 WeakPolarHBondContact O-CB 3.42Å; Y571-R575 PolarHBondContact O-N 3.11Å; R575-E577 VanDerWaalsContact C-N 3.32Å; R575-L578 PolarHBondContact O-N 3.15Å; R575-L579 HydrophobicContact CG-CD1 4.26Å; R575-L579 WeakPolarHBondContact O-CG 3.43Å; R575-L579 PolarHBondContact O-N 2.77Å
576S94.4Very high89.2Confident80 Ų8056.8 Ų56.856%0.55929%0.292SS*.Hα-helixtrans-62.9-41.1178.943.80000111.8I574 L579 N580I574-S576 PolarHBondContact O-N 3.05Å; S576-L579 PolarHBondContact O-N 3.39Å; S576-N580 PolarHBondContact O-N 3.04Å
577E95.5Very high89.9Confident102 Ų10259.9 Ų59.948%0.47731%0.308SS..Hα-helixtrans-68.7-38.6178.3-64.9168.2-162.500111.1I574 R575 N580 L581 L596I574-E577 PolarHBondContact O-N 3.36Å; I574-E577 VanDerWaalsContact O-N 3.13Å; R575-E577 VanDerWaalsContact C-N 3.32Å; E577-N580 PolarHBondContact O-N 3.41Å; E577-L581 PolarHBondContact O-N 2.92Å; E577-L596 HydrophobicContact CB-CD1 3.8Å; E577-L596 HydrophobicContact CB-CD2 4.05Å; E577-L596 WeakPolarHBondContact OE2-CD2 3.24Å
578L95.3Very high90.4Very high0 Ų062.1 Ų62.10%033%0.326CS..Hα-helixtrans-63.2-38.8172.7-71.5175.2000112.9I574 R575 L581 C582 L596 L600 I671I574-L578 HydrophobicContact CD1-CD1 3.92Å; I574-L578 HydrophobicContact CD1-CG 4.43Å; I574-L578 HydrophobicContact CG1-CD1 3.8Å; I574-L578 HydrophobicContact CG1-CG 4.25Å; I574-L578 WeakPolarHBondContact O-CG 3.36Å; I574-L578 PolarHBondContact O-N 3.49Å; R575-L578 PolarHBondContact O-N 3.15Å; L578-L581 HydrophobicContact CD2-CD1 4.19Å; L578-L581 WeakPolarHBondContact O-CB 3.15Å; L578-L581 PolarHBondContact O-N 3.49Å; L578-C582 PolarHBondContact O-N 3.42Å; L578-C582 VanDerWaalsContact O-N 3.16Å; L578-C582 PolarHBondContact O-SG 3.31Å; L578-C582 VanDerWaalsContact O-SG 3.4Å; L578-L596 HydrophobicContact CD2-CB 4.02Å; L578-L596 HydrophobicContact CD2-CD2 4.5Å; L578-L600 HydrophobicContact CD1-CB 4.41Å; L578-L600 HydrophobicContact CD1-CD1 4.24Å; L578-L600 HydrophobicContact CD2-CB 4.11Å; L578-L600 HydrophobicContact CD2-CD2 4.3Å; L578-I671 HydrophobicContact CB-CD1 4.27Å; L578-I671 HydrophobicContact CB-CG2 4.18Å
579L95.7Very high91.1Very high76 Ų7666 Ų6640%0.39836%0.355SS..Hα-helixtrans-67.8-39.9175-70.8171.6000111.4R575 S576 L581 C582 E583 I671R575-L579 HydrophobicContact CG-CD1 4.26Å; R575-L579 WeakPolarHBondContact O-CG 3.43Å; R575-L579 PolarHBondContact O-N 2.77Å; S576-L579 PolarHBondContact O-N 3.39Å; L579-L581 VanDerWaalsContact C-N 3.3Å; L579-L581 PolarHBondContact O-N 2.96Å; L579-C582 VanDerWaalsContact O-CB 3.32Å; L579-C582 WeakPolarHBondContact O-CB 3.49Å; L579-C582 PolarHBondContact O-N 3.46Å; L579-C582 VanDerWaalsContact O-N 3.11Å; L579-E583 PolarHBondContact O-N 3.35Å; L579-I671 HydrophobicContact CD2-CD1 4Å; L579-I671 HydrophobicContact CD2-CG1 3.95Å; L579-I671 HydrophobicContact CG-CD1 4.34Å
580N95.4Very high91.8Very high84 Ų8465.9 Ų65.945%0.44935%0.351SS..Hα-helixtrans-62.6-37.4173.8-176.162.1000112S576 E577 C582 E583 T584S576-N580 PolarHBondContact O-N 3.04Å; E577-N580 PolarHBondContact O-N 3.41Å; N580-C582 VanDerWaalsContact C-N 3.3Å; N580-C582 PolarHBondContact O-N 3.03Å; N580-E583 PolarHBondContact O-N 3.32Å; N580-E583 VanDerWaalsContact O-N 3.15Å; N580-T584 WeakPolarHBondContact O-CB 3.49Å; N580-T584 PolarHBondContact O-N 2.7Å; N580-T584 PolarHBondContact O-OG1 3.3Å
581L94.8Very high92.1Very high1 Ų167.7 Ų67.71%0.00537%0.373CS..Hα-helixtrans-60.3-37.3171.8-88.3162.8000112.6E577 L578 L579 E583 G585 H593 L596 L675E577-L581 PolarHBondContact O-N 2.92Å; L578-L581 HydrophobicContact CD2-CD1 4.19Å; L578-L581 WeakPolarHBondContact O-CB 3.15Å; L578-L581 PolarHBondContact O-N 3.49Å; L579-L581 VanDerWaalsContact C-N 3.3Å; L579-L581 PolarHBondContact O-N 2.96Å; L581-E583 VanDerWaalsContact C-N 3.25Å; L581-E583 PolarHBondContact O-N 3.4Å; L581-G585 WeakPolarHBondContact O-CA 3.12Å; L581-G585 PolarHBondContact O-N 3.02Å; L581-H593 HydrophobicContact CD2-CB 4.2Å; L581-L596 HydrophobicContact CD1-CB 3.74Å; L581-L596 HydrophobicContact CD1-CD1 3.52Å; L581-L596 HydrophobicContact CD1-CG 4.25Å; L581-L596 HydrophobicContact CG-CD1 4.49Å; L581-L675 HydrophobicContact CB-CD2 4.43Å
582C95.1Very high92.4Very high31 Ų3173 Ų7321%0.20940%0.401CS..Hα-helixtrans-63.2-31.7174.8-67.40000112.8L578 L579 N580 I674 L675L578-C582 PolarHBondContact O-N 3.42Å; L578-C582 VanDerWaalsContact O-N 3.16Å; L578-C582 PolarHBondContact O-SG 3.31Å; L578-C582 VanDerWaalsContact O-SG 3.4Å; L579-C582 VanDerWaalsContact O-CB 3.32Å; L579-C582 WeakPolarHBondContact O-CB 3.49Å; L579-C582 PolarHBondContact O-N 3.46Å; L579-C582 VanDerWaalsContact O-N 3.11Å; N580-C582 VanDerWaalsContact C-N 3.3Å; N580-C582 PolarHBondContact O-N 3.03Å; C582-I674 HydrophobicContact CB-CG2 3.8Å; C582-L675 HydrophobicContact CB-CD2 4.49Å
583E94.4Very high92.7Very high167 Ų16769.7 Ų69.778%0.7839%0.387SS*.Hα-helixtrans-84.9-39-179.7-65.3179.3-172.900112.6L579 N580 L581L579-E583 PolarHBondContact O-N 3.35Å; N580-E583 PolarHBondContact O-N 3.32Å; N580-E583 VanDerWaalsContact O-N 3.15Å; L581-E583 VanDerWaalsContact C-N 3.25Å; L581-E583 PolarHBondContact O-N 3.4Å
584T93.8Very high92.8Very high89 Ų8963.2 Ų63.255%0.54636%0.364SS..Hα-helixtrans-92.1-22.3-173.454.50000114N580N580-T584 WeakPolarHBondContact O-CB 3.49Å; N580-T584 PolarHBondContact O-N 2.7Å; N580-T584 PolarHBondContact O-OG1 3.3Å
585G92.4Very high92.8Very high34 Ų3465.9 Ų65.935%0.35138%0.377SS..  trans87.7168.4-173.500000113.4L581L581-G585 WeakPolarHBondContact O-CA 3.12Å; L581-G585 PolarHBondContact O-N 3.02Å
586I93.1Very high92.9Very high43 Ų4362.1 Ų62.122%0.22136%0.364CS..  trans-90.6113.7-178.8-60.3165.2000109.1L482 P588 L597 L675 F676L482-I586 HydrophobicContact CD1-CD1 4.42Å; L482-I586 HydrophobicContact CD1-CG2 4.36Å; L482-I586 HydrophobicContact CD2-CG2 3.71Å; I586-P588 WeakPolarHBondContact O-CD 3.5Å; I586-L597 HydrophobicContact CD1-CD1 3.96Å; I586-L597 HydrophobicContact CD1-CD2 3.95Å; I586-L597 HydrophobicContact CG1-CD1 4.15Å; I586-L597 HydrophobicContact CG1-CD2 4.38Å; I586-L597 HydrophobicContact CG2-CD1 3.59Å; I586-L675 HydrophobicContact CD1-CB 4.43Å; I586-L675 HydrophobicContact CD1-CD2 4.29Å; I586-L675 HydrophobicContact CG1-CD2 4.22Å; I586-F676 HydrophobicContact CD1-CE1 3.96Å; I586-F676 HydrophobicContact CD1-CZ 3.73Å
587D91.4Very high92.9Very high70 Ų7058.4 Ų58.437%0.37434%0.338SS..  trans-83.1112.3163.5-177.3-3.2000111.2S589 N590 H593D587-S589 VanDerWaalsContact CG-OG 3.29Å; D587-S589 PolarHBondContact O-N 3.43Å; D587-S589 WeakPolarHBondContact OD1-CB 3.26Å; D587-S589 PolarHBondContact OD1-N 3.06Å; D587-S589 PolarHBondContact OD1-OG 2.87Å; D587-S589 PolarHBondContact OD2-OG 2.75Å; D587-N590 HydrophobicContact CB-CB 4.09Å; D587-N590 PolarHBondContact O-N 3.48Å; D587-H593 WeakPolarHBondContact CB-ND1 3.48Å; D587-H593 PolarHBondContact N-ND1 3.28Å; D587-H593 PolarHBondContact O-ND1 3.5Å
588P86.4Confident92.8Very high76 Ų7654.7 Ų54.749%0.49432%0.32SS..THydrogen-bonded Turntrans-70.6-8.4178.5-17.533000115L482 I586 H594L482-P588 HydrophobicContact CD2-CB 3.9Å; L482-P588 HydrophobicContact CD2-CG 3.88Å; I586-P588 WeakPolarHBondContact O-CD 3.5Å; P588-H594 PolarHBondContact O-CE1 3.29Å; P588-H594 PolarHBondContact O-NE2 3.33Å
589S88.7Confident92.7Very high102 Ų10254.9 Ų54.971%0.71332%0.321SS*.THydrogen-bonded Turntrans-92.6-11.7176.570.60000112.7D587D587-S589 VanDerWaalsContact CG-OG 3.29Å; D587-S589 PolarHBondContact O-N 3.43Å; D587-S589 WeakPolarHBondContact OD1-CB 3.26Å; D587-S589 PolarHBondContact OD1-N 3.06Å; D587-S589 PolarHBondContact OD1-OG 2.87Å; D587-S589 PolarHBondContact OD2-OG 2.75Å
590N90.9Very high92.6Very high50 Ų5051.3 Ų51.327%0.26730%0.303SS..  trans-91112.7-176.8-171.6-17.5000111.3D587 D592 H593 H594D587-N590 HydrophobicContact CB-CB 4.09Å; D587-N590 PolarHBondContact O-N 3.48Å; N590-D592 PolarHBondContact O-N 2.82Å; N590-D592 WeakPolarHBondContact OD1-CB 3.46Å; N590-D592 PolarHBondContact OD1-N 3.31Å; N590-H593 HydrophobicContact CB-CB 4.15Å; N590-H593 PolarHBondContact ND2-CD2 3.17Å; N590-H593 PolarHBondContact ND2-NE2 3.08Å; N590-H593 WeakPolarHBondContact O-CB 3.32Å; N590-H593 PolarHBondContact O-N 3.43Å; N590-H593 VanDerWaalsContact O-N 3.14Å; N590-H594 PolarHBondContact O-CD2 2.75Å; N590-H594 PolarHBondContact O-N 3.43Å
591G89.7Confident92.6Very high51 Ų5147.7 Ų47.753%0.52628%0.283SS..Hα-helixtrans-59.5-30.4178.100000114.2H594 L595G591-H594 WeakPolarHBondContact O-CB 3.25Å; G591-H594 PolarHBondContact O-N 2.86Å; G591-L595 PolarHBondContact O-N 3.42Å; G591-L595 VanDerWaalsContact O-N 3.07Å
592D91.9Very high92.6Very high110 Ų11047.7 Ų47.759%0.58828%0.283SS*.Hα-helixtrans-70.9-37.4177.9-66.1-24.4000111N590 H594 L595 L596N590-D592 PolarHBondContact O-N 2.82Å; N590-D592 WeakPolarHBondContact OD1-CB 3.46Å; N590-D592 PolarHBondContact OD1-N 3.31Å; D592-H594 VanDerWaalsContact C-N 3.28Å; D592-H594 PolarHBondContact O-N 2.82Å; D592-L595 WeakPolarHBondContact O-CB 3.43Å; D592-L595 PolarHBondContact O-N 2.94Å; D592-L596 WeakPolarHBondContact O-CB 3.35Å; D592-L596 VanDerWaalsContact O-CG 3.31Å; D592-L596 WeakPolarHBondContact O-CG 3.4Å; D592-L596 PolarHBondContact O-N 3.26Å
593H93.7Very high92.4Very high29 Ų2946.2 Ų46.213%0.13427%0.273CS..Hα-helixtrans-62.8-39.3173.9-67.5-171.2000111L581 D587 N590 L596 L597L581-H593 HydrophobicContact CD2-CB 4.2Å; D587-H593 WeakPolarHBondContact CB-ND1 3.48Å; D587-H593 PolarHBondContact N-ND1 3.28Å; D587-H593 PolarHBondContact O-ND1 3.5Å; N590-H593 HydrophobicContact CB-CB 4.15Å; N590-H593 PolarHBondContact ND2-CD2 3.17Å; N590-H593 PolarHBondContact ND2-NE2 3.08Å; N590-H593 WeakPolarHBondContact O-CB 3.32Å; N590-H593 PolarHBondContact O-N 3.43Å; N590-H593 VanDerWaalsContact O-N 3.14Å; H593-L596 PolarHBondContact O-N 3.45Å; H593-L597 WeakPolarHBondContact O-CB 3.2Å; H593-L597 WeakPolarHBondContact O-CG 3.43Å; H593-L597 PolarHBondContact O-N 3.09Å
594H91.3Very high92.4Very high31 Ų3138.2 Ų38.214%0.14424%0.236CC..Hα-helixtrans-62.7-45.4176.5-73.9-141000111.1L482 F483 P588 N590 G591 D592 L597 R598L482-H594 PolarHBondContact O-CE1 3.04Å; L482-H594 PolarHBondContact O-ND1 2.71Å; F483-H594 HydrophobicContact CE1-CB 4.28Å; P588-H594 PolarHBondContact O-CE1 3.29Å; P588-H594 PolarHBondContact O-NE2 3.33Å; N590-H594 PolarHBondContact O-CD2 2.75Å; N590-H594 PolarHBondContact O-N 3.43Å; G591-H594 WeakPolarHBondContact O-CB 3.25Å; G591-H594 PolarHBondContact O-N 2.86Å; D592-H594 VanDerWaalsContact C-N 3.28Å; D592-H594 PolarHBondContact O-N 2.82Å; H594-L597 PolarHBondContact O-N 2.98Å; H594-R598 WeakPolarHBondContact O-CB 3.36Å; H594-R598 VanDerWaalsContact O-CG 3.26Å; H594-R598 WeakPolarHBondContact O-CG 3.29Å; H594-R598 PolarHBondContact O-N 2.88Å
595L92.1Very high92.4Very high66 Ų6634 Ų3435%0.34621%0.21SC..Hα-helixtrans-59-45.7175.7174.560.1000112.4E561 G591 D592 R598 S599E561-L595 HydrophobicContact CG-CD1 3.81Å; E561-L595 WeakPolarHBondContact OE1-CD1 3.24Å; G591-L595 PolarHBondContact O-N 3.42Å; G591-L595 VanDerWaalsContact O-N 3.07Å; D592-L595 WeakPolarHBondContact O-CB 3.43Å; D592-L595 PolarHBondContact O-N 2.94Å; L595-R598 PolarHBondContact O-N 3.23Å; L595-S599 WeakPolarHBondContact O-CB 3.38Å; L595-S599 PolarHBondContact O-N 3.34Å; L595-S599 PolarHBondContact O-OG 3.03Å
596L94.4Very high92.3Very high13 Ų1332.6 Ų32.67%0.06819%0.194CC..Hα-helixtrans-63.5-44.3178.5-73170000112I574 E577 L578 L581 D592 H593 S599 L600I574-L596 HydrophobicContact CB-CD2 3.67Å; I574-L596 HydrophobicContact CD1-CD2 4.36Å; I574-L596 HydrophobicContact CG1-CD2 4.46Å; I574-L596 HydrophobicContact CG2-CD2 4.01Å; E577-L596 HydrophobicContact CB-CD1 3.8Å; E577-L596 HydrophobicContact CB-CD2 4.05Å; E577-L596 WeakPolarHBondContact OE2-CD2 3.24Å; L578-L596 HydrophobicContact CD2-CB 4.02Å; L578-L596 HydrophobicContact CD2-CD2 4.5Å; L581-L596 HydrophobicContact CD1-CB 3.74Å; L581-L596 HydrophobicContact CD1-CD1 3.52Å; L581-L596 HydrophobicContact CD1-CG 4.25Å; L581-L596 HydrophobicContact CG-CD1 4.49Å; D592-L596 WeakPolarHBondContact O-CB 3.35Å; D592-L596 VanDerWaalsContact O-CG 3.31Å; D592-L596 WeakPolarHBondContact O-CG 3.4Å; D592-L596 PolarHBondContact O-N 3.26Å; H593-L596 PolarHBondContact O-N 3.45Å; L596-S599 WeakPolarHBondContact O-CB 3.39Å; L596-S599 PolarHBondContact O-N 2.94Å; L596-L600 WeakPolarHBondContact O-CB 3.44Å; L596-L600 PolarHBondContact O-N 2.99Å
597L94.1Very high92.1Very high2 Ų230.6 Ų30.61%0.0118%0.184CC..Hα-helixtrans-67.8-41.7178.4-70.7172.3000112.4L482 F483 I586 H593 H594 S599 L600 L601 L675 F676L482-L597 HydrophobicContact CD1-CD1 4.18Å; F483-L597 HydrophobicContact CE2-CB 4.48Å; F483-L597 HydrophobicContact CZ-CB 3.73Å; I586-L597 HydrophobicContact CD1-CD1 3.96Å; I586-L597 HydrophobicContact CD1-CD2 3.95Å; I586-L597 HydrophobicContact CG1-CD1 4.15Å; I586-L597 HydrophobicContact CG1-CD2 4.38Å; I586-L597 HydrophobicContact CG2-CD1 3.59Å; H593-L597 WeakPolarHBondContact O-CB 3.2Å; H593-L597 WeakPolarHBondContact O-CG 3.43Å; H593-L597 PolarHBondContact O-N 3.09Å; H594-L597 PolarHBondContact O-N 2.98Å; L597-S599 VanDerWaalsContact C-N 3.3Å; L597-S599 PolarHBondContact O-N 2.94Å; L597-L600 PolarHBondContact O-N 3.45Å; L597-L601 WeakPolarHBondContact O-CB 3.39Å; L597-L601 VanDerWaalsContact O-CG 3.29Å; L597-L601 WeakPolarHBondContact O-CG 3.32Å; L597-L601 PolarHBondContact O-N 3.26Å; L597-L675 HydrophobicContact CD2-CD1 3.99Å; L597-F676 HydrophobicContact CD2-CE2 4.21Å; L597-F676 HydrophobicContact CD2-CZ 4.23Å
598R93.7Very high92.2Very high23 Ų2327.3 Ų27.39%0.08717%0.166CC..Hα-helixtrans-59.7-43.4173.8-72.3-174.8-70.4135.71.9111.2F483 I491 E561 H594 L595 L601 M602F483-R598 HydrophobicContact CD1-CG 4.1Å; F483-R598 HydrophobicContact CE1-CG 3.38Å; F483-R598 HydrophobicContact CZ-CG 3.66Å; I491-R598 HydrophobicContact CD1-CB 4.43Å; I491-R598 HydrophobicContact CD1-CG 3.82Å; E561-R598 IonicContact OE1-CZ 2.73Å; E561-R598 IonicContact OE1-NE 3.89Å; E561-R598 IonicContact OE1-NH1 3.88Å; E561-R598 PolarHBondContact OE1-NH1 3.45Å; E561-R598 IonicContact OE1-NH2 3.85Å; E561-R598 PolarHBondContact OE1-NH2 3.5Å; E561-R598 VanDerWaalsContact OE1-NH2 3.1Å; E561-R598 IonicContact OE2-CZ 3.91Å; E561-R598 VanDerWaalsContact OE2-CZ 3.31Å; E561-R598 IonicContact OE2-NH1 3.68Å; E561-R598 PolarHBondContact OE2-NH1 3.01Å; E561-R598 IonicContact OE2-NH2 3.91Å; E561-R598 PolarHBondContact OE2-NH2 3.35Å; H594-R598 WeakPolarHBondContact O-CB 3.36Å; H594-R598 VanDerWaalsContact O-CG 3.26Å; H594-R598 WeakPolarHBondContact O-CG 3.29Å; H594-R598 PolarHBondContact O-N 2.88Å; L595-R598 PolarHBondContact O-N 3.23Å; R598-L601 PolarHBondContact O-N 3.32Å; R598-M602 WeakPolarHBondContact O-CB 3.32Å; R598-M602 PolarHBondContact O-N 3.16Å
599S93.6Very high92.3Very high5 Ų524 Ų244%0.03514%0.144CC..Hα-helixtrans-61.2-48.8175.6-64.10000111.8I574 L595 L596 L597 L601 M602 I603I574-S599 VanDerWaalsContact CD1-CB 3.49Å; L595-S599 WeakPolarHBondContact O-CB 3.38Å; L595-S599 PolarHBondContact O-N 3.34Å; L595-S599 PolarHBondContact O-OG 3.03Å; L596-S599 WeakPolarHBondContact O-CB 3.39Å; L596-S599 PolarHBondContact O-N 2.94Å; L597-S599 VanDerWaalsContact C-N 3.3Å; L597-S599 PolarHBondContact O-N 2.94Å; S599-L601 PolarHBondContact O-N 2.81Å; S599-M602 PolarHBondContact O-N 2.92Å; S599-I603 WeakPolarHBondContact O-CD1 3.49Å; S599-I603 VanDerWaalsContact O-CG1 3.23Å; S599-I603 WeakPolarHBondContact O-CG1 3.31Å; S599-I603 PolarHBondContact O-N 3.42Å
600L94.6Very high92.5Very high1 Ų119.5 Ų19.51%0.00511%0.112CC..Hα-helixtrans-59.4-45.6178.117663.4000112L578 L596 L597 I603 A604 I668 I671 L672 L675L578-L600 HydrophobicContact CD1-CB 4.41Å; L578-L600 HydrophobicContact CD1-CD1 4.24Å; L578-L600 HydrophobicContact CD2-CB 4.11Å; L578-L600 HydrophobicContact CD2-CD2 4.3Å; L596-L600 WeakPolarHBondContact O-CB 3.44Å; L596-L600 PolarHBondContact O-N 2.99Å; L597-L600 PolarHBondContact O-N 3.45Å; L600-I603 PolarHBondContact O-N 3.32Å; L600-A604 WeakPolarHBondContact O-CB 3.16Å; L600-A604 PolarHBondContact O-N 3.28Å; L600-I668 HydrophobicContact CD1-CG2 4.03Å; L600-I671 HydrophobicContact CD1-CG2 4.31Å; L600-I671 HydrophobicContact CD2-CG2 3.83Å; L600-L672 HydrophobicContact CD2-CD1 4.04Å; L600-L672 HydrophobicContact CG-CD1 4.23Å; L600-L675 HydrophobicContact CD2-CD1 3.76Å
601L94.5Very high92.6Very high8 Ų817.3 Ų17.34%0.04210%0.1CC..Hα-helixtrans-60.6-46.6178.1-73.5170.9000111.4L472 L479 F483 L597 R598 S599 I603 A604 C605 L672L472-L601 HydrophobicContact CD1-CD2 3.98Å; L479-L601 HydrophobicContact CD1-CD1 4.44Å; L479-L601 HydrophobicContact CD1-CD2 4.3Å; L479-L601 HydrophobicContact CD2-CD1 3.77Å; L479-L601 HydrophobicContact CD2-CD2 4.33Å; F483-L601 HydrophobicContact CD2-CD1 4.38Å; F483-L601 HydrophobicContact CE2-CD1 3.57Å; F483-L601 HydrophobicContact CZ-CD1 4.24Å; L597-L601 WeakPolarHBondContact O-CB 3.39Å; L597-L601 VanDerWaalsContact O-CG 3.29Å; L597-L601 WeakPolarHBondContact O-CG 3.32Å; L597-L601 PolarHBondContact O-N 3.26Å; R598-L601 PolarHBondContact O-N 3.32Å; S599-L601 PolarHBondContact O-N 2.81Å; L601-I603 PolarHBondContact O-N 2.85Å; L601-A604 PolarHBondContact O-N 3.22Å; L601-C605 WeakPolarHBondContact O-CB 3.43Å; L601-C605 PolarHBondContact O-N 2.86Å; L601-C605 PolarHBondContact O-SG 3.32Å; L601-L672 HydrophobicContact CD2-CD1 4.3Å
602M93.9Very high92.6Very high0 Ų015.4 Ų15.40%08%0.078CC..Hα-helixtrans-61.5-44.7178.9-175.265.7-163.300111.9A494 C495 H498 A562 N566 R598 S599 C605 Y606A494-M602 HydrophobicContact CB-SD 4.25Å; C495-M602 VanDerWaalsContact SG-SD 3.69Å; H498-M602 HydrophobicContact CB-CE 3.81Å; A562-M602 HydrophobicContact CB-CG 4.37Å; A562-M602 HydrophobicContact CB-SD 4.37Å; A562-M602 VanDerWaalsContact O-CG 3.32Å; A562-M602 WeakPolarHBondContact O-CG 3.33Å; N566-M602 HydrophobicContact CB-CE 3.93Å; N566-M602 HydrophobicContact CB-CG 4.01Å; R598-M602 WeakPolarHBondContact O-CB 3.32Å; R598-M602 PolarHBondContact O-N 3.16Å; S599-M602 PolarHBondContact O-N 2.92Å; M602-C605 PolarHBondContact O-N 3.24Å; M602-Y606 WeakPolarHBondContact O-CB 3.46Å; M602-Y606 PolarHBondContact O-N 3.09Å
603I92Very high92.6Very high0 Ų012 Ų120%07%0.065CC..Hα-helixtrans-62.3-44.9177.2-67.1159.3000110.6A565 I574 S599 L600 L601 C605 Y606 M607 I668A565-I603 WeakPolarHBondContact O-CD1 3.39Å; A565-I603 VanDerWaalsContact O-CG1 3.22Å; A565-I603 WeakPolarHBondContact O-CG1 3.45Å; I574-I603 HydrophobicContact CD1-CD1 4.32Å; S599-I603 WeakPolarHBondContact O-CD1 3.49Å; S599-I603 VanDerWaalsContact O-CG1 3.23Å; S599-I603 WeakPolarHBondContact O-CG1 3.31Å; S599-I603 PolarHBondContact O-N 3.42Å; L600-I603 PolarHBondContact O-N 3.32Å; L601-I603 PolarHBondContact O-N 2.85Å; I603-C605 PolarHBondContact O-N 3.46Å; I603-Y606 PolarHBondContact O-N 3.41Å; I603-M607 HydrophobicContact CG2-CE 3.88Å; I603-M607 HydrophobicContact CG2-SD 4.21Å; I603-M607 WeakPolarHBondContact O-CG 3.45Å; I603-M607 PolarHBondContact O-N 2.82Å; I603-I668 HydrophobicContact CG2-CD1 3.63Å; I603-I668 HydrophobicContact CG2-CG1 4.36Å; I603-I668 HydrophobicContact CG2-CG2 4.28Å
604A93.9Very high92.5Very high0 Ų010.9 Ų10.90%06%0.059CC..Hα-helixtrans-63-41.6178.500000112.1L600 L601 M607 S608 I668 F669 L672L600-A604 WeakPolarHBondContact O-CB 3.16Å; L600-A604 PolarHBondContact O-N 3.28Å; L601-A604 PolarHBondContact O-N 3.22Å; A604-M607 CarbonylContact O-C 3.4Å; A604-M607 PolarHBondContact O-N 2.92Å; A604-S608 PolarHBondContact O-N 3.03Å; A604-S608 VanDerWaalsContact O-N 3.15Å; A604-I668 HydrophobicContact CB-CG2 4.4Å; A604-F669 HydrophobicContact CB-CE1 4.23Å; A604-F669 HydrophobicContact CB-CZ 4.25Å; A604-F669 WeakPolarHBondContact O-CZ 3.28Å; A604-L672 HydrophobicContact CB-CD2 3.99Å
605C94.2Very high92.5Very high0 Ų012 Ų120%07%0.067CC..Hα-helixtrans-61.2-46.7174.5-69.10000111.8T465 F468 C469 L601 M602 I603 M607 S608T465-C605 HydrophobicContact CG2-CB 4Å; F468-C605 HydrophobicContact CD1-CB 4.49Å; C469-C605 VanDerWaalsContact CA-SG 3.53Å; C469-C605 VanDerWaalsContact CB-SG 3.55Å; L601-C605 WeakPolarHBondContact O-CB 3.43Å; L601-C605 PolarHBondContact O-N 2.86Å; L601-C605 PolarHBondContact O-SG 3.32Å; M602-C605 PolarHBondContact O-N 3.24Å; I603-C605 PolarHBondContact O-N 3.46Å; C605-M607 VanDerWaalsContact C-N 3.27Å; C605-M607 PolarHBondContact O-N 3.4Å; C605-S608 WeakPolarHBondContact O-CB 3.36Å; C605-S608 PolarHBondContact O-N 3.34Å; C605-S608 VanDerWaalsContact O-N 3.14Å; C605-S608 PolarHBondContact O-OG 3.06Å
606Y89.8Confident92.4Very high4 Ų49.6 Ų9.62%0.0165%0.054CC..Hα-helixtrans-60.3-38.2179.4178.1-107.9000111.9H461 H498 V512 E514 M602 I603 S608H461-Y606 AromaticContact NE2-CE2 3.92Å; H498-Y606 AromaticContact CD2-CD2 3.64Å; H498-Y606 AromaticContact CD2-CE2 3.73Å; H498-Y606 AromaticContact NE2-CD2 3.71Å; H498-Y606 AromaticContact NE2-CE2 3.69Å; V512-Y606 HydrophobicContact CG1-CE1 4.32Å; V512-Y606 HydrophobicContact CG1-CE2 3.82Å; V512-Y606 VanDerWaalsContact CG1-CZ 3.41Å; V512-Y606 WeakPolarHBondContact CG1-OH 3.37Å; E514-Y606 PolarHBondContact OE1-OH 3.11Å; E514-Y606 VanDerWaalsContact OE1-OH 3.1Å; M602-Y606 WeakPolarHBondContact O-CB 3.46Å; M602-Y606 PolarHBondContact O-N 3.09Å; I603-Y606 PolarHBondContact O-N 3.41Å; Y606-S608 VanDerWaalsContact C-N 3.33Å; Y606-S608 PolarHBondContact O-N 3.03Å
607M89.7Confident92.3Very high2 Ų29 Ų91%0.015%0.051CC..THydrogen-bonded Turntrans-899.8178.7-63.2-175.2-171.500114.6L568 I603 A604 C605 H609 H610 Y660 V664 V665 I668 F669L568-M607 HydrophobicContact CD1-CE 4.13Å; I603-M607 HydrophobicContact CG2-CE 3.88Å; I603-M607 HydrophobicContact CG2-SD 4.21Å; I603-M607 WeakPolarHBondContact O-CG 3.45Å; I603-M607 PolarHBondContact O-N 2.82Å; A604-M607 CarbonylContact O-C 3.4Å; A604-M607 PolarHBondContact O-N 2.92Å; C605-M607 VanDerWaalsContact C-N 3.27Å; C605-M607 PolarHBondContact O-N 3.4Å; M607-H609 VanDerWaalsContact C-N 3.26Å; M607-H609 PolarHBondContact O-N 3.44Å; M607-H609 VanDerWaalsContact O-N 3.13Å; M607-H610 WeakPolarHBondContact O-CB 3.14Å; M607-H610 PolarHBondContact O-CD2 3.17Å; M607-H610 PolarHBondContact O-N 2.82Å; M607-H610 VanDerWaalsContact O-N 3.1Å; M607-Y660 WeakPolarHBondContact CE-OH 3.38Å; M607-V664 HydrophobicContact CE-CG1 3.57Å; M607-V664 HydrophobicContact SD-CG1 3.77Å; M607-V665 HydrophobicContact SD-CG2 4.32Å; M607-I668 HydrophobicContact CE-CD1 3.83Å; M607-I668 HydrophobicContact SD-CD1 3.44Å; M607-I668 WeakPolarHBondContact SD-CD1 3.36Å; M607-F669 HydrophobicContact CB-CE2 4.27Å
608S92.5Very high92.2Very high0 Ų09.3 Ų9.30%05%0.052CC..G310 helixtrans-56.3-34.1-171.255.50000114.5F468 A604 C605 Y606 H610 V611 M612F468-S608 VanDerWaalsContact CD2-CB 3.47Å; A604-S608 PolarHBondContact O-N 3.03Å; A604-S608 VanDerWaalsContact O-N 3.15Å; C605-S608 WeakPolarHBondContact O-CB 3.36Å; C605-S608 PolarHBondContact O-N 3.34Å; C605-S608 VanDerWaalsContact O-N 3.14Å; C605-S608 PolarHBondContact O-OG 3.06Å; Y606-S608 VanDerWaalsContact C-N 3.33Å; Y606-S608 PolarHBondContact O-N 3.03Å; S608-H610 PolarHBondContact O-N 3.37Å; S608-H610 VanDerWaalsContact O-N 3.14Å; S608-V611 WeakPolarHBondContact O-CG2 3.3Å; S608-V611 PolarHBondContact O-N 3.06Å; S608-V611 VanDerWaalsContact O-N 3.07Å; S608-M612 WeakPolarHBondContact O-CG 3.06Å; S608-M612 PolarHBondContact O-N 2.91Å
609H90Very high92.1Very high7 Ų711.7 Ų11.73%0.0326%0.063CC..G310 helixtrans-62.2-23.2-17970.9-83.1000113.8Y456 M607 S617 C620Y456-H609 AromaticContact CZ-CE1 3.97Å; Y456-H609 PolarHBondContact OH-CE1 3.13Å; Y456-H609 PolarHBondContact OH-ND1 3.39Å; M607-H609 VanDerWaalsContact C-N 3.26Å; M607-H609 PolarHBondContact O-N 3.44Å; M607-H609 VanDerWaalsContact O-N 3.13Å; H609-S617 WeakPolarHBondContact O-CB 3.43Å; H609-C620 HydrophobicContact CB-CB 4.09Å
610H91.9Very high92Very high7 Ų711.8 Ų11.83%0.0326%0.064CC..G310 helixtrans-76.2-19.9177-65.3-69.2000114M607 S608 Q657 Y660 L661 V665 N689M607-H610 WeakPolarHBondContact O-CB 3.14Å; M607-H610 PolarHBondContact O-CD2 3.17Å; M607-H610 PolarHBondContact O-N 2.82Å; M607-H610 VanDerWaalsContact O-N 3.1Å; S608-H610 PolarHBondContact O-N 3.37Å; S608-H610 VanDerWaalsContact O-N 3.14Å; H610-Q657 PolarHBondContact CE1-NE2 3.09Å; H610-Q657 PolarHBondContact ND1-NE2 3.43Å; H610-Y660 AromaticContact CD2-CE1 3.99Å; H610-Y660 AromaticContact CE1-CD1 3.75Å; H610-Y660 AromaticContact CE1-CE1 3.89Å; H610-Y660 AromaticContact NE2-CD1 3.6Å; H610-Y660 AromaticContact NE2-CE1 3.25Å; H610-Y660 VanDerWaalsContact NE2-CE1 3.25Å; H610-Y660 WeakPolarHBondContact NE2-CE1 3.28Å; H610-L661 HydrophobicContact CB-CD2 3.82Å; H610-V665 HydrophobicContact CB-CB 4.47Å; H610-V665 HydrophobicContact CB-CG1 3.7Å; H610-V665 HydrophobicContact CB-CG2 4.04Å; H610-N689 PolarHBondContact O-ND2 3.42Å
611V92.8Very high91.9Very high4 Ų411.8 Ų11.82%0.0246%0.064CC..THydrogen-bonded Turntrans-101.5-3.7177-63.90000113F468 S608 V665 F669 F682 S685 A686F468-V611 HydrophobicContact CE2-CG2 3.72Å; F468-V611 HydrophobicContact CZ-CG2 3.78Å; S608-V611 WeakPolarHBondContact O-CG2 3.3Å; S608-V611 PolarHBondContact O-N 3.06Å; S608-V611 VanDerWaalsContact O-N 3.07Å; V611-V665 HydrophobicContact CG1-CG1 4.44Å; V611-F669 HydrophobicContact CB-CE1 4.37Å; V611-F669 HydrophobicContact CB-CE2 4.49Å; V611-F669 HydrophobicContact CB-CZ 4.26Å; V611-F669 HydrophobicContact CG1-CD1 3.77Å; V611-F669 HydrophobicContact CG1-CD2 3.42Å; V611-F669 VanDerWaalsContact CG1-CD2 3.42Å; V611-F669 HydrophobicContact CG1-CE1 3.72Å; V611-F669 HydrophobicContact CG1-CE2 3.37Å; V611-F669 HydrophobicContact CG1-CG 3.62Å; V611-F669 HydrophobicContact CG1-CZ 3.52Å; V611-F669 HydrophobicContact CG2-CE1 3.82Å; V611-F669 HydrophobicContact CG2-CE2 4.31Å; V611-F669 HydrophobicContact CG2-CZ 3.67Å; V611-F682 HydrophobicContact CB-CB 4.02Å; V611-F682 HydrophobicContact CB-CD1 4.22Å; V611-F682 HydrophobicContact CG1-CB 4.13Å; V611-F682 VanDerWaalsContact CG1-O 3.3Å; V611-F682 WeakPolarHBondContact CG1-O 3.37Å; V611-F682 HydrophobicContact CG2-CB 4.16Å; V611-F682 HydrophobicContact CG2-CD1 3.86Å; V611-F682 HydrophobicContact CG2-CG 4.23Å; V611-S685 WeakPolarHBondContact O-CB 3.39Å; V611-A686 HydrophobicContact CG1-CB 3.74Å
612M90.5Very high91.8Very high11 Ų1112.6 Ų12.65%0.0547%0.067CC..SBendtrans-74.8175.4173.8-69178-175.800111.2T407 I464 F468 S608 I616 N689T407-M612 HydrophobicContact CG2-CE 4.18Å; T407-M612 HydrophobicContact CG2-SD 3.3Å; T407-M612 WeakPolarHBondContact CG2-SD 3.48Å; T407-M612 PolarHBondContact OG1-SD 2.74Å; I464-M612 HydrophobicContact CG2-CE 3.4Å; I464-M612 VanDerWaalsContact CG2-CE 3.4Å; I464-M612 HydrophobicContact CG2-SD 3.86Å; F468-M612 HydrophobicContact CD2-CE 4.09Å; S608-M612 WeakPolarHBondContact O-CG 3.06Å; S608-M612 PolarHBondContact O-N 2.91Å; M612-I616 HydrophobicContact CB-CB 4.31Å; M612-I616 HydrophobicContact CB-CG2 4.09Å; M612-I616 HydrophobicContact SD-CG2 4.15Å; M612-N689 PolarHBondContact O-ND2 3.09Å
613A90.8Very high91.7Very high39 Ų3915.7 Ų15.732%0.3228%0.081SC..  trans-54.9147.1177.900000111.9D615 I616 S617A613-D615 VanDerWaalsContact C-N 3.26Å; A613-D615 WeakPolarHBondContact CB-OD1 2.9Å; A613-D615 PolarHBondContact O-N 3.28Å; A613-I616 HydrophobicContact CB-CD1 4.48Å; A613-I616 WeakPolarHBondContact O-CA 3.39Å; A613-I616 WeakPolarHBondContact O-CB 3.23Å; A613-I616 PolarHBondContact O-N 2.97Å; A613-S617 PolarHBondContact O-N 3.07Å; A613-S617 VanDerWaalsContact O-N 3.09Å
614W93Very high91.6Very high5 Ų517.2 Ų17.22%0.0199%0.088CC..Hα-helixtrans-57.6-38.7-171.6175.8-151000112.7I616 S617 K618 Y688 N689 C692 Y693 M696W614-I616 PolarHBondContact O-N 3.1Å; W614-I616 VanDerWaalsContact O-N 3.09Å; W614-S617 PolarHBondContact O-N 3.44Å; W614-K618 HydrophobicContact CD2-CB 4.42Å; W614-K618 HydrophobicContact CE3-CB 3.93Å; W614-K618 HydrophobicContact CH2-CB 3.08Å; W614-K618 HydrophobicContact CH2-CD 4.37Å; W614-K618 HydrophobicContact CH2-CG 4.33Å; W614-K618 HydrophobicContact CZ2-CB 3.78Å; W614-K618 HydrophobicContact CZ2-CD 4.24Å; W614-K618 HydrophobicContact CZ3-CB 3.18Å; W614-K618 HydrophobicContact CZ3-CG 4.39Å; W614-K618 PolarHBondContact O-N 3.47Å; W614-Y688 HydrophobicContact CB-CE1 4.39Å; W614-N689 WeakPolarHBondContact CA-OD1 3.33Å; W614-N689 WeakPolarHBondContact CB-OD1 3.48Å; W614-C692 HydrophobicContact CD2-CB 3.95Å; W614-C692 HydrophobicContact CG-CB 3.89Å; W614-Y693 AromaticContact CE3-CE2 3.89Å; W614-Y693 HydrophobicContact CE3-CE2 3.89Å; W614-Y693 AromaticContact CE3-CZ 3.99Å; W614-Y693 AromaticContact CH2-CD1 3.63Å; W614-Y693 HydrophobicContact CH2-CD1 3.63Å; W614-Y693 HydrophobicContact CH2-CD2 4.29Å; W614-Y693 AromaticContact CH2-CE1 3.06Å; W614-Y693 HydrophobicContact CH2-CE1 3.06Å; W614-Y693 AromaticContact CH2-CE2 3.8Å; W614-Y693 HydrophobicContact CH2-CE2 3.8Å; W614-Y693 HydrophobicContact CH2-CG 4.24Å; W614-Y693 AromaticContact CH2-CZ 3.2Å; W614-Y693 HydrophobicContact CZ2-CD1 4.21Å; W614-Y693 HydrophobicContact CZ2-CE1 4.05Å; W614-Y693 HydrophobicContact CZ3-CD1 4.2Å; W614-Y693 HydrophobicContact CZ3-CD2 4.11Å; W614-Y693 AromaticContact CZ3-CE1 3.44Å; W614-Y693 HydrophobicContact CZ3-CE1 3.44Å; W614-Y693 VanDerWaalsContact CZ3-CE1 3.44Å; W614-Y693 AromaticContact CZ3-CE2 3.31Å; W614-Y693 HydrophobicContact CZ3-CE2 3.31Å; W614-Y693 AromaticContact CZ3-CZ 2.96Å; W614-Y693 WeakPolarHBondContact CZ3-OH 3.24Å; W614-M696 HydrophobicContact CH2-CE 4.41Å; W614-M696 HydrophobicContact CZ2-CE 3.74Å; W614-M696 HydrophobicContact CZ2-SD 4.48Å
615D89.9Confident91.3Very high56 Ų5617.4 Ų17.430%0.2999%0.089SC..Hα-helixtrans-59.5-23176.461.3-54.4000114.3A613 K618 K619A613-D615 VanDerWaalsContact C-N 3.26Å; A613-D615 WeakPolarHBondContact CB-OD1 2.9Å; A613-D615 PolarHBondContact O-N 3.28Å; D615-K618 WeakPolarHBondContact O-CG 3.39Å; D615-K619 WeakPolarHBondContact O-CD 3.31Å; D615-K619 VanDerWaalsContact O-CG 3.27Å; D615-K619 WeakPolarHBondContact O-CG 3.47Å
616I89.8Confident91.1Very high15 Ų1520.6 Ų20.68%0.07710%0.104CC..Hα-helixtrans-90.8-50.1178.6-60-175.6000109.8T407 M612 A613 W614 K618 K619 C620T407-I616 HydrophobicContact CG2-CD1 3.83Å; T407-I616 HydrophobicContact CG2-CG2 4.02Å; T407-I616 WeakPolarHBondContact OG1-CD1 3.37Å; M612-I616 HydrophobicContact CB-CB 4.31Å; M612-I616 HydrophobicContact CB-CG2 4.09Å; M612-I616 HydrophobicContact SD-CG2 4.15Å; A613-I616 HydrophobicContact CB-CD1 4.48Å; A613-I616 WeakPolarHBondContact O-CA 3.39Å; A613-I616 WeakPolarHBondContact O-CB 3.23Å; A613-I616 PolarHBondContact O-N 2.97Å; W614-I616 PolarHBondContact O-N 3.1Å; W614-I616 VanDerWaalsContact O-N 3.09Å; I616-K618 PolarHBondContact O-N 3.14Å; I616-K618 VanDerWaalsContact O-N 3.15Å; I616-K619 PolarHBondContact O-N 3.21Å; I616-C620 PolarHBondContact O-N 3.14Å
617S92.3Very high91Very high0 Ų020.5 Ų20.50%010%0.104CC..Hα-helixtrans-53.8-37.7177174.20000111.2H609 A613 W614 A621 Y693H609-S617 WeakPolarHBondContact O-CB 3.43Å; A613-S617 PolarHBondContact O-N 3.07Å; A613-S617 VanDerWaalsContact O-N 3.09Å; W614-S617 PolarHBondContact O-N 3.44Å; S617-A621 WeakPolarHBondContact O-CB 3.46Å; S617-A621 PolarHBondContact O-N 3.13Å; S617-Y693 PolarHBondContact O-OH 3.3Å; S617-Y693 PolarHBondContact OG-OH 2.9Å
618K93.2Very high90.8Very high9 Ų920.7 Ų20.74%0.03911%0.105CC..Hα-helixtrans-69.2-41.8178.278.8-163.4-173.798.30112.9W614 D615 I616 A621 F622 F715 E721W614-K618 HydrophobicContact CD2-CB 4.42Å; W614-K618 HydrophobicContact CE3-CB 3.93Å; W614-K618 HydrophobicContact CH2-CB 3.08Å; W614-K618 HydrophobicContact CH2-CD 4.37Å; W614-K618 HydrophobicContact CH2-CG 4.33Å; W614-K618 HydrophobicContact CZ2-CB 3.78Å; W614-K618 HydrophobicContact CZ2-CD 4.24Å; W614-K618 HydrophobicContact CZ3-CB 3.18Å; W614-K618 HydrophobicContact CZ3-CG 4.39Å; W614-K618 PolarHBondContact O-N 3.47Å; D615-K618 WeakPolarHBondContact O-CG 3.39Å; I616-K618 PolarHBondContact O-N 3.14Å; I616-K618 VanDerWaalsContact O-N 3.15Å; K618-A621 PolarHBondContact O-N 3.03Å; K618-F622 PolarHBondContact O-N 3.1Å; K618-F715 HydrophobicContact CB-CB 4.35Å; K618-F715 VanDerWaalsContact CD-O 3.29Å; K618-F715 WeakPolarHBondContact CD-O 3.2Å; K618-F715 WeakPolarHBondContact CG-O 3.31Å; K618-F715 PolarHBondContact NZ-O 3.33Å; K618-F715 WeakPolarHBondContact O-CB 3.3Å; K618-E721 WeakPolarHBondContact CE-OE2 3.24Å; K618-E721 IonicContact NZ-OE2 3.22Å; K618-E721 PolarHBondContact NZ-OE2 3.23Å
619K91.9Very high90.5Very high73 Ų7320.9 Ų20.932%0.31711%0.105SC..Hα-helixtrans-66.2-42177.5-72.9173.8-176.5174.20110.9D615 I616 F622 H623D615-K619 WeakPolarHBondContact O-CD 3.31Å; D615-K619 VanDerWaalsContact O-CG 3.27Å; D615-K619 WeakPolarHBondContact O-CG 3.47Å; I616-K619 PolarHBondContact O-N 3.21Å; K619-F622 WeakPolarHBondContact O-CB 3.29Å; K619-F622 PolarHBondContact O-N 3.25Å; K619-H623 PolarHBondContact O-CD2 3.33Å; K619-H623 PolarHBondContact O-N 3.37Å
620C91.4Very high90.3Very high7 Ų722.4 Ų22.45%0.04712%0.119CC..Hα-helixtrans-61.8-45.4173.8-70.90000111.3Y456 H609 I616 F622 H623 F624Y456-C620 HydrophobicContact CE2-CB 4.16Å; H609-C620 HydrophobicContact CB-CB 4.09Å; I616-C620 PolarHBondContact O-N 3.14Å; C620-F622 VanDerWaalsContact C-N 3.34Å; C620-F622 PolarHBondContact O-N 2.96Å; C620-H623 PolarHBondContact O-N 2.77Å; C620-F624 WeakPolarHBondContact O-CB 3.26Å; C620-F624 PolarHBondContact O-N 3.01Å
621A91.7Very high89.7Confident1 Ų122.7 Ų22.71%0.00812%0.12CC..Hα-helixtrans-60.1-42174.500000112.3S617 K618 F624 F625 F715S617-A621 WeakPolarHBondContact O-CB 3.46Å; S617-A621 PolarHBondContact O-N 3.13Å; K618-A621 PolarHBondContact O-N 3.03Å; A621-F624 PolarHBondContact O-N 3.03Å; A621-F625 WeakPolarHBondContact O-CD2 3.5Å; A621-F625 PolarHBondContact O-N 3.13Å; A621-F715 HydrophobicContact CB-CD2 4.39Å; A621-F715 HydrophobicContact CB-CE2 4.29Å; A621-F715 HydrophobicContact CB-CZ 4.35Å
622F93.1Very high89.2Confident24 Ų2422.5 Ų22.511%0.10512%0.119CC..Hα-helixtrans-54-55.1173.8174.3-90.3000111.5K618 K619 C620 F624 F625 E626 I712 F715 I716K618-F622 PolarHBondContact O-N 3.1Å; K619-F622 WeakPolarHBondContact O-CB 3.29Å; K619-F622 PolarHBondContact O-N 3.25Å; C620-F622 VanDerWaalsContact C-N 3.34Å; C620-F622 PolarHBondContact O-N 2.96Å; F622-F624 VanDerWaalsContact C-N 3.33Å; F622-F624 PolarHBondContact O-N 3.16Å; F622-F625 PolarHBondContact O-N 3.19Å; F622-E626 WeakPolarHBondContact CE1-OE2 3.3Å; F622-E626 VanDerWaalsContact O-CB 3.27Å; F622-E626 WeakPolarHBondContact O-CB 3.27Å; F622-E626 PolarHBondContact O-N 3.02Å; F622-I712 HydrophobicContact CD2-CB 4.11Å; F622-I712 HydrophobicContact CD2-CD1 4.4Å; F622-I712 HydrophobicContact CD2-CG1 4.29Å; F622-I712 WeakPolarHBondContact CD2-O 3.37Å; F622-I712 HydrophobicContact CE2-CB 4.18Å; F622-I712 HydrophobicContact CE2-CD1 3.81Å; F622-I712 HydrophobicContact CE2-CG1 3.84Å; F622-I712 HydrophobicContact CZ-CD1 4.1Å; F622-F715 HydrophobicContact CB-CB 3.98Å; F622-F715 HydrophobicContact CB-CD2 4.32Å; F622-I716 HydrophobicContact CB-CG2 4.07Å; F622-I716 HydrophobicContact CD1-CG2 4.34Å; F622-I716 HydrophobicContact CD2-CD1 4.1Å; F622-I716 HydrophobicContact CD2-CG1 4.06Å; F622-I716 HydrophobicContact CD2-CG2 3.78Å; F622-I716 HydrophobicContact CE2-CD1 3.6Å; F622-I716 HydrophobicContact CE2-CG1 4.01Å; F622-I716 HydrophobicContact CE2-CG2 4.35Å; F622-I716 HydrophobicContact CG-CG2 3.79Å; F622-I716 HydrophobicContact CZ-CD1 3.98Å
623H91.3Very high88.9Confident65 Ų6524.4 Ų24.430%0.30113%0.13SC..Hα-helixtrans-64.6-37.6-179-70-48.7000112.5P455 K619 C620 E626 E627P455-H623 HydrophobicContact CB-CB 4.2Å; P455-H623 WeakPolarHBondContact O-CB 2.96Å; K619-H623 PolarHBondContact O-CD2 3.33Å; K619-H623 PolarHBondContact O-N 3.37Å; C620-H623 PolarHBondContact O-N 2.77Å; H623-E626 IonicContact ND1-OE2 3.93Å; H623-E626 PolarHBondContact ND1-OE2 2.71Å; H623-E626 PolarHBondContact O-N 3.09Å; H623-E627 VanDerWaalsContact O-CB 3.3Å; H623-E627 WeakPolarHBondContact O-CB 3.05Å; H623-E627 PolarHBondContact O-N 3.15Å
624F89.4Confident88.5Confident32 Ų3226.9 Ų26.914%0.1414%0.137CC..Hα-helixtrans-60.6-51.9176.5169.4-108.5000111.4Y456 E514 C620 A621 F622 E627 L628Y456-F624 HydrophobicContact CD1-CB 4.39Å; Y456-F624 HydrophobicContact CD1-CD2 4.12Å; Y456-F624 HydrophobicContact CD2-CB 3.94Å; Y456-F624 HydrophobicContact CE1-CD2 4.29Å; Y456-F624 HydrophobicContact CE2-CB 4.32Å; Y456-F624 HydrophobicContact CG-CB 4Å; E514-F624 HydrophobicContact CB-CE2 4.17Å; E514-F624 HydrophobicContact CB-CZ 4.21Å; E514-F624 HydrophobicContact CG-CE2 4.01Å; E514-F624 HydrophobicContact CG-CZ 4.41Å; E514-F624 WeakPolarHBondContact OE1-CD2 3.34Å; E514-F624 VanDerWaalsContact OE1-CE2 3.24Å; E514-F624 WeakPolarHBondContact OE1-CE2 3.34Å; E514-F624 VanDerWaalsContact OE2-CE2 3.31Å; E514-F624 WeakPolarHBondContact OE2-CE2 3.37Å; C620-F624 WeakPolarHBondContact O-CB 3.26Å; C620-F624 PolarHBondContact O-N 3.01Å; A621-F624 PolarHBondContact O-N 3.03Å; F622-F624 VanDerWaalsContact C-N 3.33Å; F622-F624 PolarHBondContact O-N 3.16Å; F624-E627 PolarHBondContact O-N 3.04Å; F624-L628 HydrophobicContact CE1-CD2 4.32Å; F624-L628 HydrophobicContact CZ-CD2 4.18Å; F624-L628 WeakPolarHBondContact O-CB 3.09Å; F624-L628 PolarHBondContact O-N 3.07Å
625F89Confident87.9Confident5 Ų527.5 Ų27.52%0.02214%0.14CC..Hα-helixtrans-69.3-34178.6-76.1-69.9000112.6A621 F622 E627 L628 F629 I653 L656 I712 F715A621-F625 WeakPolarHBondContact O-CD2 3.5Å; A621-F625 PolarHBondContact O-N 3.13Å; F622-F625 PolarHBondContact O-N 3.19Å; F625-E627 VanDerWaalsContact C-N 3.32Å; F625-E627 PolarHBondContact O-N 3.02Å; F625-L628 HydrophobicContact CD1-CD2 4.14Å; F625-L628 HydrophobicContact CE1-CD2 4.39Å; F625-L628 PolarHBondContact O-N 3.27Å; F625-F629 HydrophobicContact CD1-CE1 4.47Å; F625-F629 HydrophobicContact CD1-CZ 4.44Å; F625-F629 VanDerWaalsContact O-CB 3.28Å; F625-F629 WeakPolarHBondContact O-CB 3.35Å; F625-F629 WeakPolarHBondContact O-CD2 3.27Å; F625-F629 WeakPolarHBondContact O-CG 2.94Å; F625-F629 PolarHBondContact O-N 2.83Å; F625-I653 HydrophobicContact CD1-CB 4.26Å; F625-I653 HydrophobicContact CD1-CG2 3.75Å; F625-I653 HydrophobicContact CD2-CB 4.17Å; F625-I653 HydrophobicContact CD2-CG2 4.41Å; F625-I653 HydrophobicContact CE1-CB 4.15Å; F625-I653 HydrophobicContact CE1-CG2 3.95Å; F625-I653 HydrophobicContact CE2-CB 4.07Å; F625-I653 HydrophobicContact CG-CB 4.28Å; F625-I653 HydrophobicContact CG-CG2 4.01Å; F625-I653 HydrophobicContact CZ-CB 4.05Å; F625-I653 HydrophobicContact CZ-CG2 4.37Å; F625-L656 HydrophobicContact CE1-CD1 4.13Å; F625-L656 HydrophobicContact CZ-CB 4.13Å; F625-I712 HydrophobicContact CB-CG2 3.72Å; F625-F715 AromaticContact CD2-CE2 3.6Å; F625-F715 HydrophobicContact CD2-CE2 3.6Å; F625-F715 HydrophobicContact CD2-CZ 4.11Å; F625-F715 HydrophobicContact CE2-CE2 4.04Å; F625-F715 HydrophobicContact CE2-CZ 4.07Å
626E90Very high87.6Confident66 Ų6628.9 Ų28.931%0.30814%0.143SC..Hα-helixtrans-57.3-47.5172.8179.2172.8-138.500111.3P455 F622 H623 A630 I712P455-E626 HydrophobicContact CB-CG 4.39Å; P455-E626 HydrophobicContact CG-CG 4.29Å; F622-E626 WeakPolarHBondContact CE1-OE2 3.3Å; F622-E626 VanDerWaalsContact O-CB 3.27Å; F622-E626 WeakPolarHBondContact O-CB 3.27Å; F622-E626 PolarHBondContact O-N 3.02Å; H623-E626 IonicContact ND1-OE2 3.93Å; H623-E626 PolarHBondContact ND1-OE2 2.71Å; H623-E626 PolarHBondContact O-N 3.09Å; E626-A630 PolarHBondContact O-N 3.47Å; E626-I712 HydrophobicContact CB-CD1 3.98Å; E626-I712 HydrophobicContact CG-CD1 4.39Å
627E87.7Confident87.5Confident3 Ų333.7 Ų33.71%0.01417%0.173CC..Hα-helixtrans-66.1-48177.2-170-179.7128.600111.8L454 P455 Y456 H457 Y502 H623 F624 F625 F629 A630 F631L454-E627 WeakPolarHBondContact CB-OE2 3.26Å; P455-E627 HydrophobicContact CB-CB 4.16Å; P455-E627 HydrophobicContact CG-CB 4.1Å; P455-E627 HydrophobicContact CG-CG 4.5Å; Y456-E627 WeakPolarHBondContact CA-OE2 3.37Å; Y456-E627 WeakPolarHBondContact CB-OE2 3.44Å; Y456-E627 PolarHBondContact N-OE2 3.15Å; H457-E627 IonicContact CE1-OE1 3.8Å; H457-E627 IonicContact CG-OE1 3.69Å; H457-E627 PolarHBondContact N-OE2 2.78Å; H457-E627 IonicContact ND1-OE1 3.99Å; H457-E627 PolarHBondContact ND1-OE1 2.84Å; H457-E627 IonicContact ND1-OE2 2.63Å; Y502-E627 WeakPolarHBondContact CE1-OE1 3.49Å; H623-E627 VanDerWaalsContact O-CB 3.3Å; H623-E627 WeakPolarHBondContact O-CB 3.05Å; H623-E627 PolarHBondContact O-N 3.15Å; F624-E627 PolarHBondContact O-N 3.04Å; F625-E627 VanDerWaalsContact C-N 3.32Å; F625-E627 PolarHBondContact O-N 3.02Å; E627-F629 VanDerWaalsContact C-N 3.28Å; E627-F629 PolarHBondContact O-N 3.22Å; E627-A630 WeakPolarHBondContact O-CB 3.45Å; E627-A630 PolarHBondContact O-N 2.96Å; E627-A630 VanDerWaalsContact O-N 3.13Å; E627-F631 HydrophobicContact CG-CD2 4.26Å; E627-F631 HydrophobicContact CG-CE1 4.37Å; E627-F631 HydrophobicContact CG-CE2 3.38Å; E627-F631 HydrophobicContact CG-CZ 3.38Å; E627-F631 VanDerWaalsContact O-CD2 3.31Å; E627-F631 WeakPolarHBondContact O-CD2 3.4Å; E627-F631 WeakPolarHBondContact O-CG 3.25Å; E627-F631 PolarHBondContact O-N 3.39Å; E627-F631 WeakPolarHBondContact OE1-CE2 3.38Å; E627-F631 WeakPolarHBondContact OE1-CZ 3.38Å
628L84.5Confident86.9Confident6 Ų639.7 Ų39.73%0.03120%0.199CC..Hα-helixtrans-57.1-41.9178.4-172.767.4000112.2L509 I515 F624 F625 F631 G632 V645 M646L509-L628 HydrophobicContact CD1-CD1 3.73Å; L509-L628 HydrophobicContact CD2-CD1 3.89Å; L509-L628 HydrophobicContact CG-CD1 4.45Å; I515-L628 HydrophobicContact CD1-CD1 4.3Å; F624-L628 HydrophobicContact CE1-CD2 4.32Å; F624-L628 HydrophobicContact CZ-CD2 4.18Å; F624-L628 WeakPolarHBondContact O-CB 3.09Å; F624-L628 PolarHBondContact O-N 3.07Å; F625-L628 HydrophobicContact CD1-CD2 4.14Å; F625-L628 HydrophobicContact CE1-CD2 4.39Å; F625-L628 PolarHBondContact O-N 3.27Å; L628-F631 PolarHBondContact O-N 2.69Å; L628-G632 PolarHBondContact O-N 3.16Å; L628-V645 WeakPolarHBondContact CD2-O 3.5Å; L628-M646 HydrophobicContact CD1-CE 4.49Å; L628-M646 HydrophobicContact CD1-CG 3.68Å; L628-M646 HydrophobicContact CG-CB 4.38Å; L628-M646 HydrophobicContact CG-CG 3.87Å
629F86.7Confident86.4Confident4 Ų446.9 Ų46.92%0.01824%0.238CC..Hα-helixtrans-71-37.5177.7-68-16.5000112.6F625 E627 F631 G632 D633 V645 M646 R648 A651 I653 I712F625-F629 HydrophobicContact CD1-CE1 4.47Å; F625-F629 HydrophobicContact CD1-CZ 4.44Å; F625-F629 VanDerWaalsContact O-CB 3.28Å; F625-F629 WeakPolarHBondContact O-CB 3.35Å; F625-F629 WeakPolarHBondContact O-CD2 3.27Å; F625-F629 WeakPolarHBondContact O-CG 2.94Å; F625-F629 PolarHBondContact O-N 2.83Å; E627-F629 VanDerWaalsContact C-N 3.28Å; E627-F629 PolarHBondContact O-N 3.22Å; F629-F631 VanDerWaalsContact C-N 3.26Å; F629-F631 PolarHBondContact O-N 3.43Å; F629-G632 PolarHBondContact O-N 3.48Å; F629-G632 VanDerWaalsContact O-N 3.12Å; F629-D633 PolarHBondContact O-N 2.94Å; F629-V645 WeakPolarHBondContact CE1-O 3.41Å; F629-M646 WeakPolarHBondContact CD1-O 3.48Å; F629-R648 HydrophobicContact CB-CG 3.74Å; F629-R648 HydrophobicContact CD1-CG 4.46Å; F629-R648 HydrophobicContact CD2-CG 3.76Å; F629-R648 HydrophobicContact CE2-CG 4.4Å; F629-R648 HydrophobicContact CG-CG 3.76Å; F629-A651 HydrophobicContact CE1-CB 3.92Å; F629-A651 HydrophobicContact CZ-CB 3.99Å; F629-I653 HydrophobicContact CE2-CG2 4.24Å; F629-I653 HydrophobicContact CZ-CG2 3.61Å; F629-I712 HydrophobicContact CD2-CG2 3.87Å; F629-I712 HydrophobicContact CE2-CG2 3.45Å; F629-I712 VanDerWaalsContact CE2-CG2 3.45Å; F629-I712 HydrophobicContact CZ-CG2 4.42Å
630A84.7Confident85.8Confident39 Ų3950.4 Ų50.432%0.32225%0.25SC..Hα-helixtrans-59.3-39.5173.300000111.4E626 E627 D633 L634E626-A630 PolarHBondContact O-N 3.47Å; E627-A630 WeakPolarHBondContact O-CB 3.45Å; E627-A630 PolarHBondContact O-N 2.96Å; E627-A630 VanDerWaalsContact O-N 3.13Å; A630-D633 PolarHBondContact O-N 3.43Å; A630-L634 WeakPolarHBondContact O-CG 3.48Å; A630-L634 PolarHBondContact O-N 3.25Å
631F79.5Confident85.3Confident12 Ų1259 Ų595%0.05329%0.286CS..Hα-helixtrans-67.2-39.8173.1-58.3-37.1000112.8Y502 G504 L509 E627 L628 F629 D633 L634 E635 M646Y502-F631 HydrophobicContact CE1-CE2 4.18Å; Y502-F631 HydrophobicContact CE1-CZ 4.2Å; G504-F631 VanDerWaalsContact O-CD1 3.26Å; G504-F631 WeakPolarHBondContact O-CD1 3.4Å; G504-F631 WeakPolarHBondContact O-CE1 3.25Å; L509-F631 HydrophobicContact CD1-CD2 3.97Å; L509-F631 HydrophobicContact CD2-CD2 4.25Å; L509-F631 HydrophobicContact CD2-CE2 4.4Å; L509-F631 HydrophobicContact CG-CD2 4.35Å; E627-F631 HydrophobicContact CG-CD2 4.26Å; E627-F631 HydrophobicContact CG-CE1 4.37Å; E627-F631 HydrophobicContact CG-CE2 3.38Å; E627-F631 HydrophobicContact CG-CZ 3.38Å; E627-F631 VanDerWaalsContact O-CD2 3.31Å; E627-F631 WeakPolarHBondContact O-CD2 3.4Å; E627-F631 WeakPolarHBondContact O-CG 3.25Å; E627-F631 PolarHBondContact O-N 3.39Å; E627-F631 WeakPolarHBondContact OE1-CE2 3.38Å; E627-F631 WeakPolarHBondContact OE1-CZ 3.38Å; L628-F631 PolarHBondContact O-N 2.69Å; F629-F631 VanDerWaalsContact C-N 3.26Å; F629-F631 PolarHBondContact O-N 3.43Å; F631-D633 PolarHBondContact O-N 2.89Å; F631-L634 HydrophobicContact CD1-CD1 4.21Å; F631-L634 PolarHBondContact O-N 2.9Å; F631-E635 PolarHBondContact O-N 3.33Å; F631-M646 HydrophobicContact CB-CE 3.53Å
632G82.4Confident84.7Confident0 Ų059.4 Ų59.40%029%0.289CS..Hα-helixtrans-59.5-39174.900000112.2L628 F629 E635 K636L628-G632 PolarHBondContact O-N 3.16Å; F629-G632 PolarHBondContact O-N 3.48Å; F629-G632 VanDerWaalsContact O-N 3.12Å; G632-E635 PolarHBondContact O-N 3.22Å; G632-K636 WeakPolarHBondContact O-CG 3.31Å; G632-K636 PolarHBondContact O-N 3.1Å
633D85.1Confident83.9Confident52 Ų5262.6 Ų62.628%0.27830%0.3SS..Hα-helixtrans-69-39.6176.1-63.5-30.7000111.7F629 A630 F631 E635 K636 V637 R648F629-D633 PolarHBondContact O-N 2.94Å; A630-D633 PolarHBondContact O-N 3.43Å; F631-D633 PolarHBondContact O-N 2.89Å; D633-E635 PolarHBondContact O-N 3.01Å; D633-K636 WeakPolarHBondContact O-CB 3.27Å; D633-K636 PolarHBondContact O-N 2.8Å; D633-K636 IonicContact OD1-NZ 2.85Å; D633-V637 WeakPolarHBondContact O-CG2 3.33Å; D633-V637 PolarHBondContact O-N 3.41Å; D633-V637 VanDerWaalsContact O-N 3.1Å; D633-R648 IonicContact OD2-CZ 2.88Å; D633-R648 IonicContact OD2-NE 2.81Å; D633-R648 PolarHBondContact OD2-NE 2.82Å; D633-R648 IonicContact OD2-NH2 2.71Å; D633-R648 PolarHBondContact OD2-NH2 3.05Å
634L81.5Confident83.4Confident91 Ų9162.6 Ų62.648%0.47631%0.311SS..Hα-helixtrans-63.8-38.3174.4-74.4169.7000113A630 F631 K636 V637 K638A630-L634 WeakPolarHBondContact O-CG 3.48Å; A630-L634 PolarHBondContact O-N 3.25Å; F631-L634 HydrophobicContact CD1-CD1 4.21Å; F631-L634 PolarHBondContact O-N 2.9Å; L634-K636 VanDerWaalsContact C-N 3.32Å; L634-V637 PolarHBondContact O-N 3.46Å; L634-K638 WeakPolarHBondContact O-CG 3.31Å; L634-K638 PolarHBondContact O-N 2.87Å
635E80.1Confident82.9Confident18 Ų1863.2 Ų63.28%0.08432%0.318CS..Hα-helixtrans-63.3-40175-72.6-67.4119.900111.1F631 G632 D633 V637 K638 D639 R640 P642F631-E635 PolarHBondContact O-N 3.33Å; G632-E635 PolarHBondContact O-N 3.22Å; D633-E635 PolarHBondContact O-N 3.01Å; E635-V637 VanDerWaalsContact C-N 3.35Å; E635-V637 PolarHBondContact O-N 2.93Å; E635-K638 CarbonylContact O-C 3.47Å; E635-K638 PolarHBondContact O-N 2.81Å; E635-K638 VanDerWaalsContact O-N 3.12Å; E635-D639 PolarHBondContact O-N 3.37Å; E635-R640 CarbonylContact C-O 3.57Å; E635-R640 HydrophobicContact CB-CB 4.24Å; E635-R640 WeakPolarHBondContact O-CA 3.48Å; E635-R640 WeakPolarHBondContact O-CB 3.45Å; E635-R640 PolarHBondContact O-N 3.2Å; E635-R640 VanDerWaalsContact O-O 3.12Å; E635-R640 IonicContact OE1-NH1 2.75Å; E635-R640 WeakPolarHBondContact OE2-CB 3.26Å; E635-R640 WeakPolarHBondContact OE2-CD 3.1Å; E635-R640 IonicContact OE2-NH1 2.86Å; E635-P642 HydrophobicContact CB-CB 4.31Å
636K85Confident82.5Confident84 Ų8463 Ų6337%0.36532%0.317SS..Hα-helixtrans-61.3-41.9174.4-66.7171.6-172.7166.80112.1G632 D633 L634 K638 D639 P642G632-K636 WeakPolarHBondContact O-CG 3.31Å; G632-K636 PolarHBondContact O-N 3.1Å; D633-K636 WeakPolarHBondContact O-CB 3.27Å; D633-K636 PolarHBondContact O-N 2.8Å; D633-K636 IonicContact OD1-NZ 2.85Å; L634-K636 VanDerWaalsContact C-N 3.32Å; K636-K638 PolarHBondContact O-N 3.2Å; K636-D639 PolarHBondContact O-N 2.92Å; K636-D639 VanDerWaalsContact O-N 3.1Å; K636-P642 HydrophobicContact CD-CG 4.38Å; K636-P642 HydrophobicContact CG-CG 3.8Å
637V86.5Confident82.1Confident117 Ų11761 Ų6171%0.70931%0.307SS*.Hα-helixtrans-63.4-27177.1173.30000111.9D633 L634 E635 D639D633-V637 WeakPolarHBondContact O-CG2 3.33Å; D633-V637 PolarHBondContact O-N 3.41Å; D633-V637 VanDerWaalsContact O-N 3.1Å; L634-V637 PolarHBondContact O-N 3.46Å; E635-V637 VanDerWaalsContact C-N 3.35Å; E635-V637 PolarHBondContact O-N 2.93Å; V637-D639 VanDerWaalsContact C-N 3.29Å
638K79.2Confident81.9Confident125 Ų12566 Ų6654%0.54333%0.326SS..THydrogen-bonded Turntrans-89.616176-65.8175.9-177.4173.50113.5L634 E635 K636 R640L634-K638 WeakPolarHBondContact O-CG 3.31Å; L634-K638 PolarHBondContact O-N 2.87Å; E635-K638 CarbonylContact O-C 3.47Å; E635-K638 PolarHBondContact O-N 2.81Å; E635-K638 VanDerWaalsContact O-N 3.12Å; K636-K638 PolarHBondContact O-N 3.2Å; K638-R640 HydrophobicContact CB-CG 4.47Å; K638-R640 PolarHBondContact O-N 3.09Å
639D83Confident81.6Confident160 Ų16068.8 Ų68.886%0.85636%0.357SS*.THydrogen-bonded Turntrans56.727.7-175.3-60.6-48.1000114.1E635 K636 V637E635-D639 PolarHBondContact O-N 3.37Å; K636-D639 PolarHBondContact O-N 2.92Å; K636-D639 VanDerWaalsContact O-N 3.1Å; V637-D639 VanDerWaalsContact C-N 3.29Å
640R79.1Confident81.3Confident148 Ų14875 Ų7556%0.55838%0.384SS*.  trans-104.2147.1174.7-64.5175.8179.7-176.6-4.5110.3E635 K638 P642E635-R640 CarbonylContact C-O 3.57Å; E635-R640 HydrophobicContact CB-CB 4.24Å; E635-R640 WeakPolarHBondContact O-CA 3.48Å; E635-R640 WeakPolarHBondContact O-CB 3.45Å; E635-R640 PolarHBondContact O-N 3.2Å; E635-R640 VanDerWaalsContact O-O 3.12Å; E635-R640 IonicContact OE1-NH1 2.75Å; E635-R640 WeakPolarHBondContact OE2-CB 3.26Å; E635-R640 WeakPolarHBondContact OE2-CD 3.1Å; E635-R640 IonicContact OE2-NH1 2.86Å; K638-R640 HydrophobicContact CB-CG 4.47Å; K638-R640 PolarHBondContact O-N 3.09Å; R640-P642 WeakPolarHBondContact O-CD 3.35Å
641K82.6Confident81Confident186 Ų18673.5 Ų73.581%0.80937%0.371SS*.  trans-84.2111.3176.4-172.3177.2179.5-179.30109.6
642P78.3Confident81.3Confident11 Ų1174.9 Ų74.97%0.07138%0.379CS..  trans-64.5156.8175.228.5-37.2000111.4E635 K636 R640 M646 E647E635-P642 HydrophobicContact CB-CB 4.31Å; K636-P642 HydrophobicContact CD-CG 4.38Å; K636-P642 HydrophobicContact CG-CG 3.8Å; R640-P642 WeakPolarHBondContact O-CD 3.35Å; P642-M646 HydrophobicContact CB-CB 4.28Å; P642-E647 HydrophobicContact CB-CG 4.16Å; P642-E647 HydrophobicContact CG-CG 3.53Å
643R76.9Confident81.6Confident90 Ų9074.9 Ų74.934%0.3438%0.379SS..  trans-66148.8171.8-63.9-179.8179.7-171.5-2109.2P516 V645 M646 E647P516-R643 PolarHBondContact O-NH1 3.14Å; R643-V645 HydrophobicContact CB-CG2 4.15Å; R643-V645 PolarHBondContact O-N 2.89Å; R643-V645 VanDerWaalsContact O-N 3.08Å; R643-M646 HydrophobicContact CB-CG 4.33Å; R643-M646 HydrophobicContact CB-SD 4.14Å; R643-M646 HydrophobicContact CG-SD 4.47Å; R643-M646 WeakPolarHBondContact O-CA 3.39Å; R643-M646 WeakPolarHBondContact O-CB 3.42Å; R643-M646 PolarHBondContact O-N 3.05Å; R643-E647 PolarHBondContact O-N 3.33Å
644A80.2Confident81.9Confident65 Ų6572.6 Ų72.654%0.53737%0.367SS..G310 helixtrans-56.1-32-176.700000113.6M646 E647A644-M646 PolarHBondContact O-N 3.15Å; A644-E647 PolarHBondContact O-N 3.3Å
645V79.2Confident82.3Confident46 Ų4672.5 Ų72.528%0.27936%0.362SS..G310 helixtrans-69-19.5176.4-61.20000113.8I515 L628 F629 R643 L656I515-V645 HydrophobicContact CD1-CG2 4.44Å; L628-V645 WeakPolarHBondContact CD2-O 3.5Å; F629-V645 WeakPolarHBondContact CE1-O 3.41Å; R643-V645 HydrophobicContact CB-CG2 4.15Å; R643-V645 PolarHBondContact O-N 2.89Å; R643-V645 VanDerWaalsContact O-N 3.08Å; V645-L656 HydrophobicContact CB-CD1 4.34Å; V645-L656 HydrophobicContact CG1-CD1 4.1Å; V645-L656 HydrophobicContact CG1-CD2 4.2Å
646M79.8Confident82.7Confident0 Ų074 Ų740%037%0.371CS..G310 helixtrans-96.6-5.4178.6-56.3171.174.300112.3L509 I515 L628 F629 F631 P642 R643 A644L509-M646 HydrophobicContact CD1-CE 3.69Å; L509-M646 HydrophobicContact CD1-SD 4.3Å; I515-M646 HydrophobicContact CD1-CG 4.5Å; I515-M646 HydrophobicContact CD1-SD 4.29Å; L628-M646 HydrophobicContact CD1-CE 4.49Å; L628-M646 HydrophobicContact CD1-CG 3.68Å; L628-M646 HydrophobicContact CG-CB 4.38Å; L628-M646 HydrophobicContact CG-CG 3.87Å; F629-M646 WeakPolarHBondContact CD1-O 3.48Å; F631-M646 HydrophobicContact CB-CE 3.53Å; P642-M646 HydrophobicContact CB-CB 4.28Å; R643-M646 HydrophobicContact CB-CG 4.33Å; R643-M646 HydrophobicContact CB-SD 4.14Å; R643-M646 HydrophobicContact CG-SD 4.47Å; R643-M646 WeakPolarHBondContact O-CA 3.39Å; R643-M646 WeakPolarHBondContact O-CB 3.42Å; R643-M646 PolarHBondContact O-N 3.05Å; A644-M646 PolarHBondContact O-N 3.15Å
647E82.8Confident83Confident23 Ų2370.2 Ų70.211%0.10735%0.354CS..SBendtrans-90.1116.5-177.9-71.7-166-104.500111.5P642 R643 A644 G649 K650 A651P642-E647 HydrophobicContact CB-CG 4.16Å; P642-E647 HydrophobicContact CG-CG 3.53Å; R643-E647 PolarHBondContact O-N 3.33Å; A644-E647 PolarHBondContact O-N 3.3Å; E647-G649 PolarHBondContact O-N 3.43Å; E647-K650 HydrophobicContact CB-CB 4.06Å; E647-K650 HydrophobicContact CB-CD 4.06Å; E647-K650 HydrophobicContact CB-CG 4.35Å; E647-K650 HydrophobicContact CG-CD 4.49Å; E647-K650 PolarHBondContact O-N 2.87Å; E647-K650 VanDerWaalsContact O-N 3.15Å; E647-K650 IonicContact OE1-NZ 2.73Å; E647-K650 PolarHBondContact OE1-NZ 2.93Å; E647-K650 WeakPolarHBondContact OE2-CE 3.35Å; E647-K650 IonicContact OE2-NZ 3.99Å; E647-K650 PolarHBondContact OE2-NZ 3.38Å; E647-A651 PolarHBondContact O-N 2.97Å
648R83Confident83.3Confident109 Ų10965.5 Ų65.541%0.41133%0.325SS..THydrogen-bonded Turntrans-51.8133.7169.5-61.3-172.5-168-86-6.5110.6F629 D633 K650F629-R648 HydrophobicContact CB-CG 3.74Å; F629-R648 HydrophobicContact CD1-CG 4.46Å; F629-R648 HydrophobicContact CD2-CG 3.76Å; F629-R648 HydrophobicContact CE2-CG 4.4Å; F629-R648 HydrophobicContact CG-CG 3.76Å; D633-R648 IonicContact OD2-CZ 2.88Å; D633-R648 IonicContact OD2-NE 2.81Å; D633-R648 PolarHBondContact OD2-NE 2.82Å; D633-R648 IonicContact OD2-NH2 2.71Å; D633-R648 PolarHBondContact OD2-NH2 3.05Å; R648-K650 VanDerWaalsContact C-N 3.25Å; R648-K650 PolarHBondContact O-N 2.87Å
649G78.5Confident83.9Confident65 Ų6564 Ų6467%0.6732%0.32SS*.THydrogen-bonded Turntrans79.5-14.2179.300000116.1E647E647-G649 PolarHBondContact O-N 3.43Å
650K80.1Confident84.2Confident135 Ų13558.7 Ų58.759%0.58729%0.288SS*.THydrogen-bonded Turntrans-98.9-31.7173.4-70.9-176-176.41610113.2E647 R648E647-K650 HydrophobicContact CB-CB 4.06Å; E647-K650 HydrophobicContact CB-CD 4.06Å; E647-K650 HydrophobicContact CB-CG 4.35Å; E647-K650 HydrophobicContact CG-CD 4.49Å; E647-K650 PolarHBondContact O-N 2.87Å; E647-K650 VanDerWaalsContact O-N 3.15Å; E647-K650 IonicContact OE1-NZ 2.73Å; E647-K650 PolarHBondContact OE1-NZ 2.93Å; E647-K650 WeakPolarHBondContact OE2-CE 3.35Å; E647-K650 IonicContact OE2-NZ 3.99Å; E647-K650 PolarHBondContact OE2-NZ 3.38Å; R648-K650 VanDerWaalsContact C-N 3.25Å; R648-K650 PolarHBondContact O-N 2.87Å
651A79.2Confident84.8Confident6 Ų651.7 Ų51.75%0.0526%0.262CS..  trans-76124.8-178.600000111.7F629 E647 I653 L656F629-A651 HydrophobicContact CE1-CB 3.92Å; F629-A651 HydrophobicContact CZ-CB 3.99Å; E647-A651 PolarHBondContact O-N 2.97Å; A651-I653 VanDerWaalsContact C-N 3.3Å; A651-I653 HydrophobicContact CB-CG2 4.21Å; A651-I653 PolarHBondContact O-N 3.32Å; A651-I653 VanDerWaalsContact O-N 3.11Å; A651-L656 HydrophobicContact CB-CD1 4.14Å
652D85.8Confident85.4Confident41 Ų4147.1 Ų47.122%0.21925%0.246CC..  trans-83.477.9168.3-176.34000109.2V654 K655 L656 Y701D652-V654 VanDerWaalsContact C-N 3.27Å; D652-V654 PolarHBondContact O-N 3.31Å; D652-K655 HydrophobicContact CB-CB 4.03Å; D652-K655 PolarHBondContact O-N 3.36Å; D652-K655 VanDerWaalsContact O-N 3.09Å; D652-K655 PolarHBondContact OD1-N 2.92Å; D652-K655 WeakPolarHBondContact OD2-CB 3.28Å; D652-K655 VanDerWaalsContact OD2-CD 3.3Å; D652-K655 WeakPolarHBondContact OD2-CD 3.44Å; D652-L656 WeakPolarHBondContact O-CG 3.48Å; D652-L656 PolarHBondContact O-N 2.91Å; D652-Y701 PolarHBondContact OD1-OH 3.42Å; D652-Y701 VanDerWaalsContact OD1-OH 3.13Å; D652-Y701 PolarHBondContact OD2-OH 2.97Å
653I88.4Confident85.9Confident1 Ų150.2 Ų50.21%0.00527%0.265CS..Hα-helixtrans-55.4-37.8-170.163-176.2000113.4F625 F629 A651 L656 Q657 E711 I712 F715F625-I653 HydrophobicContact CD1-CB 4.26Å; F625-I653 HydrophobicContact CD1-CG2 3.75Å; F625-I653 HydrophobicContact CD2-CB 4.17Å; F625-I653 HydrophobicContact CD2-CG2 4.41Å; F625-I653 HydrophobicContact CE1-CB 4.15Å; F625-I653 HydrophobicContact CE1-CG2 3.95Å; F625-I653 HydrophobicContact CE2-CB 4.07Å; F625-I653 HydrophobicContact CG-CB 4.28Å; F625-I653 HydrophobicContact CG-CG2 4.01Å; F625-I653 HydrophobicContact CZ-CB 4.05Å; F625-I653 HydrophobicContact CZ-CG2 4.37Å; F629-I653 HydrophobicContact CE2-CG2 4.24Å; F629-I653 HydrophobicContact CZ-CG2 3.61Å; A651-I653 VanDerWaalsContact C-N 3.3Å; A651-I653 HydrophobicContact CB-CG2 4.21Å; A651-I653 PolarHBondContact O-N 3.32Å; A651-I653 VanDerWaalsContact O-N 3.11Å; I653-L656 PolarHBondContact O-N 3.08Å; I653-Q657 WeakPolarHBondContact O-CB 3.14Å; I653-Q657 PolarHBondContact O-N 3.36Å; I653-E711 WeakPolarHBondContact CD1-O 3.41Å; I653-I712 HydrophobicContact CD1-CB 4.39Å; I653-I712 HydrophobicContact CD1-CG2 3.99Å; I653-F715 HydrophobicContact CB-CE2 4.21Å; I653-F715 HydrophobicContact CB-CZ 4.16Å; I653-F715 HydrophobicContact CD1-CD2 4.32Å; I653-F715 HydrophobicContact CD1-CE2 3.61Å; I653-F715 HydrophobicContact CD1-CZ 4.01Å; I653-F715 HydrophobicContact CG1-CE2 3.98Å; I653-F715 HydrophobicContact CG1-CZ 3.9Å
654V90.3Very high86.6Confident4 Ų446.2 Ų46.22%0.02425%0.25CS..Hα-helixtrans-70.9-41.3-179.8-175.50000110.1D652 Q657 I658 M696 K697 I700 F715D652-V654 VanDerWaalsContact C-N 3.27Å; D652-V654 PolarHBondContact O-N 3.31Å; V654-Q657 PolarHBondContact O-N 3.43Å; V654-I658 HydrophobicContact CG1-CD1 4.18Å; V654-I658 VanDerWaalsContact O-CG1 3.28Å; V654-I658 WeakPolarHBondContact O-CG1 3.27Å; V654-I658 PolarHBondContact O-N 3.02Å; V654-M696 HydrophobicContact CG1-CG 4.43Å; V654-M696 HydrophobicContact CG1-SD 4.48Å; V654-M696 HydrophobicContact CG2-SD 4.34Å; V654-K697 HydrophobicContact CG1-CB 3.82Å; V654-I700 HydrophobicContact CG2-CD1 4Å; V654-F715 HydrophobicContact CG2-CE1 4.3Å
655K90.1Very high87.2Confident88 Ų8843.1 Ų43.138%0.38323%0.225SC..Hα-helixtrans-65.3-41.4174.7-179.1-176.9175.9-175.40111.9D652 Q657 I658 Q659D652-K655 HydrophobicContact CB-CB 4.03Å; D652-K655 PolarHBondContact O-N 3.36Å; D652-K655 VanDerWaalsContact O-N 3.09Å; D652-K655 PolarHBondContact OD1-N 2.92Å; D652-K655 WeakPolarHBondContact OD2-CB 3.28Å; D652-K655 VanDerWaalsContact OD2-CD 3.3Å; D652-K655 WeakPolarHBondContact OD2-CD 3.44Å; K655-Q657 VanDerWaalsContact C-N 3.3Å; K655-Q657 PolarHBondContact O-N 3.48Å; K655-I658 PolarHBondContact O-N 3.44Å; K655-Q659 HydrophobicContact CG-CG 4.44Å; K655-Q659 WeakPolarHBondContact O-CB 3.44Å; K655-Q659 VanDerWaalsContact O-CG 3.28Å; K655-Q659 WeakPolarHBondContact O-CG 3.47Å; K655-Q659 PolarHBondContact O-N 3.08Å
656L88.7Confident87.9Confident49 Ų4941.7 Ų41.726%0.25722%0.215SC..Hα-helixtrans-59.8-43.8176-71172.3000110.9F625 V645 A651 D652 I653 Q659 Y660F625-L656 HydrophobicContact CE1-CD1 4.13Å; F625-L656 HydrophobicContact CZ-CB 4.13Å; V645-L656 HydrophobicContact CB-CD1 4.34Å; V645-L656 HydrophobicContact CG1-CD1 4.1Å; V645-L656 HydrophobicContact CG1-CD2 4.2Å; A651-L656 HydrophobicContact CB-CD1 4.14Å; D652-L656 WeakPolarHBondContact O-CG 3.48Å; D652-L656 PolarHBondContact O-N 2.91Å; I653-L656 PolarHBondContact O-N 3.08Å; L656-Q659 PolarHBondContact O-N 3.31Å; L656-Y660 WeakPolarHBondContact O-CB 3.41Å; L656-Y660 PolarHBondContact O-N 3.45Å
657Q90.6Very high88.7Confident6 Ų642.8 Ų42.83%0.02822%0.223CC..Hα-helixtrans-64.2-42177.9-169.56512.300112.9H610 I653 V654 K655 Y660 L661 Y693H610-Q657 PolarHBondContact CE1-NE2 3.09Å; H610-Q657 PolarHBondContact ND1-NE2 3.43Å; I653-Q657 WeakPolarHBondContact O-CB 3.14Å; I653-Q657 PolarHBondContact O-N 3.36Å; V654-Q657 PolarHBondContact O-N 3.43Å; K655-Q657 VanDerWaalsContact C-N 3.3Å; K655-Q657 PolarHBondContact O-N 3.48Å; Q657-Y660 PolarHBondContact O-N 3.14Å; Q657-L661 HydrophobicContact CG-CD1 4.44Å; Q657-L661 WeakPolarHBondContact O-CB 3.39Å; Q657-L661 WeakPolarHBondContact O-CG 3.42Å; Q657-L661 PolarHBondContact O-N 3.1Å; Q657-Y693 HydrophobicContact CB-CD1 4.38Å; Q657-Y693 HydrophobicContact CB-CE1 4.24Å; Q657-Y693 HydrophobicContact CG-CD1 3.85Å; Q657-Y693 HydrophobicContact CG-CD2 4.12Å; Q657-Y693 HydrophobicContact CG-CE1 3.39Å; Q657-Y693 HydrophobicContact CG-CE2 3.73Å; Q657-Y693 HydrophobicContact CG-CG 4.15Å; Q657-Y693 PolarHBondContact NE2-OH 2.87Å
658I93.2Very high89.2Confident18 Ų1841.7 Ų41.79%0.09222%0.218CC..Hα-helixtrans-60.6-49.2173.5-70.2165.6000110.4V654 K655 Y660 L661 D662 L690 E694 K697V654-I658 HydrophobicContact CG1-CD1 4.18Å; V654-I658 VanDerWaalsContact O-CG1 3.28Å; V654-I658 WeakPolarHBondContact O-CG1 3.27Å; V654-I658 PolarHBondContact O-N 3.02Å; K655-I658 PolarHBondContact O-N 3.44Å; I658-Y660 VanDerWaalsContact C-N 3.3Å; I658-Y660 PolarHBondContact O-N 3.5Å; I658-L661 PolarHBondContact O-N 3.26Å; I658-D662 WeakPolarHBondContact O-CB 3.43Å; I658-D662 PolarHBondContact O-N 2.99Å; I658-L690 HydrophobicContact CB-CD1 4.29Å; I658-L690 HydrophobicContact CG1-CD1 4.47Å; I658-L690 HydrophobicContact CG2-CD1 3.8Å; I658-E694 HydrophobicContact CD1-CG 4.19Å; I658-E694 HydrophobicContact CG1-CG 4.37Å; I658-E694 HydrophobicContact CG2-CG 4.28Å; I658-K697 HydrophobicContact CD1-CB 3.9Å; I658-K697 HydrophobicContact CD1-CD 3.67Å; I658-K697 HydrophobicContact CD1-CG 4.42Å
659Q91.3Very high89.8Confident93 Ų9336.6 Ų36.644%0.43520%0.198SC..Hα-helixtrans-60.7-40.9-179.9-75177.6-28.600111.7K655 L656 V663K655-Q659 HydrophobicContact CG-CG 4.44Å; K655-Q659 WeakPolarHBondContact O-CB 3.44Å; K655-Q659 VanDerWaalsContact O-CG 3.28Å; K655-Q659 WeakPolarHBondContact O-CG 3.47Å; K655-Q659 PolarHBondContact O-N 3.08Å; L656-Q659 PolarHBondContact O-N 3.31Å; Q659-V663 VanDerWaalsContact O-CB 3.26Å; Q659-V663 WeakPolarHBondContact O-CB 3.5Å; Q659-V663 VanDerWaalsContact O-CG2 3.3Å; Q659-V663 WeakPolarHBondContact O-CG2 2.98Å; Q659-V663 PolarHBondContact O-N 3.01Å
660Y90.2Very high90.7Very high49 Ų4938.6 Ų38.619%0.19219%0.189CC..Hα-helixtrans-65.8-45.2178.2-167.6-102.9000111.9L568 M607 H610 L656 Q657 I658 D662 V664 V665L568-Y660 HydrophobicContact CD2-CE2 4.32Å; M607-Y660 WeakPolarHBondContact CE-OH 3.38Å; H610-Y660 AromaticContact CD2-CE1 3.99Å; H610-Y660 AromaticContact CE1-CD1 3.75Å; H610-Y660 AromaticContact CE1-CE1 3.89Å; H610-Y660 AromaticContact NE2-CD1 3.6Å; H610-Y660 AromaticContact NE2-CE1 3.25Å; H610-Y660 VanDerWaalsContact NE2-CE1 3.25Å; H610-Y660 WeakPolarHBondContact NE2-CE1 3.28Å; L656-Y660 WeakPolarHBondContact O-CB 3.41Å; L656-Y660 PolarHBondContact O-N 3.45Å; Q657-Y660 PolarHBondContact O-N 3.14Å; I658-Y660 VanDerWaalsContact C-N 3.3Å; I658-Y660 PolarHBondContact O-N 3.5Å; Y660-D662 PolarHBondContact O-N 2.9Å; Y660-V664 HydrophobicContact CD2-CB 4.36Å; Y660-V664 HydrophobicContact CD2-CG2 4.15Å; Y660-V664 HydrophobicContact CE2-CB 4.26Å; Y660-V664 HydrophobicContact CE2-CG1 4.26Å; Y660-V664 HydrophobicContact CE2-CG2 4.16Å; Y660-V664 VanDerWaalsContact O-CB 3.32Å; Y660-V664 WeakPolarHBondContact O-CB 3.37Å; Y660-V664 PolarHBondContact O-N 2.98Å; Y660-V665 HydrophobicContact CD1-CG2 3.79Å; Y660-V665 HydrophobicContact CE1-CG2 3.78Å; Y660-V665 PolarHBondContact O-N 3.38Å
661L92.8Very high91.5Very high0 Ų032.4 Ų32.40%016%0.162CC..Iπ-helixtrans-59.8-45.9176.1-80166.3000112.3H610 Q657 I658 V665 L666 L690 Y693H610-L661 HydrophobicContact CB-CD2 3.82Å; Q657-L661 HydrophobicContact CG-CD1 4.44Å; Q657-L661 WeakPolarHBondContact O-CB 3.39Å; Q657-L661 WeakPolarHBondContact O-CG 3.42Å; Q657-L661 PolarHBondContact O-N 3.1Å; I658-L661 PolarHBondContact O-N 3.26Å; L661-V665 HydrophobicContact CD2-CB 4.05Å; L661-V665 HydrophobicContact CD2-CG1 4.08Å; L661-V665 HydrophobicContact CD2-CG2 4.13Å; L661-V665 PolarHBondContact O-N 2.85Å; L661-L666 WeakPolarHBondContact O-CB 3.47Å; L661-L666 WeakPolarHBondContact O-CG 3.42Å; L661-L666 PolarHBondContact O-N 3.39Å; L661-L690 HydrophobicContact CB-CD1 4Å; L661-Y693 HydrophobicContact CD1-CD2 3.31Å; L661-Y693 HydrophobicContact CD1-CE2 3.52Å; L661-Y693 HydrophobicContact CD1-CG 4.33Å
662D93.5Very high92.2Very high91 Ų9132.1 Ų32.149%0.48716%0.159SC..Iπ-helixtrans-72.6-45.2-175.7-172.537.3000112.9I658 Y660 P667 L690I658-D662 WeakPolarHBondContact O-CB 3.43Å; I658-D662 PolarHBondContact O-N 2.99Å; Y660-D662 PolarHBondContact O-N 2.9Å; D662-P667 VanDerWaalsContact O-CD 3.24Å; D662-P667 WeakPolarHBondContact O-CD 3.12Å; D662-L690 HydrophobicContact CB-CD1 4.5Å; D662-L690 HydrophobicContact CB-CD2 4.31Å
663V90.3Very high92.7Very high76 Ų7630.3 Ų30.346%0.46115%0.151SC..Iπ-helixtrans-84.4-30-172.9178.40000112.7Q659Q659-V663 VanDerWaalsContact O-CB 3.26Å; Q659-V663 WeakPolarHBondContact O-CB 3.5Å; Q659-V663 VanDerWaalsContact O-CG2 3.3Å; Q659-V663 WeakPolarHBondContact O-CG2 2.98Å; Q659-V663 PolarHBondContact O-N 3.01Å
664V90.3Very high93.1Very high6 Ų634.4 Ų34.44%0.03617%0.172CC..Iπ-helixtrans-115.3-64.2-171179.90000111.2L568 F572 M607 Y660 P667 I668L568-V664 HydrophobicContact CD1-CB 4.37Å; L568-V664 HydrophobicContact CD1-CG1 3.41Å; L568-V664 VanDerWaalsContact CD1-CG1 3.41Å; L568-V664 HydrophobicContact CD1-CG2 4Å; L568-V664 HydrophobicContact CD2-CG2 4.3Å; F572-V664 HydrophobicContact CZ-CG2 4.18Å; M607-V664 HydrophobicContact CE-CG1 3.57Å; M607-V664 HydrophobicContact SD-CG1 3.77Å; Y660-V664 HydrophobicContact CD2-CB 4.36Å; Y660-V664 HydrophobicContact CD2-CG2 4.15Å; Y660-V664 HydrophobicContact CE2-CB 4.26Å; Y660-V664 HydrophobicContact CE2-CG1 4.26Å; Y660-V664 HydrophobicContact CE2-CG2 4.16Å; Y660-V664 VanDerWaalsContact O-CB 3.32Å; Y660-V664 WeakPolarHBondContact O-CB 3.37Å; Y660-V664 PolarHBondContact O-N 2.98Å; V664-P667 WeakPolarHBondContact O-CD 3.21Å; V664-I668 HydrophobicContact CG1-CD1 3.68Å; V664-I668 WeakPolarHBondContact O-CD1 3.43Å; V664-I668 WeakPolarHBondContact O-CG1 3.36Å; V664-I668 PolarHBondContact O-N 3.2Å
665V92.8Very high93.3Very high0 Ų035.3 Ų35.30%018%0.177CC..Iπ-helixtrans-64.8-52.2-168.6-179.70000111.6M607 H610 V611 Y660 L661 I668 F669 A686M607-V665 HydrophobicContact SD-CG2 4.32Å; H610-V665 HydrophobicContact CB-CB 4.47Å; H610-V665 HydrophobicContact CB-CG1 3.7Å; H610-V665 HydrophobicContact CB-CG2 4.04Å; V611-V665 HydrophobicContact CG1-CG1 4.44Å; Y660-V665 HydrophobicContact CD1-CG2 3.79Å; Y660-V665 HydrophobicContact CE1-CG2 3.78Å; Y660-V665 PolarHBondContact O-N 3.38Å; L661-V665 HydrophobicContact CD2-CB 4.05Å; L661-V665 HydrophobicContact CD2-CG1 4.08Å; L661-V665 HydrophobicContact CD2-CG2 4.13Å; L661-V665 PolarHBondContact O-N 2.85Å; V665-I668 PolarHBondContact O-N 2.91Å; V665-F669 HydrophobicContact CG1-CD2 3.62Å; V665-F669 HydrophobicContact CG1-CE2 3.84Å; V665-F669 WeakPolarHBondContact O-CD2 3.1Å; V665-F669 PolarHBondContact O-N 3.31Å; V665-A686 HydrophobicContact CG1-CB 4.17Å
666L95.1Very high93.5Very high15 Ų1531.5 Ų31.58%0.07916%0.16CC..Hα-helixtrans-58.2-48.6-177.7-80.9-179.9000112.5L661 I668 F669 K670 Y683 A686 S687 L690L661-L666 WeakPolarHBondContact O-CB 3.47Å; L661-L666 WeakPolarHBondContact O-CG 3.42Å; L661-L666 PolarHBondContact O-N 3.39Å; L666-I668 VanDerWaalsContact C-N 3.34Å; L666-I668 PolarHBondContact O-N 3.06Å; L666-F669 PolarHBondContact O-N 3.46Å; L666-K670 WeakPolarHBondContact O-CB 3.34Å; L666-K670 PolarHBondContact O-N 3.35Å; L666-Y683 HydrophobicContact CB-CE2 4.27Å; L666-Y683 HydrophobicContact CD2-CD2 3.85Å; L666-Y683 HydrophobicContact CD2-CE2 3.67Å; L666-A686 HydrophobicContact CD2-CB 3.65Å; L666-A686 HydrophobicContact CG-CB 4.46Å; L666-S687 VanDerWaalsContact CD2-OG 3.31Å; L666-S687 WeakPolarHBondContact CD2-OG 3.31Å; L666-L690 HydrophobicContact CD1-CD2 3.48Å; L666-L690 VanDerWaalsContact CD1-CD2 3.48Å
667P95Very high93.8Very high24 Ų2433.3 Ų33.316%0.15617%0.174CC..Hα-helixtrans-55.9-42.4174-31.938.5000114.5Y571 D662 V664 K670 I671Y571-P667 WeakPolarHBondContact OH-CB 3.27Å; D662-P667 VanDerWaalsContact O-CD 3.24Å; D662-P667 WeakPolarHBondContact O-CD 3.12Å; V664-P667 WeakPolarHBondContact O-CD 3.21Å; P667-K670 PolarHBondContact O-N 2.98Å; P667-I671 VanDerWaalsContact O-CG1 3.32Å; P667-I671 WeakPolarHBondContact O-CG1 3.44Å; P667-I671 PolarHBondContact O-N 3.41Å
668I94.6Very high93.9Very high0 Ų037.3 Ų37.30%020%0.196CC..Hα-helixtrans-63.1-50.7179.6-71.2160.7000110.7Y571 L600 I603 A604 M607 V664 V665 L666 K670 I671 L672Y571-I668 HydrophobicContact CD1-CD1 4.18Å; Y571-I668 HydrophobicContact CD1-CG1 4.41Å; Y571-I668 HydrophobicContact CD2-CD1 4.13Å; Y571-I668 HydrophobicContact CD2-CG1 3.77Å; Y571-I668 HydrophobicContact CE1-CD1 4.16Å; Y571-I668 HydrophobicContact CE1-CG1 4.06Å; Y571-I668 HydrophobicContact CE2-CD1 4.14Å; Y571-I668 HydrophobicContact CE2-CG1 3.38Å; Y571-I668 HydrophobicContact CG-CD1 4.15Å; Y571-I668 HydrophobicContact CG-CG1 4.27Å; L600-I668 HydrophobicContact CD1-CG2 4.03Å; I603-I668 HydrophobicContact CG2-CD1 3.63Å; I603-I668 HydrophobicContact CG2-CG1 4.36Å; I603-I668 HydrophobicContact CG2-CG2 4.28Å; A604-I668 HydrophobicContact CB-CG2 4.4Å; M607-I668 HydrophobicContact CE-CD1 3.83Å; M607-I668 HydrophobicContact SD-CD1 3.44Å; M607-I668 WeakPolarHBondContact SD-CD1 3.36Å; V664-I668 HydrophobicContact CG1-CD1 3.68Å; V664-I668 WeakPolarHBondContact O-CD1 3.43Å; V664-I668 WeakPolarHBondContact O-CG1 3.36Å; V664-I668 PolarHBondContact O-N 3.2Å; V665-I668 PolarHBondContact O-N 2.91Å; L666-I668 VanDerWaalsContact C-N 3.34Å; L666-I668 PolarHBondContact O-N 3.06Å; I668-K670 VanDerWaalsContact C-N 3.28Å; I668-K670 PolarHBondContact O-N 3.49Å; I668-I671 PolarHBondContact O-N 3.35Å; I668-L672 PolarHBondContact O-N 3.3Å
669F96Very high93.9Very high2 Ų236.6 Ų36.61%0.00919%0.193CC..Hα-helixtrans-71.7-24.5-179.8-77.2-79.4000112.8F468 A604 M607 V611 V665 L666 L672 G673 F682F468-F669 HydrophobicContact CE1-CE1 4.06Å; F468-F669 HydrophobicContact CE1-CZ 4.35Å; F468-F669 AromaticContact CZ-CE1 3.8Å; F468-F669 HydrophobicContact CZ-CE1 3.8Å; F468-F669 HydrophobicContact CZ-CZ 4.24Å; A604-F669 HydrophobicContact CB-CE1 4.23Å; A604-F669 HydrophobicContact CB-CZ 4.25Å; A604-F669 WeakPolarHBondContact O-CZ 3.28Å; M607-F669 HydrophobicContact CB-CE2 4.27Å; V611-F669 HydrophobicContact CB-CE1 4.37Å; V611-F669 HydrophobicContact CB-CE2 4.49Å; V611-F669 HydrophobicContact CB-CZ 4.26Å; V611-F669 HydrophobicContact CG1-CD1 3.77Å; V611-F669 HydrophobicContact CG1-CD2 3.42Å; V611-F669 VanDerWaalsContact CG1-CD2 3.42Å; V611-F669 HydrophobicContact CG1-CE1 3.72Å; V611-F669 HydrophobicContact CG1-CE2 3.37Å; V611-F669 HydrophobicContact CG1-CG 3.62Å; V611-F669 HydrophobicContact CG1-CZ 3.52Å; V611-F669 HydrophobicContact CG2-CE1 3.82Å; V611-F669 HydrophobicContact CG2-CE2 4.31Å; V611-F669 HydrophobicContact CG2-CZ 3.67Å; V665-F669 HydrophobicContact CG1-CD2 3.62Å; V665-F669 HydrophobicContact CG1-CE2 3.84Å; V665-F669 WeakPolarHBondContact O-CD2 3.1Å; V665-F669 PolarHBondContact O-N 3.31Å; L666-F669 PolarHBondContact O-N 3.46Å; F669-L672 HydrophobicContact CD1-CD2 4.11Å; F669-L672 HydrophobicContact CE1-CD2 4.24Å; F669-G673 PolarHBondContact O-N 3.03Å; F669-F682 HydrophobicContact CD1-CB 3.68Å; F669-F682 HydrophobicContact CE1-CB 4.03Å
670K96.6Very high94.1Very high107 Ų10735 Ų3547%0.46519%0.186SC..Hα-helixtrans-66.1-48.7169.3-173.6176.2179.51800111.1L666 P667 I668 L672 G673 I674 Y683L666-K670 WeakPolarHBondContact O-CB 3.34Å; L666-K670 PolarHBondContact O-N 3.35Å; P667-K670 PolarHBondContact O-N 2.98Å; I668-K670 VanDerWaalsContact C-N 3.28Å; I668-K670 PolarHBondContact O-N 3.49Å; K670-L672 VanDerWaalsContact C-N 3.34Å; K670-L672 PolarHBondContact O-N 2.92Å; K670-G673 PolarHBondContact O-N 3.44Å; K670-I674 HydrophobicContact CG-CD1 3.93Å; K670-I674 VanDerWaalsContact O-CG1 3.25Å; K670-I674 WeakPolarHBondContact O-CG1 3.21Å; K670-I674 PolarHBondContact O-N 3.42Å; K670-Y683 HydrophobicContact CB-CD2 3.75Å; K670-Y683 HydrophobicContact CB-CE2 3.76Å; K670-Y683 HydrophobicContact CD-CE2 4.41Å; K670-Y683 HydrophobicContact CG-CE2 4.26Å
671I96.2Very high94.3Very high4 Ų436.1 Ų36.12%0.02120%0.196CC..Hα-helixtrans-57.9-48.9175-70.4167.7000109.8L578 L579 L600 P667 I668 G673 I674 L675L578-I671 HydrophobicContact CB-CD1 4.27Å; L578-I671 HydrophobicContact CB-CG2 4.18Å; L579-I671 HydrophobicContact CD2-CD1 4Å; L579-I671 HydrophobicContact CD2-CG1 3.95Å; L579-I671 HydrophobicContact CG-CD1 4.34Å; L600-I671 HydrophobicContact CD1-CG2 4.31Å; L600-I671 HydrophobicContact CD2-CG2 3.83Å; P667-I671 VanDerWaalsContact O-CG1 3.32Å; P667-I671 WeakPolarHBondContact O-CG1 3.44Å; P667-I671 PolarHBondContact O-N 3.41Å; I668-I671 PolarHBondContact O-N 3.35Å; I671-G673 VanDerWaalsContact C-N 3.33Å; I671-G673 PolarHBondContact O-N 2.88Å; I671-I674 PolarHBondContact O-N 3.12Å; I671-L675 HydrophobicContact CG2-CD1 3.95Å; I671-L675 WeakPolarHBondContact O-CG 3.4Å; I671-L675 PolarHBondContact O-N 3.2Å
672L95.5Very high94.4Very high0 Ų036.3 Ų36.30%020%0.197CC..Hα-helixtrans-59.8-42.2178.9-170.871.1000112.1L472 L600 L601 A604 I668 F669 K670 F676 V679L472-L672 HydrophobicContact CD2-CD2 4.21Å; L600-L672 HydrophobicContact CD2-CD1 4.04Å; L600-L672 HydrophobicContact CG-CD1 4.23Å; L601-L672 HydrophobicContact CD2-CD1 4.3Å; A604-L672 HydrophobicContact CB-CD2 3.99Å; I668-L672 PolarHBondContact O-N 3.3Å; F669-L672 HydrophobicContact CD1-CD2 4.11Å; F669-L672 HydrophobicContact CE1-CD2 4.24Å; K670-L672 VanDerWaalsContact C-N 3.34Å; K670-L672 PolarHBondContact O-N 2.92Å; L672-F676 HydrophobicContact CD1-CD2 3.9Å; L672-F676 HydrophobicContact CD1-CE2 4.33Å; L672-F676 PolarHBondContact O-N 3.37Å; L672-V679 HydrophobicContact CD2-CG2 4.16Å; L672-V679 HydrophobicContact CG-CG2 3.94Å
673G95.7Very high94.5Very high4 Ų435.3 Ų35.34%0.04119%0.187CC..Hα-helixtrans-70.4-30.7177.600000114.2F669 K670 I671 F676 P677F669-G673 PolarHBondContact O-N 3.03Å; K670-G673 PolarHBondContact O-N 3.44Å; I671-G673 VanDerWaalsContact C-N 3.33Å; I671-G673 PolarHBondContact O-N 2.88Å; G673-F676 CarbonylContact O-C 3.59Å; G673-F676 VanDerWaalsContact O-C 3.32Å; G673-P677 VanDerWaalsContact O-CA 3.28Å; G673-P677 WeakPolarHBondContact O-CA 3.37Å
674I96Very high94.7Very high86 Ų8637 Ų3744%0.44119%0.19SC..Hα-helixtrans-70.6-46.1173.6-69.1164.5000110.3C582 K670 I671C582-I674 HydrophobicContact CB-CG2 3.8Å; K670-I674 HydrophobicContact CG-CD1 3.93Å; K670-I674 VanDerWaalsContact O-CG1 3.25Å; K670-I674 WeakPolarHBondContact O-CG1 3.21Å; K670-I674 PolarHBondContact O-N 3.42Å; I671-I674 PolarHBondContact O-N 3.12Å
675L94.9Very high94.9Very high24 Ų2438.4 Ų38.413%0.12620%0.2CC..Hα-helixtrans-68.2-36.9178.4-66.6174.7000112L581 C582 I586 L597 L600 I671L581-L675 HydrophobicContact CB-CD2 4.43Å; C582-L675 HydrophobicContact CB-CD2 4.49Å; I586-L675 HydrophobicContact CD1-CB 4.43Å; I586-L675 HydrophobicContact CD1-CD2 4.29Å; I586-L675 HydrophobicContact CG1-CD2 4.22Å; L597-L675 HydrophobicContact CD2-CD1 3.99Å; L600-L675 HydrophobicContact CD2-CD1 3.76Å; I671-L675 HydrophobicContact CG2-CD1 3.95Å; I671-L675 WeakPolarHBondContact O-CG 3.4Å; I671-L675 PolarHBondContact O-N 3.2Å
676F95.1Very high95Very high7 Ų738.4 Ų38.43%0.03120%0.2CC..  trans-131.688.1-178.6-54.3-68.4000110.8I476 Q478 L479 L482 I586 L597 L672 G673 N678 V679I476-F676 HydrophobicContact CD1-CB 3.94Å; I476-F676 HydrophobicContact CD1-CD2 3.93Å; I476-F676 HydrophobicContact CD1-CG 3.93Å; I476-F676 HydrophobicContact CG1-CB 4.1Å; I476-F676 HydrophobicContact CG1-CG 4.34Å; I476-F676 HydrophobicContact CG2-CB 4.06Å; I476-F676 HydrophobicContact CG2-CD1 3.28Å; I476-F676 HydrophobicContact CG2-CD2 4.31Å; I476-F676 HydrophobicContact CG2-CE1 3.71Å; I476-F676 HydrophobicContact CG2-CG 3.62Å; I476-F676 HydrophobicContact CG2-CZ 4.37Å; Q478-F676 HydrophobicContact CB-CE1 4.3Å; L479-F676 HydrophobicContact CD2-CZ 4.29Å; L482-F676 HydrophobicContact CD1-CE1 4.08Å; L482-F676 HydrophobicContact CD1-CZ 4.05Å; I586-F676 HydrophobicContact CD1-CE1 3.96Å; I586-F676 HydrophobicContact CD1-CZ 3.73Å; L597-F676 HydrophobicContact CD2-CE2 4.21Å; L597-F676 HydrophobicContact CD2-CZ 4.23Å; L672-F676 HydrophobicContact CD1-CD2 3.9Å; L672-F676 HydrophobicContact CD1-CE2 4.33Å; L672-F676 PolarHBondContact O-N 3.37Å; G673-F676 CarbonylContact O-C 3.59Å; G673-F676 VanDerWaalsContact O-C 3.32Å; F676-N678 PolarHBondContact O-N 2.96Å; F676-V679 HydrophobicContact CB-CG2 3.89Å; F676-V679 WeakPolarHBondContact O-CG2 3.43Å; F676-V679 PolarHBondContact O-N 3.38Å
677P94.2Very high95Very high87 Ų8739.6 Ų39.657%0.56521%0.209SC*.G310 helixtrans-55.4-27.6-175.5-30.436.9000115.2G673 V679 I680G673-P677 VanDerWaalsContact O-CA 3.28Å; G673-P677 WeakPolarHBondContact O-CA 3.37Å; P677-V679 PolarHBondContact O-N 3.07Å; P677-V679 VanDerWaalsContact O-N 3.08Å; P677-I680 WeakPolarHBondContact O-CB 3.38Å; P677-I680 VanDerWaalsContact O-CG2 3.3Å; P677-I680 WeakPolarHBondContact O-CG2 3.27Å; P677-I680 PolarHBondContact O-N 3.45Å
678N92.7Very high95.1Very high90 Ų9042.9 Ų42.948%0.48122%0.219SC..G310 helixtrans-60.6-19178.5-69.3-8.4000114.2R475 F676R475-N678 VanDerWaalsContact O-CB 3.28Å; R475-N678 WeakPolarHBondContact O-CB 3.28Å; R475-N678 PolarHBondContact O-ND2 3.12Å; R475-N678 VanDerWaalsContact O-ND2 3.15Å; F676-N678 PolarHBondContact O-N 2.96Å
679V94.1Very high95.1Very high4 Ų443 Ų432%0.02422%0.219CC..G310 helixtrans-111.812.5-177.6-62.80000113.4L472 R475 I476 L672 F676 P677 N681 F682L472-V679 HydrophobicContact CD2-CG1 4.13Å; R475-V679 HydrophobicContact CB-CG1 3.75Å; I476-V679 HydrophobicContact CD1-CG1 3.86Å; I476-V679 HydrophobicContact CD1-CG2 3.97Å; I476-V679 HydrophobicContact CG1-CG1 3.54Å; I476-V679 HydrophobicContact CG1-CG2 4.32Å; L672-V679 HydrophobicContact CD2-CG2 4.16Å; L672-V679 HydrophobicContact CG-CG2 3.94Å; F676-V679 HydrophobicContact CB-CG2 3.89Å; F676-V679 WeakPolarHBondContact O-CG2 3.43Å; F676-V679 PolarHBondContact O-N 3.38Å; P677-V679 PolarHBondContact O-N 3.07Å; P677-V679 VanDerWaalsContact O-N 3.08Å; V679-N681 PolarHBondContact O-N 3.18Å; V679-N681 VanDerWaalsContact O-N 3.11Å; V679-F682 HydrophobicContact CB-CD2 3.77Å; V679-F682 HydrophobicContact CB-CE2 3.97Å; V679-F682 HydrophobicContact CG1-CD2 4.32Å; V679-F682 HydrophobicContact CG1-CE2 4Å; V679-F682 WeakPolarHBondContact O-CD2 3.35Å; V679-F682 PolarHBondContact O-N 2.76Å
680I94.5Very high95.1Very high58 Ų5843.7 Ų43.730%0.29722%0.223SC..Hα-helixtrans-56.4-28.1176.6-16563.2000113P677 F682 Y683 E684P677-I680 WeakPolarHBondContact O-CB 3.38Å; P677-I680 VanDerWaalsContact O-CG2 3.3Å; P677-I680 WeakPolarHBondContact O-CG2 3.27Å; P677-I680 PolarHBondContact O-N 3.45Å; I680-F682 PolarHBondContact O-N 3.49Å; I680-F682 VanDerWaalsContact O-N 3.1Å; I680-Y683 HydrophobicContact CD1-CD1 4.24Å; I680-Y683 WeakPolarHBondContact O-CA 3.3Å; I680-Y683 WeakPolarHBondContact O-CB 3.44Å; I680-Y683 PolarHBondContact O-N 3.5Å; I680-E684 PolarHBondContact O-N 3.3Å; I680-E684 VanDerWaalsContact O-N 3.16Å
681N93.4Very high95.1Very high73 Ų7341.1 Ų41.139%0.3921%0.214SC..Hα-helixtrans-57.1-26.4176.5-63.7-21.8000113.5V404 V679 S685V404-N681 HydrophobicContact CG1-CB 4.35Å; V679-N681 PolarHBondContact O-N 3.18Å; V679-N681 VanDerWaalsContact O-N 3.11Å; N681-S685 WeakPolarHBondContact O-CB 3.3Å; N681-S685 PolarHBondContact O-N 2.95Å; N681-S685 PolarHBondContact O-OG 3.3Å
682F94.9Very high95.1Very high4 Ų440.9 Ų40.92%0.01821%0.213CC..Hα-helixtrans-71.2-37.7173.9-65.3-53.7000111.8V404 F468 I471 L472 V611 F669 V679 I680 S685 A686V404-F682 HydrophobicContact CB-CE1 4.42Å; V404-F682 HydrophobicContact CG1-CD1 3.95Å; V404-F682 HydrophobicContact CG1-CE1 3.39Å; V404-F682 HydrophobicContact CG1-CZ 3.77Å; F468-F682 HydrophobicContact CD2-CE1 4.46Å; F468-F682 HydrophobicContact CD2-CZ 4.48Å; F468-F682 AromaticContact CE2-CD1 3.83Å; F468-F682 HydrophobicContact CE2-CD1 3.83Å; F468-F682 HydrophobicContact CE2-CD2 4.37Å; F468-F682 AromaticContact CE2-CE1 3.41Å; F468-F682 HydrophobicContact CE2-CE1 3.41Å; F468-F682 VanDerWaalsContact CE2-CE1 3.41Å; F468-F682 HydrophobicContact CE2-CE2 4.05Å; F468-F682 HydrophobicContact CE2-CG 4.3Å; F468-F682 AromaticContact CE2-CZ 3.54Å; F468-F682 HydrophobicContact CE2-CZ 3.54Å; F468-F682 AromaticContact CZ-CD1 3.98Å; F468-F682 HydrophobicContact CZ-CD1 3.98Å; F468-F682 AromaticContact CZ-CD2 3.84Å; F468-F682 HydrophobicContact CZ-CD2 3.84Å; F468-F682 AromaticContact CZ-CE1 3.87Å; F468-F682 HydrophobicContact CZ-CE1 3.87Å; F468-F682 AromaticContact CZ-CE2 3.77Å; F468-F682 HydrophobicContact CZ-CE2 3.77Å; F468-F682 AromaticContact CZ-CG 3.98Å; F468-F682 HydrophobicContact CZ-CG 3.98Å; F468-F682 AromaticContact CZ-CZ 3.77Å; F468-F682 HydrophobicContact CZ-CZ 3.77Å; I471-F682 HydrophobicContact CG2-CZ 3.95Å; L472-F682 HydrophobicContact CD2-CD2 4.33Å; L472-F682 HydrophobicContact CD2-CE2 3.8Å; V611-F682 HydrophobicContact CB-CB 4.02Å; V611-F682 HydrophobicContact CB-CD1 4.22Å; V611-F682 HydrophobicContact CG1-CB 4.13Å; V611-F682 VanDerWaalsContact CG1-O 3.3Å; V611-F682 WeakPolarHBondContact CG1-O 3.37Å; V611-F682 HydrophobicContact CG2-CB 4.16Å; V611-F682 HydrophobicContact CG2-CD1 3.86Å; V611-F682 HydrophobicContact CG2-CG 4.23Å; F669-F682 HydrophobicContact CD1-CB 3.68Å; F669-F682 HydrophobicContact CE1-CB 4.03Å; V679-F682 HydrophobicContact CB-CD2 3.77Å; V679-F682 HydrophobicContact CB-CE2 3.97Å; V679-F682 HydrophobicContact CG1-CD2 4.32Å; V679-F682 HydrophobicContact CG1-CE2 4Å; V679-F682 WeakPolarHBondContact O-CD2 3.35Å; V679-F682 PolarHBondContact O-N 2.76Å; I680-F682 PolarHBondContact O-N 3.49Å; I680-F682 VanDerWaalsContact O-N 3.1Å; F682-S685 PolarHBondContact O-N 3.04Å; F682-A686 PolarHBondContact O-N 3.11Å
683Y95.9Very high95.1Very high71 Ų7140.9 Ų40.928%0.27821%0.213SC..Hα-helixtrans-63.5-43.5173.5170.4-101.7000111.5L666 K670 I680 S685 A686 S687L666-Y683 HydrophobicContact CB-CE2 4.27Å; L666-Y683 HydrophobicContact CD2-CD2 3.85Å; L666-Y683 HydrophobicContact CD2-CE2 3.67Å; K670-Y683 HydrophobicContact CB-CD2 3.75Å; K670-Y683 HydrophobicContact CB-CE2 3.76Å; K670-Y683 HydrophobicContact CD-CE2 4.41Å; K670-Y683 HydrophobicContact CG-CE2 4.26Å; I680-Y683 HydrophobicContact CD1-CD1 4.24Å; I680-Y683 WeakPolarHBondContact O-CA 3.3Å; I680-Y683 WeakPolarHBondContact O-CB 3.44Å; I680-Y683 PolarHBondContact O-N 3.5Å; Y683-S685 VanDerWaalsContact C-N 3.3Å; Y683-S685 PolarHBondContact O-N 3.09Å; Y683-A686 PolarHBondContact O-N 2.99Å; Y683-S687 WeakPolarHBondContact O-CB 3.27Å; Y683-S687 PolarHBondContact O-N 2.86Å; Y683-S687 PolarHBondContact O-OG 3.36Å
684E94.9Very high95Very high112 Ų11244.6 Ų44.652%0.52323%0.229SC..Hα-helixtrans-62-39.4174.5-63.3178.3168.400111.7I680 S687 Y688I680-E684 PolarHBondContact O-N 3.3Å; I680-E684 VanDerWaalsContact O-N 3.16Å; E684-S687 WeakPolarHBondContact O-CB 3.06Å; E684-S687 PolarHBondContact O-N 2.89Å; E684-Y688 PolarHBondContact O-N 3.45Å
685S94.2Very high95Very high35 Ų3540.6 Ų40.625%0.24521%0.209CC..Hα-helixtrans-68-42178.1-59.70000112.2V611 N681 F682 Y683 S687 Y688 N689V611-S685 WeakPolarHBondContact O-CB 3.39Å; N681-S685 WeakPolarHBondContact O-CB 3.3Å; N681-S685 PolarHBondContact O-N 2.95Å; N681-S685 PolarHBondContact O-OG 3.3Å; F682-S685 PolarHBondContact O-N 3.04Å; Y683-S685 VanDerWaalsContact C-N 3.3Å; Y683-S685 PolarHBondContact O-N 3.09Å; S685-S687 VanDerWaalsContact C-N 3.3Å; S685-S687 PolarHBondContact O-N 3.44Å; S685-Y688 PolarHBondContact O-N 3.47Å; S685-N689 PolarHBondContact O-N 2.88Å
686A94.8Very high94.9Very high0 Ų039.5 Ų39.50%020%0.203CC..Hα-helixtrans-61.7-39170.400000112V611 V665 L666 F682 Y683 Y688 N689 L690V611-A686 HydrophobicContact CG1-CB 3.74Å; V665-A686 HydrophobicContact CG1-CB 4.17Å; L666-A686 HydrophobicContact CD2-CB 3.65Å; L666-A686 HydrophobicContact CG-CB 4.46Å; F682-A686 PolarHBondContact O-N 3.11Å; Y683-A686 PolarHBondContact O-N 2.99Å; A686-Y688 VanDerWaalsContact C-N 3.32Å; A686-Y688 PolarHBondContact O-N 3.32Å; A686-N689 PolarHBondContact O-N 2.97Å; A686-L690 PolarHBondContact O-N 3.45Å
687S96.3Very high94.8Very high39 Ų3942.1 Ų42.127%0.27321%0.214SC..Hα-helixtrans-64-40.7178.2-58.70000111.1L666 Y683 E684 S685 L690 L691L666-S687 VanDerWaalsContact CD2-OG 3.31Å; L666-S687 WeakPolarHBondContact CD2-OG 3.31Å; Y683-S687 WeakPolarHBondContact O-CB 3.27Å; Y683-S687 PolarHBondContact O-N 2.86Å; Y683-S687 PolarHBondContact O-OG 3.36Å; E684-S687 WeakPolarHBondContact O-CB 3.06Å; E684-S687 PolarHBondContact O-N 2.89Å; S685-S687 VanDerWaalsContact C-N 3.3Å; S685-S687 PolarHBondContact O-N 3.44Å; S687-L690 PolarHBondContact O-N 3.13Å; S687-L691 PolarHBondContact O-N 3.06Å; S687-L691 VanDerWaalsContact O-N 3.1Å
688Y95.6Very high94.7Very high94 Ų9442.5 Ų42.537%0.36921%0.209SC..Hα-helixtrans-64.2-42.7173179.3-94.6000112.2W614 E684 S685 A686 L690 L691 C692 I728W614-Y688 HydrophobicContact CB-CE1 4.39Å; E684-Y688 PolarHBondContact O-N 3.45Å; S685-Y688 PolarHBondContact O-N 3.47Å; A686-Y688 VanDerWaalsContact C-N 3.32Å; A686-Y688 PolarHBondContact O-N 3.32Å; Y688-L690 PolarHBondContact O-N 3.35Å; Y688-L691 WeakPolarHBondContact O-CB 3.48Å; Y688-L691 PolarHBondContact O-N 3.02Å; Y688-C692 WeakPolarHBondContact CE1-SG 3.41Å; Y688-C692 PolarHBondContact O-N 2.88Å; Y688-C692 PolarHBondContact O-SG 2.96Å; Y688-I728 HydrophobicContact CE2-CG2 3.92Å
689N95.4Very high94.7Very high2 Ų239 Ų391%0.01119%0.19CC..Hα-helixtrans-63.4-41.5176.3-73.6-15.9000111.5H610 M612 W614 S685 A686 L691 C692 Y693H610-N689 PolarHBondContact O-ND2 3.42Å; M612-N689 PolarHBondContact O-ND2 3.09Å; W614-N689 WeakPolarHBondContact CA-OD1 3.33Å; W614-N689 WeakPolarHBondContact CB-OD1 3.48Å; S685-N689 PolarHBondContact O-N 2.88Å; A686-N689 PolarHBondContact O-N 2.97Å; N689-L691 PolarHBondContact O-N 3.48Å; N689-C692 WeakPolarHBondContact O-CA 3.44Å; N689-C692 VanDerWaalsContact O-CB 3.27Å; N689-C692 WeakPolarHBondContact O-CB 3.5Å; N689-C692 PolarHBondContact O-N 3.03Å; N689-C692 VanDerWaalsContact O-N 3.08Å; N689-Y693 WeakPolarHBondContact O-CD2 3.43Å; N689-Y693 PolarHBondContact O-N 3.03Å
690L96.3Very high94.5Very high17 Ų1739.1 Ų39.19%0.08919%0.19CC..Hα-helixtrans-56.2-49.5173.9178.862.2000111.2I658 L661 D662 L666 A686 S687 Y688 C692 Y693 E694I658-L690 HydrophobicContact CB-CD1 4.29Å; I658-L690 HydrophobicContact CG1-CD1 4.47Å; I658-L690 HydrophobicContact CG2-CD1 3.8Å; L661-L690 HydrophobicContact CB-CD1 4Å; D662-L690 HydrophobicContact CB-CD1 4.5Å; D662-L690 HydrophobicContact CB-CD2 4.31Å; L666-L690 HydrophobicContact CD1-CD2 3.48Å; L666-L690 VanDerWaalsContact CD1-CD2 3.48Å; A686-L690 PolarHBondContact O-N 3.45Å; S687-L690 PolarHBondContact O-N 3.13Å; Y688-L690 PolarHBondContact O-N 3.35Å; L690-C692 PolarHBondContact O-N 3.09Å; L690-Y693 PolarHBondContact O-N 2.82Å; L690-Y693 VanDerWaalsContact O-N 3.1Å; L690-E694 HydrophobicContact CD1-CG 4.33Å; L690-E694 HydrophobicContact CG-CG 4.47Å; L690-E694 WeakPolarHBondContact O-CG 3.49Å; L690-E694 PolarHBondContact O-N 3.35Å
691L96.3Very high94.2Very high52 Ų5241 Ų4127%0.27219%0.194SC..Hα-helixtrans-57.6-37.2176.1179.562.9000112.3S687 Y688 N689 T695 I728S687-L691 PolarHBondContact O-N 3.06Å; S687-L691 VanDerWaalsContact O-N 3.1Å; Y688-L691 WeakPolarHBondContact O-CB 3.48Å; Y688-L691 PolarHBondContact O-N 3.02Å; N689-L691 PolarHBondContact O-N 3.48Å; L691-T695 WeakPolarHBondContact O-CB 3.41Å; L691-T695 PolarHBondContact O-N 3.45Å; L691-T695 PolarHBondContact O-OG1 2.85Å; L691-I728 HydrophobicContact CD2-CG2 4.41Å
692C95.9Very high94Very high0 Ų043.3 Ų43.30%021%0.207CC..Hα-helixtrans-62.7-48.1174.9-63.20000112.3W614 Y688 N689 L690 T695 M696 V724 I728W614-C692 HydrophobicContact CD2-CB 3.95Å; W614-C692 HydrophobicContact CG-CB 3.89Å; Y688-C692 WeakPolarHBondContact CE1-SG 3.41Å; Y688-C692 PolarHBondContact O-N 2.88Å; Y688-C692 PolarHBondContact O-SG 2.96Å; N689-C692 WeakPolarHBondContact O-CA 3.44Å; N689-C692 VanDerWaalsContact O-CB 3.27Å; N689-C692 WeakPolarHBondContact O-CB 3.5Å; N689-C692 PolarHBondContact O-N 3.03Å; N689-C692 VanDerWaalsContact O-N 3.08Å; L690-C692 PolarHBondContact O-N 3.09Å; C692-T695 PolarHBondContact O-N 2.96Å; C692-M696 WeakPolarHBondContact O-CB 3.43Å; C692-M696 PolarHBondContact O-N 3.09Å; C692-V724 HydrophobicContact CB-CG1 4.29Å; C692-I728 HydrophobicContact CB-CD1 4.02Å; C692-I728 WeakPolarHBondContact SG-CD1 3.46Å
693Y95.1Very high93.2Very high0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-67.4-38.1178.9-75.2-73.2000112.7W614 S617 Q657 L661 N689 L690 T695 M696 K697 F715W614-Y693 AromaticContact CE3-CE2 3.89Å; W614-Y693 HydrophobicContact CE3-CE2 3.89Å; W614-Y693 AromaticContact CE3-CZ 3.99Å; W614-Y693 AromaticContact CH2-CD1 3.63Å; W614-Y693 HydrophobicContact CH2-CD1 3.63Å; W614-Y693 HydrophobicContact CH2-CD2 4.29Å; W614-Y693 AromaticContact CH2-CE1 3.06Å; W614-Y693 HydrophobicContact CH2-CE1 3.06Å; W614-Y693 AromaticContact CH2-CE2 3.8Å; W614-Y693 HydrophobicContact CH2-CE2 3.8Å; W614-Y693 HydrophobicContact CH2-CG 4.24Å; W614-Y693 AromaticContact CH2-CZ 3.2Å; W614-Y693 HydrophobicContact CZ2-CD1 4.21Å; W614-Y693 HydrophobicContact CZ2-CE1 4.05Å; W614-Y693 HydrophobicContact CZ3-CD1 4.2Å; W614-Y693 HydrophobicContact CZ3-CD2 4.11Å; W614-Y693 AromaticContact CZ3-CE1 3.44Å; W614-Y693 HydrophobicContact CZ3-CE1 3.44Å; W614-Y693 VanDerWaalsContact CZ3-CE1 3.44Å; W614-Y693 AromaticContact CZ3-CE2 3.31Å; W614-Y693 HydrophobicContact CZ3-CE2 3.31Å; W614-Y693 AromaticContact CZ3-CZ 2.96Å; W614-Y693 WeakPolarHBondContact CZ3-OH 3.24Å; S617-Y693 PolarHBondContact O-OH 3.3Å; S617-Y693 PolarHBondContact OG-OH 2.9Å; Q657-Y693 HydrophobicContact CB-CD1 4.38Å; Q657-Y693 HydrophobicContact CB-CE1 4.24Å; Q657-Y693 HydrophobicContact CG-CD1 3.85Å; Q657-Y693 HydrophobicContact CG-CD2 4.12Å; Q657-Y693 HydrophobicContact CG-CE1 3.39Å; Q657-Y693 HydrophobicContact CG-CE2 3.73Å; Q657-Y693 HydrophobicContact CG-CG 4.15Å; Q657-Y693 PolarHBondContact NE2-OH 2.87Å; L661-Y693 HydrophobicContact CD1-CD2 3.31Å; L661-Y693 HydrophobicContact CD1-CE2 3.52Å; L661-Y693 HydrophobicContact CD1-CG 4.33Å; N689-Y693 WeakPolarHBondContact O-CD2 3.43Å; N689-Y693 PolarHBondContact O-N 3.03Å; L690-Y693 PolarHBondContact O-N 2.82Å; L690-Y693 VanDerWaalsContact O-N 3.1Å; Y693-T695 VanDerWaalsContact C-N 3.34Å; Y693-T695 PolarHBondContact O-N 3.31Å; Y693-M696 HydrophobicContact CD1-SD 4.44Å; Y693-M696 WeakPolarHBondContact O-CB 3.22Å; Y693-M696 PolarHBondContact O-N 3.22Å; Y693-K697 WeakPolarHBondContact O-CB 3.45Å; Y693-K697 PolarHBondContact O-N 3.02Å; Y693-F715 HydrophobicContact CD1-CE1 4.21Å; Y693-F715 HydrophobicContact CE1-CD1 4.01Å; Y693-F715 AromaticContact CE1-CE1 3.62Å; Y693-F715 HydrophobicContact CE1-CE1 3.62Å
694E95.3Very high92.3Very high82 Ų8249.5 Ų49.538%0.38325%0.246SC..Hα-helixtrans-61.8-43.2174-71.9-178.8151.400111.8I658 L690 K697 Q698I658-E694 HydrophobicContact CD1-CG 4.19Å; I658-E694 HydrophobicContact CG1-CG 4.37Å; I658-E694 HydrophobicContact CG2-CG 4.28Å; L690-E694 HydrophobicContact CD1-CG 4.33Å; L690-E694 HydrophobicContact CG-CG 4.47Å; L690-E694 WeakPolarHBondContact O-CG 3.49Å; L690-E694 PolarHBondContact O-N 3.35Å; E694-K697 WeakPolarHBondContact O-CB 3.34Å; E694-K697 PolarHBondContact O-N 3.5Å; E694-Q698 WeakPolarHBondContact O-CG 3.45Å; E694-Q698 PolarHBondContact O-N 3.37Å
695T94.5Very high91.8Very high1 Ų146.1 Ų46.11%0.00623%0.23CC..Hα-helixtrans-66.9-39176.2-580000111.2L691 C692 Y693 Q698 L699 V724 E727 I728 K731L691-T695 WeakPolarHBondContact O-CB 3.41Å; L691-T695 PolarHBondContact O-N 3.45Å; L691-T695 PolarHBondContact O-OG1 2.85Å; C692-T695 PolarHBondContact O-N 2.96Å; Y693-T695 VanDerWaalsContact C-N 3.34Å; Y693-T695 PolarHBondContact O-N 3.31Å; T695-Q698 PolarHBondContact O-N 3.39Å; T695-L699 HydrophobicContact CG2-CD1 4.4Å; T695-L699 WeakPolarHBondContact O-CG 3.44Å; T695-L699 PolarHBondContact O-N 3.47Å; T695-V724 HydrophobicContact CG2-CG1 4.33Å; T695-E727 HydrophobicContact CG2-CB 3.76Å; T695-E727 HydrophobicContact CG2-CG 3.9Å; T695-I728 HydrophobicContact CG2-CG1 4.38Å; T695-K731 PolarHBondContact OG1-NZ 2.74Å
696M94.1Very high91.1Very high2 Ų248 Ų481%0.0124%0.243CC..Hα-helixtrans-59.3-46172.2178.1-179.8-86.200111.3W614 V654 C692 Y693 Q698 L699 I700 F715 L720 V724W614-M696 HydrophobicContact CH2-CE 4.41Å; W614-M696 HydrophobicContact CZ2-CE 3.74Å; W614-M696 HydrophobicContact CZ2-SD 4.48Å; V654-M696 HydrophobicContact CG1-CG 4.43Å; V654-M696 HydrophobicContact CG1-SD 4.48Å; V654-M696 HydrophobicContact CG2-SD 4.34Å; C692-M696 WeakPolarHBondContact O-CB 3.43Å; C692-M696 PolarHBondContact O-N 3.09Å; Y693-M696 HydrophobicContact CD1-SD 4.44Å; Y693-M696 WeakPolarHBondContact O-CB 3.22Å; Y693-M696 PolarHBondContact O-N 3.22Å; M696-Q698 PolarHBondContact O-N 3.33Å; M696-L699 PolarHBondContact O-N 3.43Å; M696-I700 HydrophobicContact CG-CD1 3.86Å; M696-I700 WeakPolarHBondContact O-CG1 3.3Å; M696-I700 PolarHBondContact O-N 3.11Å; M696-F715 HydrophobicContact SD-CD1 4.21Å; M696-F715 HydrophobicContact SD-CE1 4.37Å; M696-L720 HydrophobicContact CE-CD2 4.09Å; M696-L720 HydrophobicContact CE-CG 4.22Å; M696-L720 HydrophobicContact CG-CD1 4.45Å; M696-L720 HydrophobicContact CG-CD2 4.04Å; M696-L720 HydrophobicContact CG-CG 4.35Å; M696-L720 HydrophobicContact SD-CD2 4.46Å; M696-V724 HydrophobicContact CB-CG2 3.79Å; M696-V724 HydrophobicContact CG-CG2 4.43Å
697K92.9Very high90.3Very high62 Ų6252.1 Ų52.127%0.2728%0.277SS..Hα-helixtrans-59.7-46.6176.1-175.1-179.4172.6-171.20111.3V654 I658 Y693 E694 L699 I700 Y701V654-K697 HydrophobicContact CG1-CB 3.82Å; I658-K697 HydrophobicContact CD1-CB 3.9Å; I658-K697 HydrophobicContact CD1-CD 3.67Å; I658-K697 HydrophobicContact CD1-CG 4.42Å; Y693-K697 WeakPolarHBondContact O-CB 3.45Å; Y693-K697 PolarHBondContact O-N 3.02Å; E694-K697 WeakPolarHBondContact O-CB 3.34Å; E694-K697 PolarHBondContact O-N 3.5Å; K697-L699 PolarHBondContact O-N 3.13Å; K697-I700 PolarHBondContact O-N 3.31Å; K697-Y701 HydrophobicContact CG-CD2 3.75Å; K697-Y701 HydrophobicContact CG-CE2 3.77Å; K697-Y701 WeakPolarHBondContact O-CB 3.4Å; K697-Y701 WeakPolarHBondContact O-CD2 3.41Å; K697-Y701 PolarHBondContact O-N 3.15Å
698Q92.5Very high89.4Confident95 Ų9552.1 Ų52.144%0.44427%0.272SS..Hα-helixtrans-54.7-51.5176.1-72.8170.9-13.200110.9E694 T695 M696 I700 Y701 D702 K731E694-Q698 WeakPolarHBondContact O-CG 3.45Å; E694-Q698 PolarHBondContact O-N 3.37Å; T695-Q698 PolarHBondContact O-N 3.39Å; M696-Q698 PolarHBondContact O-N 3.33Å; Q698-I700 PolarHBondContact O-N 3Å; Q698-Y701 PolarHBondContact O-N 3.1Å; Q698-D702 VanDerWaalsContact O-CB 3.28Å; Q698-D702 WeakPolarHBondContact O-CB 2.99Å; Q698-D702 PolarHBondContact O-N 3.22Å; Q698-K731 VanDerWaalsContact OE1-NZ 3.08Å
699L92.5Very high88.4Confident17 Ų1754.4 Ų54.49%0.08928%0.284CS..Hα-helixtrans-63-34.9-178.3-69.9172.5000114.5T695 M696 K697 F705 L720 A723 V724T695-L699 HydrophobicContact CG2-CD1 4.4Å; T695-L699 WeakPolarHBondContact O-CG 3.44Å; T695-L699 PolarHBondContact O-N 3.47Å; M696-L699 PolarHBondContact O-N 3.43Å; K697-L699 PolarHBondContact O-N 3.13Å; L699-F705 HydrophobicContact CB-CD2 4.14Å; L699-F705 PolarHBondContact O-N 3.34Å; L699-L720 HydrophobicContact CB-CD1 4.14Å; L699-L720 HydrophobicContact CD1-CD1 4.35Å; L699-A723 HydrophobicContact CD1-CB 3.84Å; L699-V724 HydrophobicContact CD1-CB 4.45Å; L699-V724 HydrophobicContact CD1-CG2 3.74Å
700I90.2Very high87.3Confident6 Ų654.8 Ų54.83%0.03129%0.289CS..Hα-helixtrans-70-43.6175.6-67.7167.9000110.5V654 M696 K697 Q698 G703 F705 F708 K709 A714 L720V654-I700 HydrophobicContact CG2-CD1 4Å; M696-I700 HydrophobicContact CG-CD1 3.86Å; M696-I700 WeakPolarHBondContact O-CG1 3.3Å; M696-I700 PolarHBondContact O-N 3.11Å; K697-I700 PolarHBondContact O-N 3.31Å; Q698-I700 PolarHBondContact O-N 3Å; I700-G703 PolarHBondContact O-N 3.34Å; I700-F705 HydrophobicContact CG1-CB 4.2Å; I700-F708 HydrophobicContact CD1-CB 4.4Å; I700-F708 HydrophobicContact CG1-CB 4.38Å; I700-K709 HydrophobicContact CG2-CB 4.32Å; I700-A714 HydrophobicContact CD1-CB 4.35Å; I700-L720 HydrophobicContact CD1-CD2 4.09Å; I700-L720 HydrophobicContact CG1-CD1 4.45Å; I700-L720 HydrophobicContact CG1-CD2 4.15Å
701Y87.5Confident86.7Confident96 Ų9658.7 Ų58.738%0.37631%0.306SS..Hα-helixtrans-79.8-28.3-174-79.8-111.3000113.1D652 K697 Q698 G703D652-Y701 PolarHBondContact OD1-OH 3.42Å; D652-Y701 VanDerWaalsContact OD1-OH 3.13Å; D652-Y701 PolarHBondContact OD2-OH 2.97Å; K697-Y701 HydrophobicContact CG-CD2 3.75Å; K697-Y701 HydrophobicContact CG-CE2 3.77Å; K697-Y701 WeakPolarHBondContact O-CB 3.4Å; K697-Y701 WeakPolarHBondContact O-CD2 3.41Å; K697-Y701 PolarHBondContact O-N 3.15Å; Q698-Y701 PolarHBondContact O-N 3.1Å; Y701-G703 PolarHBondContact O-N 2.96Å; Y701-G703 VanDerWaalsContact O-N 3.12Å
702D88Confident86.2Confident123 Ų12357 Ų5766%0.65830%0.297SS*.THydrogen-bonded Turntrans-72.74.8174.1-67.4-11.8000112.9Q698 K704Q698-D702 VanDerWaalsContact O-CB 3.28Å; Q698-D702 WeakPolarHBondContact O-CB 2.99Å; Q698-D702 PolarHBondContact O-N 3.22Å; D702-K704 PolarHBondContact O-N 3.38Å
703G79.4Confident85.9Confident39 Ų3959.9 Ų59.940%0.40232%0.315SS..SBendtrans93.3-23169.700000115.4I700 Y701 F705 S706I700-G703 PolarHBondContact O-N 3.34Å; Y701-G703 PolarHBondContact O-N 2.96Å; Y701-G703 VanDerWaalsContact O-N 3.12Å; G703-F705 PolarHBondContact O-N 3.41Å; G703-S706 PolarHBondContact O-N 2.9Å; G703-S706 PolarHBondContact O-OG 3Å; G703-S706 VanDerWaalsContact O-OG 3.08Å
704K76.3Confident85.7Confident165 Ų16559.9 Ų59.972%0.71732%0.315SS*.THydrogen-bonded Turntrans-59.4-32-177.9-70.6-176.9-179.2173.90113.5D702D702-K704 PolarHBondContact O-N 3.38Å
705F84.7Confident85.4Confident41 Ų4156 Ų5618%0.1830%0.297CS..THydrogen-bonded Turntrans-128.431.6-179.2-68.1-83.1000111.3L699 I700 G703 A707 F708 E719 L720 A723L699-F705 HydrophobicContact CB-CD2 4.14Å; L699-F705 PolarHBondContact O-N 3.34Å; I700-F705 HydrophobicContact CG1-CB 4.2Å; G703-F705 PolarHBondContact O-N 3.41Å; F705-A707 PolarHBondContact O-N 3.31Å; F705-A707 VanDerWaalsContact O-N 3.11Å; F705-F708 HydrophobicContact CB-CD2 3.94Å; F705-F708 HydrophobicContact CD1-CD2 4.1Å; F705-F708 AromaticContact CD1-CE2 3.93Å; F705-F708 HydrophobicContact CD1-CE2 3.93Å; F705-F708 WeakPolarHBondContact O-CB 3.29Å; F705-F708 PolarHBondContact O-N 3.26Å; F705-E719 HydrophobicContact CE1-CB 4.35Å; F705-L720 HydrophobicContact CB-CD1 4.18Å; F705-L720 HydrophobicContact CD1-CB 4.13Å; F705-L720 HydrophobicContact CD1-CD1 4.21Å; F705-L720 HydrophobicContact CD2-CD1 3.8Å; F705-L720 HydrophobicContact CE1-CB 4.11Å; F705-L720 HydrophobicContact CE2-CD1 4.17Å; F705-L720 HydrophobicContact CG-CD1 3.81Å; F705-A723 HydrophobicContact CE2-CB 3.79Å; F705-A723 HydrophobicContact CZ-CB 3.93Å
706S78.5Confident85.2Confident76 Ų7659.6 Ų59.653%0.53132%0.315SS..G310 helixtrans-57.7-27.2-174.150.30000114.8G703 F708 K709G703-S706 PolarHBondContact O-N 2.9Å; G703-S706 PolarHBondContact O-OG 3Å; G703-S706 VanDerWaalsContact O-OG 3.08Å; S706-F708 PolarHBondContact O-N 3.1Å; S706-F708 VanDerWaalsContact O-N 3.15Å; S706-K709 WeakPolarHBondContact O-CB 3.33Å; S706-K709 PolarHBondContact O-N 3.26Å
707A78Confident85.1Confident85 Ų8561.5 Ų61.570%0.70233%0.326SS*.G310 helixtrans-59.6-21.217500000113.5F705 K709F705-A707 PolarHBondContact O-N 3.31Å; F705-A707 VanDerWaalsContact O-N 3.11Å; A707-K709 VanDerWaalsContact C-N 3.35Å
708F78.9Confident85Confident39 Ų3962.3 Ų62.317%0.17134%0.338CS..G310 helixtrans-89.85.3-178.4-68.9-72.7000114.1I700 F705 S706 G710 E711 A714 D717I700-F708 HydrophobicContact CD1-CB 4.4Å; I700-F708 HydrophobicContact CG1-CB 4.38Å; F705-F708 HydrophobicContact CB-CD2 3.94Å; F705-F708 HydrophobicContact CD1-CD2 4.1Å; F705-F708 AromaticContact CD1-CE2 3.93Å; F705-F708 HydrophobicContact CD1-CE2 3.93Å; F705-F708 WeakPolarHBondContact O-CB 3.29Å; F705-F708 PolarHBondContact O-N 3.26Å; S706-F708 PolarHBondContact O-N 3.1Å; S706-F708 VanDerWaalsContact O-N 3.15Å; F708-G710 PolarHBondContact O-N 2.92Å; F708-E711 PolarHBondContact O-N 2.66Å; F708-E711 VanDerWaalsContact O-N 3.16Å; F708-A714 HydrophobicContact CB-CB 3.93Å; F708-A714 HydrophobicContact CD1-CB 4.16Å; F708-A714 HydrophobicContact CG-CB 4.33Å; F708-D717 HydrophobicContact CE1-CB 3.99Å; F708-D717 HydrophobicContact CZ-CB 3.83Å
709K73.8Confident85Confident142 Ų14262.8 Ų62.862%0.61734%0.341SS*.THydrogen-bonded Turntrans-66.2105.3-178.3-170.9177.4-178.5179.50110.9I700 S706 A707 E711I700-K709 HydrophobicContact CG2-CB 4.32Å; S706-K709 WeakPolarHBondContact O-CB 3.33Å; S706-K709 PolarHBondContact O-N 3.26Å; A707-K709 VanDerWaalsContact C-N 3.35Å; K709-E711 VanDerWaalsContact C-N 3.33Å
710G71.6Confident84.9Confident11 Ų1162 Ų6211%0.11334%0.336CS..THydrogen-bonded Turntrans84.43.6-179.300000114.6F708F708-G710 PolarHBondContact O-N 2.92Å
711E84Confident85Confident98 Ų9863.4 Ų63.446%0.45834%0.343SS..  trans-95124179.3-70.3-62.7149.500110.7I653 F708 K709 T713 A714I653-E711 WeakPolarHBondContact CD1-O 3.41Å; F708-E711 PolarHBondContact O-N 2.66Å; F708-E711 VanDerWaalsContact O-N 3.16Å; K709-E711 VanDerWaalsContact C-N 3.33Å; E711-T713 PolarHBondContact O-N 3Å; E711-T713 VanDerWaalsContact O-N 3.12Å; E711-A714 VanDerWaalsContact O-CB 3.23Å; E711-A714 WeakPolarHBondContact O-CB 3.41Å; E711-A714 PolarHBondContact O-N 3.05Å; E711-A714 VanDerWaalsContact O-N 3.08Å
712I87.4Confident85.3Confident17 Ų1764.8 Ų64.89%0.08735%0.351CS..G310 helixtrans-60.4-25.7-179.856.5172.9000112.8F622 F625 E626 F629 I653 A714 F715F622-I712 HydrophobicContact CD2-CB 4.11Å; F622-I712 HydrophobicContact CD2-CD1 4.4Å; F622-I712 HydrophobicContact CD2-CG1 4.29Å; F622-I712 WeakPolarHBondContact CD2-O 3.37Å; F622-I712 HydrophobicContact CE2-CB 4.18Å; F622-I712 HydrophobicContact CE2-CD1 3.81Å; F622-I712 HydrophobicContact CE2-CG1 3.84Å; F622-I712 HydrophobicContact CZ-CD1 4.1Å; F625-I712 HydrophobicContact CB-CG2 3.72Å; E626-I712 HydrophobicContact CB-CD1 3.98Å; E626-I712 HydrophobicContact CG-CD1 4.39Å; F629-I712 HydrophobicContact CD2-CG2 3.87Å; F629-I712 HydrophobicContact CE2-CG2 3.45Å; F629-I712 VanDerWaalsContact CE2-CG2 3.45Å; F629-I712 HydrophobicContact CZ-CG2 4.42Å; I653-I712 HydrophobicContact CD1-CB 4.39Å; I653-I712 HydrophobicContact CD1-CG2 3.99Å; I712-A714 PolarHBondContact O-N 3.14Å; I712-F715 WeakPolarHBondContact O-CD2 3.49Å; I712-F715 PolarHBondContact O-N 3.06Å
713T89.1Confident85.6Confident60 Ų6060.1 Ų60.137%0.36833%0.329SS..G310 helixtrans-57.5-20.9176.955.60000112.8E711 F715 I716 D717E711-T713 PolarHBondContact O-N 3Å; E711-T713 VanDerWaalsContact O-N 3.12Å; T713-F715 PolarHBondContact O-N 3.03Å; T713-F715 VanDerWaalsContact O-N 3.14Å; T713-I716 WeakPolarHBondContact O-CG1 3.1Å; T713-I716 PolarHBondContact O-N 3.24Å; T713-D717 PolarHBondContact O-N 2.77Å
714A89.6Confident86.2Confident0 Ų058.3 Ų58.30%031%0.31CS..G310 helixtrans-51.7-34.6172.200000113.3I700 F708 E711 I712 L720I700-A714 HydrophobicContact CD1-CB 4.35Å; F708-A714 HydrophobicContact CB-CB 3.93Å; F708-A714 HydrophobicContact CD1-CB 4.16Å; F708-A714 HydrophobicContact CG-CB 4.33Å; E711-A714 VanDerWaalsContact O-CB 3.23Å; E711-A714 WeakPolarHBondContact O-CB 3.41Å; E711-A714 PolarHBondContact O-N 3.05Å; E711-A714 VanDerWaalsContact O-N 3.08Å; I712-A714 PolarHBondContact O-N 3.14Å; A714-L720 HydrophobicContact CB-CD2 4.24Å
715F90.5Very high87Confident1 Ų155 Ų550%0.00429%0.293CS..G310 helixtrans-76-24.8-178.2-62.9-51.6000113.5K618 A621 F622 F625 I653 V654 Y693 M696 I712 T713K618-F715 HydrophobicContact CB-CB 4.35Å; K618-F715 VanDerWaalsContact CD-O 3.29Å; K618-F715 WeakPolarHBondContact CD-O 3.2Å; K618-F715 WeakPolarHBondContact CG-O 3.31Å; K618-F715 PolarHBondContact NZ-O 3.33Å; K618-F715 WeakPolarHBondContact O-CB 3.3Å; A621-F715 HydrophobicContact CB-CD2 4.39Å; A621-F715 HydrophobicContact CB-CE2 4.29Å; A621-F715 HydrophobicContact CB-CZ 4.35Å; F622-F715 HydrophobicContact CB-CB 3.98Å; F622-F715 HydrophobicContact CB-CD2 4.32Å; F625-F715 AromaticContact CD2-CE2 3.6Å; F625-F715 HydrophobicContact CD2-CE2 3.6Å; F625-F715 HydrophobicContact CD2-CZ 4.11Å; F625-F715 HydrophobicContact CE2-CE2 4.04Å; F625-F715 HydrophobicContact CE2-CZ 4.07Å; I653-F715 HydrophobicContact CB-CE2 4.21Å; I653-F715 HydrophobicContact CB-CZ 4.16Å; I653-F715 HydrophobicContact CD1-CD2 4.32Å; I653-F715 HydrophobicContact CD1-CE2 3.61Å; I653-F715 HydrophobicContact CD1-CZ 4.01Å; I653-F715 HydrophobicContact CG1-CE2 3.98Å; I653-F715 HydrophobicContact CG1-CZ 3.9Å; V654-F715 HydrophobicContact CG2-CE1 4.3Å; Y693-F715 HydrophobicContact CD1-CE1 4.21Å; Y693-F715 HydrophobicContact CE1-CD1 4.01Å; Y693-F715 AromaticContact CE1-CE1 3.62Å; Y693-F715 HydrophobicContact CE1-CE1 3.62Å; M696-F715 HydrophobicContact SD-CD1 4.21Å; M696-F715 HydrophobicContact SD-CE1 4.37Å; I712-F715 WeakPolarHBondContact O-CD2 3.49Å; I712-F715 PolarHBondContact O-N 3.06Å; T713-F715 PolarHBondContact O-N 3.03Å; T713-F715 VanDerWaalsContact O-N 3.14Å
716I90.7Very high87.4Confident76 Ų7655.9 Ų55.939%0.3931%0.305SS..THydrogen-bonded Turntrans-106-5.9-177.358.3168000113.3F622 T713 C718F622-I716 HydrophobicContact CB-CG2 4.07Å; F622-I716 HydrophobicContact CD1-CG2 4.34Å; F622-I716 HydrophobicContact CD2-CD1 4.1Å; F622-I716 HydrophobicContact CD2-CG1 4.06Å; F622-I716 HydrophobicContact CD2-CG2 3.78Å; F622-I716 HydrophobicContact CE2-CD1 3.6Å; F622-I716 HydrophobicContact CE2-CG1 4.01Å; F622-I716 HydrophobicContact CE2-CG2 4.35Å; F622-I716 HydrophobicContact CG-CG2 3.79Å; F622-I716 HydrophobicContact CZ-CD1 3.98Å; T713-I716 WeakPolarHBondContact O-CG1 3.1Å; T713-I716 PolarHBondContact O-N 3.24Å; I716-C718 PolarHBondContact O-N 2.72Å
717D91.7Very high88.1Confident43 Ų4355.2 Ų55.223%0.2329%0.293CS..  trans-67.2124.7178.7-173.5-98.4000112.4F708 T713 E719 L720 E721F708-D717 HydrophobicContact CE1-CB 3.99Å; F708-D717 HydrophobicContact CZ-CB 3.83Å; T713-D717 PolarHBondContact O-N 2.77Å; D717-E719 PolarHBondContact OD1-N 3.13Å; D717-E719 VanDerWaalsContact OD1-N 3.09Å; D717-L720 HydrophobicContact CB-CB 4.11Å; D717-L720 VanDerWaalsContact OD1-CB 3.3Å; D717-L720 WeakPolarHBondContact OD1-CB 3.4Å; D717-L720 PolarHBondContact OD1-N 3.5Å; D717-E721 WeakPolarHBondContact O-CB 3.34Å; D717-E721 PolarHBondContact O-N 2.73Å
718C90.3Very high88.8Confident79 Ų7951.3 Ų51.353%0.53426%0.261SS..Hα-helixtrans-74.9-32.1-175.5-69.50000112.7I716 K722I716-C718 PolarHBondContact O-N 2.72Å; C718-K722 VanDerWaalsContact O-CG 3.29Å; C718-K722 WeakPolarHBondContact O-CG 3.44Å; C718-K722 PolarHBondContact O-N 2.85Å; C718-K722 VanDerWaalsContact O-N 3.07Å
719E91.5Very high89.3Confident105 Ų10552.5 Ų52.549%0.49127%0.274SS..Hα-helixtrans-77-41.6-177.2-67.9-55123.300111.3F705 D717 E721 K722 A723F705-E719 HydrophobicContact CE1-CB 4.35Å; D717-E719 PolarHBondContact OD1-N 3.13Å; D717-E719 VanDerWaalsContact OD1-N 3.09Å; E719-E721 VanDerWaalsContact C-N 3.33Å; E719-K722 PolarHBondContact O-N 3.34Å; E719-K722 IonicContact OE1-NZ 3.33Å; E719-K722 PolarHBondContact OE1-NZ 3.3Å; E719-A723 WeakPolarHBondContact O-CB 3.35Å; E719-A723 PolarHBondContact O-N 3.03Å
720L91.8Very high90Very high0 Ų050.6 Ų50.60%027%0.266CS..Hα-helixtrans-61-43170.8179.856.1000110.9M696 L699 I700 F705 A714 D717 K722 A723 V724M696-L720 HydrophobicContact CE-CD2 4.09Å; M696-L720 HydrophobicContact CE-CG 4.22Å; M696-L720 HydrophobicContact CG-CD1 4.45Å; M696-L720 HydrophobicContact CG-CD2 4.04Å; M696-L720 HydrophobicContact CG-CG 4.35Å; M696-L720 HydrophobicContact SD-CD2 4.46Å; L699-L720 HydrophobicContact CB-CD1 4.14Å; L699-L720 HydrophobicContact CD1-CD1 4.35Å; I700-L720 HydrophobicContact CD1-CD2 4.09Å; I700-L720 HydrophobicContact CG1-CD1 4.45Å; I700-L720 HydrophobicContact CG1-CD2 4.15Å; F705-L720 HydrophobicContact CB-CD1 4.18Å; F705-L720 HydrophobicContact CD1-CB 4.13Å; F705-L720 HydrophobicContact CD1-CD1 4.21Å; F705-L720 HydrophobicContact CD2-CD1 3.8Å; F705-L720 HydrophobicContact CE1-CB 4.11Å; F705-L720 HydrophobicContact CE2-CD1 4.17Å; F705-L720 HydrophobicContact CG-CD1 3.81Å; A714-L720 HydrophobicContact CB-CD2 4.24Å; D717-L720 HydrophobicContact CB-CB 4.11Å; D717-L720 VanDerWaalsContact OD1-CB 3.3Å; D717-L720 WeakPolarHBondContact OD1-CB 3.4Å; D717-L720 PolarHBondContact OD1-N 3.5Å; L720-K722 PolarHBondContact O-N 3.43Å; L720-A723 PolarHBondContact O-N 3.48Å; L720-V724 HydrophobicContact CD1-CG2 4.26Å; L720-V724 VanDerWaalsContact O-CG2 3.28Å; L720-V724 WeakPolarHBondContact O-CG2 3.43Å; L720-V724 PolarHBondContact O-N 3.34Å
721E92Very high90.7Very high36 Ų3652.9 Ų52.917%0.16827%0.272CS..Hα-helixtrans-59.2-47.7175.1179.8177.9173.400112.2K618 D717 E719 A723 V724 R725K618-E721 WeakPolarHBondContact CE-OE2 3.24Å; K618-E721 IonicContact NZ-OE2 3.22Å; K618-E721 PolarHBondContact NZ-OE2 3.23Å; D717-E721 WeakPolarHBondContact O-CB 3.34Å; D717-E721 PolarHBondContact O-N 2.73Å; E719-E721 VanDerWaalsContact C-N 3.33Å; E721-A723 VanDerWaalsContact C-N 3.3Å; E721-A723 PolarHBondContact O-N 3.32Å; E721-V724 PolarHBondContact O-N 3.01Å; E721-R725 WeakPolarHBondContact O-CG 3.28Å; E721-R725 PolarHBondContact O-N 3.27Å; E721-R725 IonicContact OE1-CZ 3.81Å; E721-R725 VanDerWaalsContact OE1-CZ 3.28Å; E721-R725 IonicContact OE1-NE 3.43Å; E721-R725 PolarHBondContact OE1-NE 2.93Å; E721-R725 IonicContact OE1-NH2 2.75Å; E721-R725 PolarHBondContact OE1-NH2 3.39Å
722K93.2Very high90.4Very high124 Ų12451.4 Ų51.454%0.53927%0.272SS..Hα-helixtrans-59.4-42.4176.3-73.4170.1-170.6167.90111.4C718 E719 L720 R725 S726C718-K722 VanDerWaalsContact O-CG 3.29Å; C718-K722 WeakPolarHBondContact O-CG 3.44Å; C718-K722 PolarHBondContact O-N 2.85Å; C718-K722 VanDerWaalsContact O-N 3.07Å; E719-K722 PolarHBondContact O-N 3.34Å; E719-K722 IonicContact OE1-NZ 3.33Å; E719-K722 PolarHBondContact OE1-NZ 3.3Å; L720-K722 PolarHBondContact O-N 3.43Å; K722-R725 PolarHBondContact O-N 3.01Å; K722-S726 WeakPolarHBondContact O-CB 3.23Å; K722-S726 PolarHBondContact O-N 3.3Å
723A93.6Very high89.6Confident26 Ų2655.8 Ų55.822%0.21530%0.296CS..Hα-helixtrans-62.7-44.6178.100000111.9L699 F705 E719 L720 E721 S726 E727L699-A723 HydrophobicContact CD1-CB 3.84Å; F705-A723 HydrophobicContact CE2-CB 3.79Å; F705-A723 HydrophobicContact CZ-CB 3.93Å; E719-A723 WeakPolarHBondContact O-CB 3.35Å; E719-A723 PolarHBondContact O-N 3.03Å; L720-A723 PolarHBondContact O-N 3.48Å; E721-A723 VanDerWaalsContact C-N 3.3Å; E721-A723 PolarHBondContact O-N 3.32Å; A723-S726 PolarHBondContact O-N 2.9Å; A723-E727 WeakPolarHBondContact O-CB 3.3Å; A723-E727 PolarHBondContact O-N 3.08Å
724V93.5Very high88.3Confident0 Ų059.4 Ų59.40%031%0.313CS..Hα-helixtrans-59.9-49.7175.5170.90000110.8C692 T695 M696 L699 L720 E721 S726 E727 I728C692-V724 HydrophobicContact CB-CG1 4.29Å; T695-V724 HydrophobicContact CG2-CG1 4.33Å; M696-V724 HydrophobicContact CB-CG2 3.79Å; M696-V724 HydrophobicContact CG-CG2 4.43Å; L699-V724 HydrophobicContact CD1-CB 4.45Å; L699-V724 HydrophobicContact CD1-CG2 3.74Å; L720-V724 HydrophobicContact CD1-CG2 4.26Å; L720-V724 VanDerWaalsContact O-CG2 3.28Å; L720-V724 WeakPolarHBondContact O-CG2 3.43Å; L720-V724 PolarHBondContact O-N 3.34Å; E721-V724 PolarHBondContact O-N 3.01Å; V724-S726 VanDerWaalsContact C-N 3.33Å; V724-S726 PolarHBondContact O-N 3.05Å; V724-E727 PolarHBondContact O-N 2.97Å; V724-I728 HydrophobicContact CG1-CD1 3.74Å; V724-I728 HydrophobicContact CG1-CG1 4.43Å; V724-I728 VanDerWaalsContact O-CG1 3.3Å; V724-I728 WeakPolarHBondContact O-CG1 3.32Å; V724-I728 PolarHBondContact O-N 3.42Å
725R93.3Very high86.6Confident95 Ų9567.1 Ų67.136%0.35835%0.349SS..Hα-helixtrans-62-39.9179.7-70.4179.7-176.2-82.72.6112.3E721 K722 S729E721-R725 WeakPolarHBondContact O-CG 3.28Å; E721-R725 PolarHBondContact O-N 3.27Å; E721-R725 IonicContact OE1-CZ 3.81Å; E721-R725 VanDerWaalsContact OE1-CZ 3.28Å; E721-R725 IonicContact OE1-NE 3.43Å; E721-R725 PolarHBondContact OE1-NE 2.93Å; E721-R725 IonicContact OE1-NH2 2.75Å; E721-R725 PolarHBondContact OE1-NH2 3.39Å; K722-R725 PolarHBondContact O-N 3.01Å; R725-S729 WeakPolarHBondContact O-CB 3.29Å; R725-S729 PolarHBondContact O-N 3.25Å
726S93.1Very high84.1Confident61 Ų6171.9 Ų71.943%0.42738%0.382SS..Hα-helixtrans-61.6-44.9175.6-1780000111.5K722 A723 V724 S729 K730K722-S726 WeakPolarHBondContact O-CB 3.23Å; K722-S726 PolarHBondContact O-N 3.3Å; A723-S726 PolarHBondContact O-N 2.9Å; V724-S726 VanDerWaalsContact C-N 3.33Å; V724-S726 PolarHBondContact O-N 3.05Å; S726-S729 WeakPolarHBondContact O-CB 3.28Å; S726-S729 PolarHBondContact O-N 2.93Å; S726-K730 WeakPolarHBondContact O-CG 3.4Å; S726-K730 PolarHBondContact O-N 3.07Å; S726-K730 VanDerWaalsContact O-N 3.13Å
727E93Very high81.2Confident61 Ų6173.9 Ų73.929%0.28540%0.398SS..Hα-helixtrans-69.9-38-178.6-16358.9-151.700112.5T695 A723 V724 K730 K731T695-E727 HydrophobicContact CG2-CB 3.76Å; T695-E727 HydrophobicContact CG2-CG 3.9Å; A723-E727 WeakPolarHBondContact O-CB 3.3Å; A723-E727 PolarHBondContact O-N 3.08Å; V724-E727 PolarHBondContact O-N 2.97Å; E727-K730 PolarHBondContact O-N 3.12Å; E727-K730 IonicContact OE2-NZ 2.73Å; E727-K730 PolarHBondContact OE2-NZ 3.16Å; E727-K731 WeakPolarHBondContact O-CG 3.43Å; E727-K731 PolarHBondContact O-N 3.33Å
728I92Very high78Confident4 Ų479.9 Ų79.92%0.02142%0.424CS..Hα-helixtrans-63.3-43.5172.8-66.2169.8000111Y688 L691 C692 T695 V724 K730 K731 C732Y688-I728 HydrophobicContact CE2-CG2 3.92Å; L691-I728 HydrophobicContact CD2-CG2 4.41Å; C692-I728 HydrophobicContact CB-CD1 4.02Å; C692-I728 WeakPolarHBondContact SG-CD1 3.46Å; T695-I728 HydrophobicContact CG2-CG1 4.38Å; V724-I728 HydrophobicContact CG1-CD1 3.74Å; V724-I728 HydrophobicContact CG1-CG1 4.43Å; V724-I728 VanDerWaalsContact O-CG1 3.3Å; V724-I728 WeakPolarHBondContact O-CG1 3.32Å; V724-I728 PolarHBondContact O-N 3.42Å; I728-K730 VanDerWaalsContact C-N 3.28Å; I728-K730 PolarHBondContact O-N 3.48Å; I728-K731 WeakPolarHBondContact O-CB 3.43Å; I728-K731 PolarHBondContact O-N 3.18Å; I728-K731 VanDerWaalsContact O-N 3.09Å; I728-C732 PolarHBondContact O-N 3.09Å; I728-C732 PolarHBondContact O-SG 2.84Å; I728-C732 VanDerWaalsContact O-SG 3.36Å
729S90.6Very high75Confident63 Ų6382 Ų8244%0.44144%0.437SS..Hα-helixtrans-57.3-41.7176.9-177.70000111.9R725 S726 C732 N733R725-S729 WeakPolarHBondContact O-CB 3.29Å; R725-S729 PolarHBondContact O-N 3.25Å; S726-S729 WeakPolarHBondContact O-CB 3.28Å; S726-S729 PolarHBondContact O-N 2.93Å; S729-C732 PolarHBondContact O-N 3.01Å; S729-N733 VanDerWaalsContact O-CG 3.28Å; S729-N733 PolarHBondContact O-N 3.12Å; S729-N733 PolarHBondContact O-ND2 3.41Å
730K88.3Confident72Confident103 Ų10386.4 Ų86.445%0.44846%0.455SS..Hα-helixtrans-63.4-44.5173.3-64.6174.7-158.3160.10112.4S726 E727 I728 C732 N733 N734S726-K730 WeakPolarHBondContact O-CG 3.4Å; S726-K730 PolarHBondContact O-N 3.07Å; S726-K730 VanDerWaalsContact O-N 3.13Å; E727-K730 PolarHBondContact O-N 3.12Å; E727-K730 IonicContact OE2-NZ 2.73Å; E727-K730 PolarHBondContact OE2-NZ 3.16Å; I728-K730 VanDerWaalsContact C-N 3.28Å; I728-K730 PolarHBondContact O-N 3.48Å; K730-C732 VanDerWaalsContact C-N 3.34Å; K730-C732 PolarHBondContact O-N 2.73Å; K730-N733 PolarHBondContact O-N 3.32Å; K730-N734 PolarHBondContact O-N 3.18Å; K730-N734 VanDerWaalsContact O-N 3.09Å
731K85.8Confident68.9Low58 Ų5892.8 Ų92.825%0.25249%0.494SS..Hα-helixtrans-60.2-43.7177.8-72.5177.2-178.3177.10111.3T695 Q698 E727 I728 N734 Q735T695-K731 PolarHBondContact OG1-NZ 2.74Å; Q698-K731 VanDerWaalsContact OE1-NZ 3.08Å; E727-K731 WeakPolarHBondContact O-CG 3.43Å; E727-K731 PolarHBondContact O-N 3.33Å; I728-K731 WeakPolarHBondContact O-CB 3.43Å; I728-K731 PolarHBondContact O-N 3.18Å; I728-K731 VanDerWaalsContact O-N 3.09Å; K731-N734 PolarHBondContact O-N 3.5Å; K731-Q735 PolarHBondContact O-N 3.2Å
732C77.1Confident66.1Low68 Ų6899.4 Ų99.446%0.45952%0.522SS..Hα-helixtrans-65.9-41.2177.6-66.70000112.6I728 S729 K730 N734 Q735I728-C732 PolarHBondContact O-N 3.09Å; I728-C732 PolarHBondContact O-SG 2.84Å; I728-C732 VanDerWaalsContact O-SG 3.36Å; S729-C732 PolarHBondContact O-N 3.01Å; K730-C732 VanDerWaalsContact C-N 3.34Å; K730-C732 PolarHBondContact O-N 2.73Å; C732-N734 VanDerWaalsContact C-N 3.32Å; C732-N734 PolarHBondContact O-N 3.38Å; C732-Q735 PolarHBondContact O-N 3.15Å
733N70.6Confident63.1Low109 Ų109101.1 Ų101.158%0.58353%0.532SS*.Hα-helixtrans-64.4-37.1177.9-72.8-16.6000112.1S729 K730 Q735 S736S729-N733 VanDerWaalsContact O-CG 3.28Å; S729-N733 PolarHBondContact O-N 3.12Å; S729-N733 PolarHBondContact O-ND2 3.41Å; K730-N733 PolarHBondContact O-N 3.32Å; N733-Q735 VanDerWaalsContact C-N 3.35Å; N733-Q735 PolarHBondContact O-N 3.11Å; N733-S736 PolarHBondContact O-OG 3Å
734N61.4Low60.2Low136 Ų136107.8 Ų107.873%0.72756%0.564SS**Hα-helixtrans-75.6-16.9-179.4-71.1-13.1000114.2K730 K731 C732K730-N734 PolarHBondContact O-N 3.18Å; K730-N734 VanDerWaalsContact O-N 3.09Å; K731-N734 PolarHBondContact O-N 3.5Å; C732-N734 VanDerWaalsContact C-N 3.32Å; C732-N734 PolarHBondContact O-N 3.38Å
735Q54.3Low57.2Low161 Ų161123.2 Ų123.275%0.75262%0.622SS**THydrogen-bonded Turntrans-91.13.5-179.5-76.2-177.2-11.700114.5K731 C732 N733 V737K731-Q735 PolarHBondContact O-N 3.2Å; C732-Q735 PolarHBondContact O-N 3.15Å; N733-Q735 VanDerWaalsContact C-N 3.35Å; N733-Q735 PolarHBondContact O-N 3.11Å; Q735-V737 PolarHBondContact O-N 3.38Å
736S37.7Very low55.4Low101 Ų101124.6 Ų124.671%0.70664%0.635SS**  trans-75.926.6-179.458.10000115.6N733N733-S736 PolarHBondContact O-OG 3Å
737V29.8Very low53.4Low119 Ų119127.9 Ų127.972%0.72165%0.646SS**SBendtrans-120.8102.1176.8-175.60000111.1Q735Q735-V737 PolarHBondContact O-N 3.38Å
738Q25.5Very low51.2Low168 Ų168131.7 Ų131.779%0.78567%0.667SS**  trans64.5117.3168.2-64.3-166.7-9.700119.1K740Q738-K740 PolarHBondContact O-N 3.2Å
739P27.8Very low48.8Very low123 Ų123139.2 Ų139.280%0.79971%0.705SS**  trans-73.7111.616730.6-29.2000109.1T741P739-T741 PolarHBondContact O-N 3.28Å; P739-T741 VanDerWaalsContact O-N 3.09Å
740K28.3Very low46.2Very low198 Ų198143.9 Ų143.986%0.86172%0.721SS**  trans-74.892.1162.8-78.9-176.4177.2177.10108.6Q738 K742Q738-K740 PolarHBondContact O-N 3.2Å; K740-K742 PolarHBondContact O-N 3.08Å
741T27Very low43.4Very low134 Ų134146.7 Ų146.782%0.82274%0.739SS**  trans-59.8108.7150.421.90000108.2P739P739-T741 PolarHBondContact O-N 3.28Å; P739-T741 VanDerWaalsContact O-N 3.09Å
742K32.8Very low40.4Very low175 Ų175153 Ų15376%0.76177%0.774SS**  trans-167.9107.9156.7-106175.2-175.2-166.80109K740K740-K742 PolarHBondContact O-N 3.08Å
743E29.3Very low37.6Very low160 Ų160159.5 Ų159.575%0.74880%0.798SS**  63.193116.8-70.4176155.700113.9
744N33.7Very low34.8Very low167 Ų167163.8 Ų163.889%0.89382%0.816SS**  -158.7142.6119-93.8-28.6000109.6
745R30.1Very low32.4Very low323 Ų323166.3 Ų166.3100%1.21982%0.824SS**  trans-46.30-175.9-72.3172.6171.8173.5-4.4115

Retrieved 745 of 745 residues in 152.9 ms (Link to these results)

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