A0A096NVJ1_PAPAN Loading...

Small nuclear RNA activating complex polypeptide 1

AlphaFold DB , UniProt , Accession A0A096NVJ1, Species PAPAN (Papio anubis, Olive baboon), Gene SNAPC1, Length 367 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
1M45.8Very low76.1Confident169 Ų16964.7 Ų64.783%0.83341%0.406SS*.  0-155.70-68.1-60.6-140.300107M53 E57M1-M53 HydrophobicContact CE-CE 4.26Å; M1-M53 HydrophobicContact CG-CE 3.79Å; M1-E57 PolarHBondContact N-OE1 3.36Å
2G55.7Low77.6Confident61 Ų6162.1 Ų62.163%0.62939%0.385SS*.PPolyproline II helixtrans-70.5159.5148.500000108.9
3T60.7Low79Confident58 Ų5860.2 Ų60.236%0.35638%0.379SS..PPolyproline II helixtrans-58.3140169.4-42.20000108.8Q8 L61T3-Q8 HydrophobicContact CG2-CB 4.1Å; T3-L61 HydrophobicContact CG2-CD2 4.09Å
4P63.5Low80.2Confident33 Ų3355.9 Ų55.921%0.21435%0.352CS..PPolyproline II helixtrans-53.8126.5171.9-25.332.5000110.7G6 L7 F54P4-G6 PolarHBondContact O-N 3.29Å; P4-L7 HydrophobicContact CB-CB 3.99Å; P4-L7 HydrophobicContact CB-CD2 4.45Å; P4-L7 HydrophobicContact CG-CB 4.4Å; P4-L7 HydrophobicContact CG-CD2 3.96Å; P4-L7 PolarHBondContact O-N 3.11Å; P4-L7 VanDerWaalsContact O-N 3.16Å; P4-F54 HydrophobicContact CB-CE2 4.39Å; P4-F54 HydrophobicContact CG-CD2 3.93Å; P4-F54 HydrophobicContact CG-CE2 4.19Å
5P63.4Low81.3Confident134 Ų13452.1 Ų52.187%0.8733%0.328SS*.THydrogen-bonded Turntrans-62.3133.7173.826.8-33.2000108.9
6G85.2Confident82.1Confident31 Ų3150.8 Ų50.832%0.3232%0.321SS..THydrogen-bonded Turntrans101.4-59.2-165.700000112.4P4 Q8 T9 D10P4-G6 PolarHBondContact O-N 3.29Å; G6-Q8 VanDerWaalsContact C-N 3.26Å; G6-Q8 PolarHBondContact O-N 3.42Å; G6-Q8 VanDerWaalsContact O-N 3.08Å; G6-T9 CarbonylContact O-C 3.53Å; G6-T9 WeakPolarHBondContact O-CA 3.4Å; G6-T9 WeakPolarHBondContact O-CB 3.29Å; G6-T9 PolarHBondContact O-N 2.89Å; G6-D10 PolarHBondContact O-N 3.25Å
7L89.8Confident82.9Confident5 Ų554.9 Ų54.93%0.02633%0.329CS..Hα-helixtrans-55.2-37.1-173.8176.263.1000113.8P4 C11 I41 F54 A58 L61P4-L7 HydrophobicContact CB-CB 3.99Å; P4-L7 HydrophobicContact CB-CD2 4.45Å; P4-L7 HydrophobicContact CG-CB 4.4Å; P4-L7 HydrophobicContact CG-CD2 3.96Å; P4-L7 PolarHBondContact O-N 3.11Å; P4-L7 VanDerWaalsContact O-N 3.16Å; L7-C11 WeakPolarHBondContact O-CB 3.45Å; L7-C11 PolarHBondContact O-N 3.37Å; L7-C11 PolarHBondContact O-SG 2.87Å; L7-C11 VanDerWaalsContact O-SG 3.33Å; L7-I41 HydrophobicContact CD1-CD1 3.56Å; L7-I41 HydrophobicContact CD1-CG1 4.37Å; L7-F54 HydrophobicContact CB-CE2 4.4Å; L7-F54 HydrophobicContact CD1-CE2 4.37Å; L7-F54 HydrophobicContact CD1-CZ 4.01Å; L7-F54 HydrophobicContact CD2-CD2 4.34Å; L7-F54 HydrophobicContact CD2-CE2 3.88Å; L7-F54 HydrophobicContact CD2-CZ 4.22Å; L7-F54 HydrophobicContact CG-CE2 4.44Å; L7-A58 HydrophobicContact CD1-CB 4.26Å; L7-A58 HydrophobicContact CD2-CB 3.96Å; L7-L61 HydrophobicContact CD2-CD2 4.44Å; L7-L61 HydrophobicContact CG-CD2 3.95Å
8Q91.6Very high83.6Confident54 Ų5451.9 Ų51.925%0.25231%0.311SS..Hα-helixtrans-67.2-48.3175-176.7167.3-22.700111.6T3 G6 D10 C11 E12 L61T3-Q8 HydrophobicContact CG2-CB 4.1Å; G6-Q8 VanDerWaalsContact C-N 3.26Å; G6-Q8 PolarHBondContact O-N 3.42Å; G6-Q8 VanDerWaalsContact O-N 3.08Å; Q8-D10 VanDerWaalsContact C-N 3.34Å; Q8-D10 PolarHBondContact O-N 3.13Å; Q8-C11 PolarHBondContact O-N 3.25Å; Q8-E12 VanDerWaalsContact CG-CD 3.46Å; Q8-E12 HydrophobicContact CG-CG 4.34Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.44Å; Q8-E12 WeakPolarHBondContact CG-OE2 3.31Å; Q8-E12 PolarHBondContact NE2-OE1 2.99Å; Q8-E12 WeakPolarHBondContact O-CB 3.42Å; Q8-E12 WeakPolarHBondContact O-CG 3.42Å; Q8-E12 PolarHBondContact O-N 3.25Å; Q8-L61 HydrophobicContact CB-CD2 4.34Å; Q8-L61 HydrophobicContact CG-CD1 4.29Å
9T92.5Very high84.1Confident92 Ų9252.2 Ų52.256%0.56431%0.309SS*.Hα-helixtrans-60.2-39.7177-45.10000112.5G6 E12 A13G6-T9 CarbonylContact O-C 3.53Å; G6-T9 WeakPolarHBondContact O-CA 3.4Å; G6-T9 WeakPolarHBondContact O-CB 3.29Å; G6-T9 PolarHBondContact O-N 2.89Å; T9-E12 PolarHBondContact O-N 3.31Å; T9-A13 WeakPolarHBondContact O-CB 3.12Å; T9-A13 PolarHBondContact O-N 3.39Å
10D94.1Very high84.6Confident75 Ų7556.7 Ų56.740%0.40133%0.326SS..Hα-helixtrans-65.6-45176.9-62.4-36.7000111.4G6 Q8 L14 F38G6-D10 PolarHBondContact O-N 3.25Å; Q8-D10 VanDerWaalsContact C-N 3.34Å; Q8-D10 PolarHBondContact O-N 3.13Å; D10-L14 WeakPolarHBondContact O-CB 3.48Å; D10-L14 PolarHBondContact O-N 3.39Å; D10-L14 VanDerWaalsContact O-N 3.11Å; D10-F38 HydrophobicContact CB-CE2 4.03Å
11C94.9Very high84.9Confident0 Ų056.7 Ų56.70%033%0.328CS..Hα-helixtrans-64.7-42.6175.7-74.60000112.1L7 Q8 L15 L61 L81L7-C11 WeakPolarHBondContact O-CB 3.45Å; L7-C11 PolarHBondContact O-N 3.37Å; L7-C11 PolarHBondContact O-SG 2.87Å; L7-C11 VanDerWaalsContact O-SG 3.33Å; Q8-C11 PolarHBondContact O-N 3.25Å; C11-L15 WeakPolarHBondContact O-CB 3.14Å; C11-L15 VanDerWaalsContact O-CG 3.28Å; C11-L15 WeakPolarHBondContact O-CG 3.26Å; C11-L15 PolarHBondContact O-N 3.11Å; C11-L15 VanDerWaalsContact O-N 3.12Å; C11-L61 HydrophobicContact CB-CD2 4.07Å; C11-L81 HydrophobicContact CB-CD2 4.16Å
12E94.4Very high86.8Confident33 Ų3355.9 Ų55.915%0.15433%0.327CS..Hα-helixtrans-67.5-47.7179-73.8167.2171.300110.3Q8 T9 L14 L15 S16 Y65 T158 F161Q8-E12 VanDerWaalsContact CG-CD 3.46Å; Q8-E12 HydrophobicContact CG-CG 4.34Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.44Å; Q8-E12 WeakPolarHBondContact CG-OE2 3.31Å; Q8-E12 PolarHBondContact NE2-OE1 2.99Å; Q8-E12 WeakPolarHBondContact O-CB 3.42Å; Q8-E12 WeakPolarHBondContact O-CG 3.42Å; Q8-E12 PolarHBondContact O-N 3.25Å; T9-E12 PolarHBondContact O-N 3.31Å; E12-L14 VanDerWaalsContact C-N 3.29Å; E12-L14 PolarHBondContact O-N 3.04Å; E12-L15 CarbonylContact O-C 3.29Å; E12-L15 WeakPolarHBondContact O-CA 3.43Å; E12-L15 PolarHBondContact O-N 2.64Å; E12-S16 PolarHBondContact O-N 3.25Å; E12-S16 PolarHBondContact O-OG 2.84Å; E12-S16 VanDerWaalsContact O-OG 3.11Å; E12-Y65 HydrophobicContact CG-CE1 4.2Å; E12-Y65 WeakPolarHBondContact CG-OH 3.45Å; E12-Y65 PolarHBondContact OE1-OH 3.32Å; E12-T158 HydrophobicContact CG-CG2 4.35Å; E12-T158 VanDerWaalsContact OE1-CG2 3.29Å; E12-T158 WeakPolarHBondContact OE1-CG2 3.26Å; E12-F161 HydrophobicContact CB-CE2 4.31Å; E12-F161 HydrophobicContact CB-CZ 4.14Å; E12-F161 HydrophobicContact CG-CE2 3.99Å; E12-F161 HydrophobicContact CG-CZ 4.31Å
13A95.1Very high88.5Confident37 Ų3754.4 Ų54.431%0.30631%0.307SS..Hα-helixtrans-60.4-33.4176.500000113.9T9 R17 M36T9-A13 WeakPolarHBondContact O-CB 3.12Å; T9-A13 PolarHBondContact O-N 3.39Å; A13-R17 WeakPolarHBondContact O-CB 3.48Å; A13-R17 WeakPolarHBondContact O-CD 3.41Å; A13-R17 VanDerWaalsContact O-CG 3.26Å; A13-R17 WeakPolarHBondContact O-CG 3.31Å; A13-R17 PolarHBondContact O-N 2.87Å; A13-M36 HydrophobicContact CB-CE 4.15Å
14L96.5Very high90.1Very high0 Ų052.9 Ų52.90%030%0.297CS..Hα-helixtrans-68.7-38.5172.5179.867.3000111.8D10 E12 F18 F29 L32 W33 M36 F38 L81D10-L14 WeakPolarHBondContact O-CB 3.48Å; D10-L14 PolarHBondContact O-N 3.39Å; D10-L14 VanDerWaalsContact O-N 3.11Å; E12-L14 VanDerWaalsContact C-N 3.29Å; E12-L14 PolarHBondContact O-N 3.04Å; L14-F18 WeakPolarHBondContact O-CB 3.35Å; L14-F18 PolarHBondContact O-N 3.45Å; L14-F18 VanDerWaalsContact O-N 3.08Å; L14-F29 HydrophobicContact CD2-CE2 4.13Å; L14-F29 HydrophobicContact CD2-CZ 3.83Å; L14-F29 HydrophobicContact CG-CE2 4.29Å; L14-F29 HydrophobicContact CG-CZ 4.47Å; L14-L32 HydrophobicContact CD1-CB 3.84Å; L14-W33 HydrophobicContact CD2-CE3 4.1Å; L14-M36 HydrophobicContact CB-CE 4.02Å; L14-M36 HydrophobicContact CB-SD 3.95Å; L14-M36 HydrophobicContact CD1-SD 3.64Å; L14-M36 HydrophobicContact CG-SD 4.42Å; L14-F38 HydrophobicContact CB-CD2 4.41Å; L14-F38 HydrophobicContact CB-CE2 4.25Å; L14-F38 HydrophobicContact CD2-CD1 4.35Å; L14-F38 HydrophobicContact CD2-CD2 3.85Å; L14-F38 HydrophobicContact CD2-CE1 4.42Å; L14-F38 HydrophobicContact CD2-CE2 3.94Å; L14-F38 HydrophobicContact CD2-CG 4.06Å; L14-F38 HydrophobicContact CD2-CZ 4.23Å; L14-L81 HydrophobicContact CD2-CD1 4.15Å
15L96.1Very high91.7Very high0 Ų056.9 Ų56.90%031%0.308CS..Hα-helixtrans-75.2-39.2179.8-71.7171.8000112.4C11 E12 F18 Q19 Y65 I74 L81 F161C11-L15 WeakPolarHBondContact O-CB 3.14Å; C11-L15 VanDerWaalsContact O-CG 3.28Å; C11-L15 WeakPolarHBondContact O-CG 3.26Å; C11-L15 PolarHBondContact O-N 3.11Å; C11-L15 VanDerWaalsContact O-N 3.12Å; E12-L15 CarbonylContact O-C 3.29Å; E12-L15 WeakPolarHBondContact O-CA 3.43Å; E12-L15 PolarHBondContact O-N 2.64Å; L15-F18 PolarHBondContact O-N 2.99Å; L15-Q19 PolarHBondContact O-N 3.29Å; L15-Y65 HydrophobicContact CD1-CD1 4.27Å; L15-Y65 HydrophobicContact CD1-CD2 3.78Å; L15-Y65 HydrophobicContact CD1-CE2 4.41Å; L15-Y65 HydrophobicContact CD1-CG 3.71Å; L15-I74 HydrophobicContact CB-CD1 3.84Å; L15-L81 HydrophobicContact CD1-CD2 4.28Å; L15-F161 HydrophobicContact CB-CE2 3.86Å; L15-F161 HydrophobicContact CB-CZ 3.77Å; L15-F161 HydrophobicContact CD1-CE2 4.1Å
16S94.8Very high93.2Very high31 Ų3153.2 Ų53.222%0.21728%0.279CS..Hα-helixtrans-59.1-49.4171.9-53.20000110.8E12 F18 Q19 E20 F161E12-S16 PolarHBondContact O-N 3.25Å; E12-S16 PolarHBondContact O-OG 2.84Å; E12-S16 VanDerWaalsContact O-OG 3.11Å; S16-F18 PolarHBondContact O-N 3.06Å; S16-Q19 WeakPolarHBondContact O-CA 3.28Å; S16-Q19 VanDerWaalsContact O-CB 3.32Å; S16-Q19 WeakPolarHBondContact O-CB 3.43Å; S16-Q19 PolarHBondContact O-N 3.02Å; S16-E20 VanDerWaalsContact O-CG 3.32Å; S16-E20 WeakPolarHBondContact O-CG 3.36Å; S16-E20 PolarHBondContact O-N 3.13Å; S16-F161 WeakPolarHBondContact OG-CE1 3.25Å
17R95.9Very high93.7Very high121 Ų12158.6 Ų58.646%0.45730%0.296SS..Hα-helixtrans-62.5-30.8176.2-73.1174178.7-164.3-1.8113.4A13 T21 L32A13-R17 WeakPolarHBondContact O-CB 3.48Å; A13-R17 WeakPolarHBondContact O-CD 3.41Å; A13-R17 VanDerWaalsContact O-CG 3.26Å; A13-R17 WeakPolarHBondContact O-CG 3.31Å; A13-R17 PolarHBondContact O-N 2.87Å; R17-T21 WeakPolarHBondContact O-CG2 3.22Å; R17-L32 HydrophobicContact CB-CD1 4.11Å; R17-L32 HydrophobicContact CB-CD2 4.09Å; R17-L32 WeakPolarHBondContact O-CD1 3.44Å
18F95.6Very high94Very high0 Ų059.2 Ų59.20%030%0.301CS..Hα-helixtrans-72.3-39.4173.9-176-117.4000111.3L14 L15 S16 T21 S23 F29 L32 Q73 V76 Y80L14-F18 WeakPolarHBondContact O-CB 3.35Å; L14-F18 PolarHBondContact O-N 3.45Å; L14-F18 VanDerWaalsContact O-N 3.08Å; L15-F18 PolarHBondContact O-N 2.99Å; S16-F18 PolarHBondContact O-N 3.06Å; F18-T21 PolarHBondContact O-N 3.15Å; F18-T21 PolarHBondContact O-OG1 3.46Å; F18-S23 WeakPolarHBondContact CE2-O 3.45Å; F18-S23 VanDerWaalsContact CZ-O 3.27Å; F18-S23 WeakPolarHBondContact CZ-O 3.37Å; F18-F29 HydrophobicContact CB-CD2 4.48Å; F18-F29 HydrophobicContact CD1-CD2 4.33Å; F18-F29 HydrophobicContact CD2-CB 3.97Å; F18-F29 AromaticContact CD2-CD2 3.96Å; F18-F29 HydrophobicContact CD2-CD2 3.96Å; F18-F29 HydrophobicContact CD2-CG 4.48Å; F18-F29 HydrophobicContact CE2-CB 3.68Å; F18-F29 HydrophobicContact CE2-CD2 4.25Å; F18-F29 HydrophobicContact CE2-CG 4.49Å; F18-F29 AromaticContact CG-CD2 4Å; F18-F29 HydrophobicContact CG-CD2 4Å; F18-F29 HydrophobicContact CZ-CB 4.3Å; F18-L32 VanDerWaalsContact CA-CD1 3.46Å; F18-L32 HydrophobicContact CB-CD1 3.87Å; F18-L32 HydrophobicContact CD2-CD1 4.16Å; F18-Q73 HydrophobicContact CD1-CG 4.33Å; F18-Q73 HydrophobicContact CE1-CG 4.12Å; F18-Q73 WeakPolarHBondContact CE1-O 3.31Å; F18-Q73 PolarHBondContact O-NE2 2.97Å; F18-Q73 VanDerWaalsContact O-NE2 3.09Å; F18-V76 HydrophobicContact CE1-CG1 4.31Å; F18-V76 HydrophobicContact CZ-CG1 4.38Å; F18-Y80 HydrophobicContact CE1-CD2 4.46Å; F18-Y80 HydrophobicContact CZ-CD2 4.05Å; F18-Y80 AromaticContact CZ-CE2 3.85Å; F18-Y80 HydrophobicContact CZ-CE2 3.85Å
19Q92.8Very high94.3Very high57 Ų5756.7 Ų56.727%0.26629%0.289SS..Hα-helixtrans-58.1-46.8171.8-169.8172.1-17.300111L15 S16 T21 D22 Q73 I74L15-Q19 PolarHBondContact O-N 3.29Å; S16-Q19 WeakPolarHBondContact O-CA 3.28Å; S16-Q19 VanDerWaalsContact O-CB 3.32Å; S16-Q19 WeakPolarHBondContact O-CB 3.43Å; S16-Q19 PolarHBondContact O-N 3.02Å; Q19-T21 PolarHBondContact O-N 3.03Å; Q19-D22 PolarHBondContact O-N 2.74Å; Q19-Q73 PolarHBondContact O-NE2 3.11Å; Q19-Q73 VanDerWaalsContact O-NE2 3.09Å; Q19-I74 HydrophobicContact CB-CD1 4.23Å
20E93Very high94.5Very high142 Ų14253.7 Ų53.766%0.66427%0.271SS*.THydrogen-bonded Turntrans-57.6-15.5175.7-69.9159.5-157.700115.1S16 D22S16-E20 VanDerWaalsContact O-CG 3.32Å; S16-E20 WeakPolarHBondContact O-CG 3.36Å; S16-E20 PolarHBondContact O-N 3.13Å; E20-D22 VanDerWaalsContact C-N 3.35Å
21T91.8Very high94.7Very high57 Ų5754.7 Ų54.735%0.3527%0.273SS..THydrogen-bonded Turntrans-82.7-9.2175.565.50000114.3R17 F18 Q19 S23 L32R17-T21 WeakPolarHBondContact O-CG2 3.22Å; F18-T21 PolarHBondContact O-N 3.15Å; F18-T21 PolarHBondContact O-OG1 3.46Å; Q19-T21 PolarHBondContact O-N 3.03Å; T21-S23 PolarHBondContact O-N 3.3Å; T21-S23 WeakPolarHBondContact OG1-CB 3.29Å; T21-S23 PolarHBondContact OG1-N 3.37Å; T21-L32 HydrophobicContact CG2-CD1 4.08Å
22D86.3Confident94.8Very high152 Ų15255.9 Ų55.981%0.81328%0.28SS*.THydrogen-bonded Turntrans48.916.3-166.7-75.5-38.6000114.5Q19 E20Q19-D22 PolarHBondContact O-N 2.74Å; E20-D22 VanDerWaalsContact C-N 3.35Å
23S90.9Very high94.9Very high30 Ų3056 Ų5621%0.2128%0.278CS..  trans-108.7147.1-177.9-172.20000111.6F18 T21 R25 Q73F18-S23 WeakPolarHBondContact CE2-O 3.45Å; F18-S23 VanDerWaalsContact CZ-O 3.27Å; F18-S23 WeakPolarHBondContact CZ-O 3.37Å; T21-S23 PolarHBondContact O-N 3.3Å; T21-S23 WeakPolarHBondContact OG1-CB 3.29Å; T21-S23 PolarHBondContact OG1-N 3.37Å; S23-R25 PolarHBondContact OG-N 3.39Å; S23-Q73 PolarHBondContact O-NE2 2.92Å
24V93.9Very high95Very high27 Ų2760.7 Ų60.716%0.16429%0.288CS..  trans-108.22.7170.7-66.60000112.2F72 Q73 V76 Y80V24-F72 HydrophobicContact CG1-CD1 4.28Å; V24-F72 HydrophobicContact CG1-CE1 4.35Å; V24-Q73 HydrophobicContact CG1-CB 4.19Å; V24-Q73 HydrophobicContact CG1-CG 4.04Å; V24-V76 HydrophobicContact CB-CG1 4.25Å; V24-V76 WeakPolarHBondContact O-CG1 3.38Å; V24-Y80 WeakPolarHBondContact O-CE2 3.23Å; V24-Y80 PolarHBondContact O-OH 2.85Å
25R96.3Very high95.1Very high116 Ų11666.5 Ų66.544%0.43832%0.319SS..  trans-77.8141-172.9-58.4-60-69.2171.9-16.2112.1S23 E27 F29 D121S23-R25 PolarHBondContact OG-N 3.39Å; R25-E27 PolarHBondContact O-N 2.94Å; R25-F29 PolarHBondContact O-N 3.29Å; R25-D121 WeakPolarHBondContact CA-OD2 3.48Å; R25-D121 IonicContact CZ-OD1 3.81Å; R25-D121 IonicContact CZ-OD2 3.03Å; R25-D121 IonicContact NE-OD2 3.24Å; R25-D121 IonicContact NH1-OD1 3.73Å; R25-D121 PolarHBondContact NH1-OD1 2.94Å; R25-D121 IonicContact NH1-OD2 3.41Å; R25-D121 PolarHBondContact NH1-OD2 3.43Å
26F96Very high95Very high57 Ų5768.9 Ų68.925%0.2533%0.331CS..Hα-helixtrans-61.4-33.3178.6-178.1-121.6000112.4F29 T30 Y80 Y83 D121 I125F26-F29 HydrophobicContact CE2-CD1 4.38Å; F26-F29 WeakPolarHBondContact O-CB 3.14Å; F26-F29 PolarHBondContact O-N 2.8Å; F26-T30 HydrophobicContact CD1-CG2 3.93Å; F26-T30 HydrophobicContact CD2-CG2 4.06Å; F26-T30 HydrophobicContact CE1-CG2 3.49Å; F26-T30 VanDerWaalsContact CE1-CG2 3.49Å; F26-T30 HydrophobicContact CE2-CG2 3.64Å; F26-T30 HydrophobicContact CG-CG2 4.21Å; F26-T30 HydrophobicContact CZ-CG2 3.33Å; F26-T30 WeakPolarHBondContact O-CG2 3.4Å; F26-T30 PolarHBondContact O-N 3.2Å; F26-Y80 HydrophobicContact CB-CE1 3.93Å; F26-Y80 HydrophobicContact CB-CE2 4.24Å; F26-Y80 AromaticContact CD2-CD1 3.57Å; F26-Y80 HydrophobicContact CD2-CD1 3.57Å; F26-Y80 HydrophobicContact CD2-CD2 4.17Å; F26-Y80 AromaticContact CD2-CE1 3.84Å; F26-Y80 HydrophobicContact CD2-CE1 3.84Å; F26-Y80 HydrophobicContact CD2-CE2 4.4Å; F26-Y80 AromaticContact CD2-CG 3.76Å; F26-Y80 HydrophobicContact CD2-CG 3.76Å; F26-Y80 HydrophobicContact CE2-CD1 4.25Å; F26-Y80 HydrophobicContact CE2-CG 4.36Å; F26-Y80 HydrophobicContact CG-CD1 4.43Å; F26-Y80 HydrophobicContact CG-CE1 4.27Å; F26-Y80 PolarHBondContact N-OH 3.11Å; F26-Y83 HydrophobicContact CE2-CD1 4.19Å; F26-Y83 HydrophobicContact CE2-CE1 4.5Å; F26-Y83 HydrophobicContact CZ-CD1 4.06Å; F26-Y83 AromaticContact CZ-CE1 3.92Å; F26-Y83 HydrophobicContact CZ-CE1 3.92Å; F26-D121 HydrophobicContact CB-CB 4.2Å; F26-D121 PolarHBondContact N-OD2 3.45Å; F26-I125 HydrophobicContact CB-CD1 4.16Å; F26-I125 HydrophobicContact CD1-CD1 3.87Å; F26-I125 HydrophobicContact CD2-CD1 3.34Å; F26-I125 HydrophobicContact CE1-CD1 4.05Å; F26-I125 HydrophobicContact CE2-CD1 3.55Å; F26-I125 HydrophobicContact CG-CD1 3.51Å; F26-I125 HydrophobicContact CZ-CD1 3.9Å
27E96.4Very high95Very high145 Ų14574.6 Ų74.668%0.67835%0.352SS*.Hα-helixtrans-54.2-58.2178.1-176.5164.2-147.500112.6R25 F29 T30 E31R25-E27 PolarHBondContact O-N 2.94Å; E27-F29 VanDerWaalsContact C-N 3.3Å; E27-F29 PolarHBondContact O-N 2.81Å; E27-T30 WeakPolarHBondContact O-CA 3.48Å; E27-T30 PolarHBondContact O-N 3.29Å; E27-T30 PolarHBondContact O-OG1 3.2Å; E27-E31 PolarHBondContact O-N 3.07Å
28A96.1Very high95Very high17 Ų1769.3 Ų69.314%0.1433%0.332CS..Hα-helixtrans-57.8-39.1176.200000112.5T30 E31 L32A28-T30 VanDerWaalsContact C-N 3.35Å; A28-T30 PolarHBondContact O-N 3.03Å; A28-E31 PolarHBondContact O-N 3.46Å; A28-L32 PolarHBondContact O-N 2.83Å; A28-L32 VanDerWaalsContact O-N 3.16Å
29F97.4Very high94.8Very high2 Ų270.6 Ų70.61%0.00935%0.346CS..Hα-helixtrans-62-41.4172.9-175.7-87.6000112.1L14 F18 R25 F26 E27 E31 L32 W33 G77 Y80 L81L14-F29 HydrophobicContact CD2-CE2 4.13Å; L14-F29 HydrophobicContact CD2-CZ 3.83Å; L14-F29 HydrophobicContact CG-CE2 4.29Å; L14-F29 HydrophobicContact CG-CZ 4.47Å; F18-F29 HydrophobicContact CB-CD2 4.48Å; F18-F29 HydrophobicContact CD1-CD2 4.33Å; F18-F29 HydrophobicContact CD2-CB 3.97Å; F18-F29 AromaticContact CD2-CD2 3.96Å; F18-F29 HydrophobicContact CD2-CD2 3.96Å; F18-F29 HydrophobicContact CD2-CG 4.48Å; F18-F29 HydrophobicContact CE2-CB 3.68Å; F18-F29 HydrophobicContact CE2-CD2 4.25Å; F18-F29 HydrophobicContact CE2-CG 4.49Å; F18-F29 AromaticContact CG-CD2 4Å; F18-F29 HydrophobicContact CG-CD2 4Å; F18-F29 HydrophobicContact CZ-CB 4.3Å; R25-F29 PolarHBondContact O-N 3.29Å; F26-F29 HydrophobicContact CE2-CD1 4.38Å; F26-F29 WeakPolarHBondContact O-CB 3.14Å; F26-F29 PolarHBondContact O-N 2.8Å; E27-F29 VanDerWaalsContact C-N 3.3Å; E27-F29 PolarHBondContact O-N 2.81Å; F29-E31 VanDerWaalsContact C-N 3.31Å; F29-E31 PolarHBondContact O-N 3.27Å; F29-L32 PolarHBondContact O-N 2.8Å; F29-W33 HydrophobicContact CE1-CB 4.45Å; F29-W33 HydrophobicContact CE1-CD2 4.49Å; F29-W33 AromaticContact CE1-CE3 3.75Å; F29-W33 HydrophobicContact CE1-CE3 3.75Å; F29-W33 HydrophobicContact CE1-CZ3 4.45Å; F29-W33 HydrophobicContact CZ-CE3 4.06Å; F29-W33 WeakPolarHBondContact O-CB 3.41Å; F29-W33 PolarHBondContact O-N 3.45Å; F29-G77 WeakPolarHBondContact CE2-O 3.37Å; F29-Y80 HydrophobicContact CB-CD2 3.57Å; F29-Y80 HydrophobicContact CB-CE2 4.17Å; F29-Y80 HydrophobicContact CB-CG 4.35Å; F29-Y80 VanDerWaalsContact CD1-CB 3.42Å; F29-Y80 HydrophobicContact CD1-CD2 4.19Å; F29-Y80 HydrophobicContact CD1-CG 4.17Å; F29-Y80 AromaticContact CD2-CD2 3.89Å; F29-Y80 HydrophobicContact CD2-CD2 3.89Å; F29-Y80 HydrophobicContact CD2-CG 4.41Å; F29-Y80 VanDerWaalsContact CE1-CB 3.48Å; F29-Y80 AromaticContact CG-CD2 3.6Å; F29-Y80 HydrophobicContact CG-CD2 3.6Å; F29-Y80 HydrophobicContact CG-CG 4.04Å; F29-L81 HydrophobicContact CZ-CB 4.04Å
30T96.8Very high94.8Very high28 Ų2872.1 Ų72.117%0.17236%0.359CS..Hα-helixtrans-68.6-28.6177.9680000113F26 E27 A28 R34F26-T30 HydrophobicContact CD1-CG2 3.93Å; F26-T30 HydrophobicContact CD2-CG2 4.06Å; F26-T30 HydrophobicContact CE1-CG2 3.49Å; F26-T30 VanDerWaalsContact CE1-CG2 3.49Å; F26-T30 HydrophobicContact CE2-CG2 3.64Å; F26-T30 HydrophobicContact CG-CG2 4.21Å; F26-T30 HydrophobicContact CZ-CG2 3.33Å; F26-T30 WeakPolarHBondContact O-CG2 3.4Å; F26-T30 PolarHBondContact O-N 3.2Å; E27-T30 WeakPolarHBondContact O-CA 3.48Å; E27-T30 PolarHBondContact O-N 3.29Å; E27-T30 PolarHBondContact O-OG1 3.2Å; A28-T30 VanDerWaalsContact C-N 3.35Å; A28-T30 PolarHBondContact O-N 3.03Å; T30-R34 WeakPolarHBondContact O-CB 3.4Å; T30-R34 VanDerWaalsContact O-CG 3.27Å; T30-R34 WeakPolarHBondContact O-CG 3.14Å; T30-R34 PolarHBondContact O-N 2.88Å; T30-R34 PolarHBondContact O-NH1 2.94Å; T30-R34 PolarHBondContact OG1-NH1 3.49Å
31E97.3Very high94.7Very high96 Ų9666.8 Ų66.845%0.44934%0.335SS..Hα-helixtrans-64.3-52.1171.3-72.3-176.8157.600111.1E27 A28 F29 W33 R34 N35E27-E31 PolarHBondContact O-N 3.07Å; A28-E31 PolarHBondContact O-N 3.46Å; F29-E31 VanDerWaalsContact C-N 3.31Å; F29-E31 PolarHBondContact O-N 3.27Å; E31-W33 VanDerWaalsContact C-N 3.3Å; E31-W33 PolarHBondContact O-N 2.9Å; E31-R34 PolarHBondContact O-N 2.75Å; E31-R34 VanDerWaalsContact O-N 3.11Å; E31-N35 WeakPolarHBondContact O-CB 3.33Å; E31-N35 PolarHBondContact O-N 3.34Å; E31-N35 PolarHBondContact O-ND2 2.86Å; E31-N35 PolarHBondContact O-OD1 2.97Å
32L97.3Very high94.7Very high26 Ų2664.4 Ų64.414%0.13632%0.32CS..Hα-helixtrans-58.1-42.3175.7-65.4174.9000112L14 R17 F18 T21 A28 F29 R34 N35 M36L14-L32 HydrophobicContact CD1-CB 3.84Å; R17-L32 HydrophobicContact CB-CD1 4.11Å; R17-L32 HydrophobicContact CB-CD2 4.09Å; R17-L32 WeakPolarHBondContact O-CD1 3.44Å; F18-L32 VanDerWaalsContact CA-CD1 3.46Å; F18-L32 HydrophobicContact CB-CD1 3.87Å; F18-L32 HydrophobicContact CD2-CD1 4.16Å; T21-L32 HydrophobicContact CG2-CD1 4.08Å; A28-L32 PolarHBondContact O-N 2.83Å; A28-L32 VanDerWaalsContact O-N 3.16Å; F29-L32 PolarHBondContact O-N 2.8Å; L32-R34 PolarHBondContact O-N 3.28Å; L32-N35 PolarHBondContact O-N 2.86Å; L32-M36 WeakPolarHBondContact O-CB 3.43Å; L32-M36 WeakPolarHBondContact O-CG 3.46Å; L32-M36 PolarHBondContact O-N 3.03Å
33W97.3Very high94.7Very high34 Ų3461.3 Ų61.313%0.12931%0.309CS..Hα-helixtrans-59.6-42.3174.7-179.4-79.8000112.9L14 F29 E31 K37 F38 L81 G84 T88L14-W33 HydrophobicContact CD2-CE3 4.1Å; F29-W33 HydrophobicContact CE1-CB 4.45Å; F29-W33 HydrophobicContact CE1-CD2 4.49Å; F29-W33 AromaticContact CE1-CE3 3.75Å; F29-W33 HydrophobicContact CE1-CE3 3.75Å; F29-W33 HydrophobicContact CE1-CZ3 4.45Å; F29-W33 HydrophobicContact CZ-CE3 4.06Å; F29-W33 WeakPolarHBondContact O-CB 3.41Å; F29-W33 PolarHBondContact O-N 3.45Å; E31-W33 VanDerWaalsContact C-N 3.3Å; E31-W33 PolarHBondContact O-N 2.9Å; W33-K37 PolarHBondContact O-N 3.13Å; W33-F38 HydrophobicContact CD2-CB 3.87Å; W33-F38 HydrophobicContact CD2-CD1 4.28Å; W33-F38 HydrophobicContact CD2-CG 4.44Å; W33-F38 HydrophobicContact CE3-CB 4.01Å; W33-F38 AromaticContact CE3-CD1 3.73Å; W33-F38 HydrophobicContact CE3-CD1 3.73Å; W33-F38 HydrophobicContact CE3-CG 4.1Å; W33-F38 HydrophobicContact CG-CB 4.2Å; W33-F38 AromaticContact CH2-CD1 3.5Å; W33-F38 HydrophobicContact CH2-CD1 3.5Å; W33-F38 VanDerWaalsContact CH2-CD1 3.5Å; W33-F38 HydrophobicContact CH2-CE1 4.08Å; W33-F38 HydrophobicContact CZ2-CD1 4.08Å; W33-F38 HydrophobicContact CZ3-CB 4.43Å; W33-F38 AromaticContact CZ3-CD1 3.32Å; W33-F38 HydrophobicContact CZ3-CD1 3.32Å; W33-F38 AromaticContact CZ3-CE1 3.83Å; W33-F38 HydrophobicContact CZ3-CE1 3.83Å; W33-F38 HydrophobicContact CZ3-CG 4.15Å; W33-F38 PolarHBondContact O-N 3.43Å; W33-L81 HydrophobicContact CZ3-CD1 3.99Å; W33-G84 VanDerWaalsContact CH2-C 3.44Å; W33-G84 VanDerWaalsContact CH2-CA 3.46Å; W33-T88 HydrophobicContact CZ2-CG2 3.9Å
34R97.4Very high94.3Very high137 Ų13761.7 Ų61.752%0.51732%0.317SS..Hα-helixtrans-67.9-47175-75.1-174.9-62-92.79.2111.3T30 E31 L32 M36 K37T30-R34 WeakPolarHBondContact O-CB 3.4Å; T30-R34 VanDerWaalsContact O-CG 3.27Å; T30-R34 WeakPolarHBondContact O-CG 3.14Å; T30-R34 PolarHBondContact O-N 2.88Å; T30-R34 PolarHBondContact O-NH1 2.94Å; T30-R34 PolarHBondContact OG1-NH1 3.49Å; E31-R34 PolarHBondContact O-N 2.75Å; E31-R34 VanDerWaalsContact O-N 3.11Å; L32-R34 PolarHBondContact O-N 3.28Å; R34-M36 PolarHBondContact O-N 2.85Å; R34-K37 WeakPolarHBondContact O-CA 3.38Å; R34-K37 PolarHBondContact O-N 3.4Å
35N97Very high93.6Very high121 Ų12173 Ų7365%0.64736%0.357SS*.Hα-helixtrans-65.5-40.4-175.9-67-13.5000112E31 L32 K37E31-N35 WeakPolarHBondContact O-CB 3.33Å; E31-N35 PolarHBondContact O-N 3.34Å; E31-N35 PolarHBondContact O-ND2 2.86Å; E31-N35 PolarHBondContact O-OD1 2.97Å; L32-N35 PolarHBondContact O-N 2.86Å; N35-K37 PolarHBondContact O-N 2.88Å
36M95.4Very high93.1Very high50 Ų5070 Ų7025%0.24635%0.349CS..THydrogen-bonded Turntrans-78.8-0.1171.7-67-179.563.900113.5A13 L14 L32 R34 F38A13-M36 HydrophobicContact CB-CE 4.15Å; L14-M36 HydrophobicContact CB-CE 4.02Å; L14-M36 HydrophobicContact CB-SD 3.95Å; L14-M36 HydrophobicContact CD1-SD 3.64Å; L14-M36 HydrophobicContact CG-SD 4.42Å; L32-M36 WeakPolarHBondContact O-CB 3.43Å; L32-M36 WeakPolarHBondContact O-CG 3.46Å; L32-M36 PolarHBondContact O-N 3.03Å; R34-M36 PolarHBondContact O-N 2.85Å; M36-F38 PolarHBondContact O-N 3.34Å; M36-F38 VanDerWaalsContact O-N 3.1Å
37K95.1Very high92.8Very high151 Ų15176.2 Ų76.266%0.65737%0.371SS*.THydrogen-bonded Turntrans52.428.4-175.8-59.7176-178173.20113.2W33 R34 N35 G39 T40W33-K37 PolarHBondContact O-N 3.13Å; R34-K37 WeakPolarHBondContact O-CA 3.38Å; R34-K37 PolarHBondContact O-N 3.4Å; N35-K37 PolarHBondContact O-N 2.88Å; K37-G39 PolarHBondContact O-N 3.32Å; K37-T40 PolarHBondContact O-N 2.81Å; K37-T40 PolarHBondContact O-OG1 3.17Å
38F94.9Very high92.4Very high10 Ų1074.9 Ų74.94%0.04437%0.368CS..G310 helixtrans-61.1-21.7-167-155.8-82.1000113.2D10 L14 W33 M36 T40 I41 L81 L85D10-F38 HydrophobicContact CB-CE2 4.03Å; L14-F38 HydrophobicContact CB-CD2 4.41Å; L14-F38 HydrophobicContact CB-CE2 4.25Å; L14-F38 HydrophobicContact CD2-CD1 4.35Å; L14-F38 HydrophobicContact CD2-CD2 3.85Å; L14-F38 HydrophobicContact CD2-CE1 4.42Å; L14-F38 HydrophobicContact CD2-CE2 3.94Å; L14-F38 HydrophobicContact CD2-CG 4.06Å; L14-F38 HydrophobicContact CD2-CZ 4.23Å; W33-F38 HydrophobicContact CD2-CB 3.87Å; W33-F38 HydrophobicContact CD2-CD1 4.28Å; W33-F38 HydrophobicContact CD2-CG 4.44Å; W33-F38 HydrophobicContact CE3-CB 4.01Å; W33-F38 AromaticContact CE3-CD1 3.73Å; W33-F38 HydrophobicContact CE3-CD1 3.73Å; W33-F38 HydrophobicContact CE3-CG 4.1Å; W33-F38 HydrophobicContact CG-CB 4.2Å; W33-F38 AromaticContact CH2-CD1 3.5Å; W33-F38 HydrophobicContact CH2-CD1 3.5Å; W33-F38 VanDerWaalsContact CH2-CD1 3.5Å; W33-F38 HydrophobicContact CH2-CE1 4.08Å; W33-F38 HydrophobicContact CZ2-CD1 4.08Å; W33-F38 HydrophobicContact CZ3-CB 4.43Å; W33-F38 AromaticContact CZ3-CD1 3.32Å; W33-F38 HydrophobicContact CZ3-CD1 3.32Å; W33-F38 AromaticContact CZ3-CE1 3.83Å; W33-F38 HydrophobicContact CZ3-CE1 3.83Å; W33-F38 HydrophobicContact CZ3-CG 4.15Å; W33-F38 PolarHBondContact O-N 3.43Å; M36-F38 PolarHBondContact O-N 3.34Å; M36-F38 VanDerWaalsContact O-N 3.1Å; F38-T40 PolarHBondContact O-N 3.41Å; F38-I41 HydrophobicContact CD1-CD1 4.24Å; F38-I41 HydrophobicContact CD1-CG2 4.46Å; F38-I41 HydrophobicContact CE1-CD1 3.58Å; F38-I41 HydrophobicContact CE1-CG2 4.46Å; F38-I41 HydrophobicContact CE2-CD1 4.15Å; F38-I41 HydrophobicContact CZ-CD1 3.53Å; F38-I41 VanDerWaalsContact O-CB 3.29Å; F38-I41 WeakPolarHBondContact O-CB 3.48Å; F38-I41 VanDerWaalsContact O-CG2 3.28Å; F38-I41 WeakPolarHBondContact O-CG2 3.27Å; F38-I41 PolarHBondContact O-N 3.26Å; F38-L81 HydrophobicContact CD1-CD1 4.44Å; F38-L81 HydrophobicContact CE1-CD1 3.57Å; F38-L81 HydrophobicContact CZ-CD1 3.82Å; F38-L85 HydrophobicContact CE1-CD2 4.09Å
39G91.6Very high92.1Very high28 Ų2880.5 Ų80.529%0.28940%0.395SS..G310 helixtrans-55.8-26.1169.400000115K37 I41K37-G39 PolarHBondContact O-N 3.32Å; G39-I41 VanDerWaalsContact C-N 3.29Å; G39-I41 PolarHBondContact O-N 2.93Å
40T92.1Very high91.7Very high89 Ų8984.4 Ų84.455%0.54641%0.414SS..G310 helixtrans-83.64.4179.564.70000114.4K37 F38 F42 C43K37-T40 PolarHBondContact O-N 2.81Å; K37-T40 PolarHBondContact O-OG1 3.17Å; F38-T40 PolarHBondContact O-N 3.41Å; T40-F42 PolarHBondContact O-N 3.24Å; T40-C43 VanDerWaalsContact O-CB 3.28Å; T40-C43 WeakPolarHBondContact O-CB 3.4Å; T40-C43 PolarHBondContact O-N 3.15Å
41I92.2Very high91.4Very high30 Ų3085.4 Ų85.415%0.15442%0.416CS..G310 helixtrans-58.2-22.3-176.8-161.9162.3000114.2L7 F38 G39 F54 L85L7-I41 HydrophobicContact CD1-CD1 3.56Å; L7-I41 HydrophobicContact CD1-CG1 4.37Å; F38-I41 HydrophobicContact CD1-CD1 4.24Å; F38-I41 HydrophobicContact CD1-CG2 4.46Å; F38-I41 HydrophobicContact CE1-CD1 3.58Å; F38-I41 HydrophobicContact CE1-CG2 4.46Å; F38-I41 HydrophobicContact CE2-CD1 4.15Å; F38-I41 HydrophobicContact CZ-CD1 3.53Å; F38-I41 VanDerWaalsContact O-CB 3.29Å; F38-I41 WeakPolarHBondContact O-CB 3.48Å; F38-I41 VanDerWaalsContact O-CG2 3.28Å; F38-I41 WeakPolarHBondContact O-CG2 3.27Å; F38-I41 PolarHBondContact O-N 3.26Å; G39-I41 VanDerWaalsContact C-N 3.29Å; G39-I41 PolarHBondContact O-N 2.93Å; I41-F54 HydrophobicContact CG1-CE1 4.2Å; I41-F54 HydrophobicContact CG1-CZ 3.96Å; I41-F54 WeakPolarHBondContact O-CE1 3.25Å; I41-L85 HydrophobicContact CG2-CD2 3.99Å
42F90.4Very high91.2Very high7 Ų782.5 Ų82.53%0.03140%0.403CS..G310 helixtrans-96.4-3176.2-61.4-67.9000114.7T40 G44 F54 T55 L85 T88 Q89 L90T40-F42 PolarHBondContact O-N 3.24Å; F42-G44 VanDerWaalsContact C-N 3.26Å; F42-G44 PolarHBondContact O-N 2.79Å; F42-F54 AromaticContact CD1-CD1 3.76Å; F42-F54 HydrophobicContact CD1-CD1 3.76Å; F42-F54 AromaticContact CD1-CE1 3.78Å; F42-F54 HydrophobicContact CD1-CE1 3.78Å; F42-F54 AromaticContact CE1-CD1 3.76Å; F42-F54 HydrophobicContact CE1-CD1 3.76Å; F42-F54 AromaticContact CE1-CE1 3.81Å; F42-F54 HydrophobicContact CE1-CE1 3.81Å; F42-T55 HydrophobicContact CE1-CG2 3.95Å; F42-T55 VanDerWaalsContact CE1-OG1 3.27Å; F42-T55 WeakPolarHBondContact CE1-OG1 3.46Å; F42-T55 HydrophobicContact CZ-CG2 4.07Å; F42-L85 HydrophobicContact CE2-CD2 3.88Å; F42-L85 HydrophobicContact CZ-CB 4.45Å; F42-L85 HydrophobicContact CZ-CD2 3.69Å; F42-T88 VanDerWaalsContact CD2-O 3.32Å; F42-T88 WeakPolarHBondContact CD2-O 3.45Å; F42-T88 WeakPolarHBondContact CE2-OG1 3.5Å; F42-Q89 HydrophobicContact CD2-CB 4.41Å; F42-Q89 HydrophobicContact CE1-CB 4.46Å; F42-Q89 HydrophobicContact CE2-CB 4.03Å; F42-Q89 HydrophobicContact CZ-CB 4.06Å; F42-L90 HydrophobicContact CB-CB 4.48Å; F42-L90 HydrophobicContact CB-CD1 4.17Å; F42-L90 HydrophobicContact CB-CG 3.9Å
43C86.6Confident90.8Very high86 Ų8685.3 Ų85.358%0.58142%0.417SS*.  trans-79.91.1-172.5-63.60000114.7T40T40-C43 VanDerWaalsContact O-CB 3.28Å; T40-C43 WeakPolarHBondContact O-CB 3.4Å; T40-C43 PolarHBondContact O-N 3.15Å
44G83.4Confident90.6Very high38 Ų3885 Ų8539%0.39242%0.416SS..SBendtrans-62.4153.2174.500000113.4F42 M46F42-G44 VanDerWaalsContact C-N 3.26Å; F42-G44 PolarHBondContact O-N 2.79Å; G44-M46 PolarHBondContact O-N 3.24Å
45R78.1Confident90.4Very high265 Ų26578.5 Ų78.5100%139%0.391SS*.  trans-73.364.6176.6-66.2-171.3-175.7-176.63.3112.2
46M86.4Confident90.2Very high54 Ų5477.3 Ų77.327%0.26638%0.381SS..  trans-96.7145.5178.7-63.2178-170.800111.8G44 E50 K51 F54G44-M46 PolarHBondContact O-N 3.24Å; M46-E50 HydrophobicContact CB-CB 4.07Å; M46-K51 HydrophobicContact CB-CG 3.6Å; M46-K51 VanDerWaalsContact O-CE 3.25Å; M46-K51 WeakPolarHBondContact O-CE 3.48Å; M46-K51 HydrophobicContact SD-CG 4.37Å; M46-F54 HydrophobicContact CE-CB 4.44Å; M46-F54 HydrophobicContact CE-CD1 4.14Å; M46-F54 HydrophobicContact CE-CD2 3.87Å; M46-F54 HydrophobicContact CE-CE1 4.36Å; M46-F54 HydrophobicContact CE-CE2 4.09Å; M46-F54 HydrophobicContact CE-CG 3.89Å; M46-F54 HydrophobicContact CE-CZ 4.33Å; M46-F54 HydrophobicContact SD-CB 4.06Å; M46-F54 HydrophobicContact SD-CD1 4.33Å; M46-F54 HydrophobicContact SD-CG 4.08Å
47R88.8Confident90Very high186 Ų18677.1 Ų77.170%0.70238%0.379SS*.  trans-70.3159.2167.5-58.5-179.5172.4162.2-6.6110.6L49 E50 K51R47-L49 VanDerWaalsContact C-N 3.26Å; R47-L49 PolarHBondContact O-N 3.38Å; R47-L49 VanDerWaalsContact O-N 3.16Å; R47-E50 HydrophobicContact CB-CG 4.48Å; R47-E50 WeakPolarHBondContact CB-OE2 3.38Å; R47-E50 VanDerWaalsContact CD-OE1 3.32Å; R47-E50 WeakPolarHBondContact CD-OE1 3.38Å; R47-E50 WeakPolarHBondContact CG-OE2 3.35Å; R47-E50 PolarHBondContact N-OE2 2.98Å; R47-E50 WeakPolarHBondContact O-CA 3.29Å; R47-E50 WeakPolarHBondContact O-CB 3.5Å; R47-E50 PolarHBondContact O-N 3.28Å; R47-K51 PolarHBondContact O-N 3.26Å
48N88.8Confident90Very high117 Ų11769.9 Ų69.963%0.62635%0.348SS*.Hα-helixtrans-60.3-31.6-175.3-66.7-8000113.9N52N48-N52 WeakPolarHBondContact O-CB 3.37Å; N48-N52 PolarHBondContact O-N 3.36Å; N48-N52 VanDerWaalsContact O-N 3.1Å; N48-N52 PolarHBondContact O-ND2 3.48Å
49L89.1Confident90Very high136 Ų13669.5 Ų69.571%0.71235%0.346SS*.Hα-helixtrans-69.5-41.7173.2-65.5177.7000112.1R47 N52 M53R47-L49 VanDerWaalsContact C-N 3.26Å; R47-L49 PolarHBondContact O-N 3.38Å; R47-L49 VanDerWaalsContact O-N 3.16Å; L49-N52 PolarHBondContact O-N 3.01Å; L49-M53 WeakPolarHBondContact O-CG 3.34Å; L49-M53 PolarHBondContact O-N 2.89Å
50E89.6Confident90.1Very high84 Ų8469.9 Ų69.939%0.39335%0.346SS..Hα-helixtrans-64.5-46.4176.5-68.8141.6-149.600110.8M46 R47 N52 M53 F54M46-E50 HydrophobicContact CB-CB 4.07Å; R47-E50 HydrophobicContact CB-CG 4.48Å; R47-E50 WeakPolarHBondContact CB-OE2 3.38Å; R47-E50 VanDerWaalsContact CD-OE1 3.32Å; R47-E50 WeakPolarHBondContact CD-OE1 3.38Å; R47-E50 WeakPolarHBondContact CG-OE2 3.35Å; R47-E50 PolarHBondContact N-OE2 2.98Å; R47-E50 WeakPolarHBondContact O-CA 3.29Å; R47-E50 WeakPolarHBondContact O-CB 3.5Å; R47-E50 PolarHBondContact O-N 3.28Å; E50-N52 VanDerWaalsContact C-N 3.33Å; E50-N52 PolarHBondContact O-N 3.27Å; E50-M53 PolarHBondContact O-N 3.03Å; E50-M53 VanDerWaalsContact O-N 3.07Å; E50-F54 WeakPolarHBondContact O-CB 3.46Å; E50-F54 PolarHBondContact O-N 3.29Å
51K90.8Very high90.1Very high49 Ų4966 Ų6621%0.21332%0.322CS..Hα-helixtrans-53.8-47.8172.2-69.6-180173.7171.90112.1M46 R47 M53 F54 T55M46-K51 HydrophobicContact CB-CG 3.6Å; M46-K51 VanDerWaalsContact O-CE 3.25Å; M46-K51 WeakPolarHBondContact O-CE 3.48Å; M46-K51 HydrophobicContact SD-CG 4.37Å; R47-K51 PolarHBondContact O-N 3.26Å; K51-M53 VanDerWaalsContact C-N 3.29Å; K51-M53 PolarHBondContact O-N 3.4Å; K51-F54 PolarHBondContact O-N 2.91Å; K51-T55 WeakPolarHBondContact O-CB 3.27Å; K51-T55 PolarHBondContact O-N 3.49Å; K51-T55 PolarHBondContact O-OG1 3.43Å
52N92.1Very high90.2Very high34 Ų3464.6 Ų64.618%0.18232%0.315CS..Hα-helixtrans-66.6-26.9179.1-77.9-32.6000113.2N48 L49 E50 K56 C91 Q95N48-N52 WeakPolarHBondContact O-CB 3.37Å; N48-N52 PolarHBondContact O-N 3.36Å; N48-N52 VanDerWaalsContact O-N 3.1Å; N48-N52 PolarHBondContact O-ND2 3.48Å; L49-N52 PolarHBondContact O-N 3.01Å; E50-N52 VanDerWaalsContact C-N 3.33Å; E50-N52 PolarHBondContact O-N 3.27Å; N52-K56 WeakPolarHBondContact O-CD 3.47Å; N52-K56 WeakPolarHBondContact O-CE 3.27Å; N52-K56 WeakPolarHBondContact O-CG 3.25Å; N52-C91 WeakPolarHBondContact OD1-CB 3.44Å; N52-C91 PolarHBondContact OD1-SG 3.12Å; N52-Q95 VanDerWaalsContact CG-NE2 3.34Å; N52-Q95 PolarHBondContact OD1-NE2 2.77Å
53M90.2Very high90.4Very high86 Ų8664.7 Ų64.742%0.42432%0.315SS..Hα-helixtrans-80.2-50.6173.1-75.3-1785800111.4M1 L49 E50 K51 T55 K56 E57M1-M53 HydrophobicContact CE-CE 4.26Å; M1-M53 HydrophobicContact CG-CE 3.79Å; L49-M53 WeakPolarHBondContact O-CG 3.34Å; L49-M53 PolarHBondContact O-N 2.89Å; E50-M53 PolarHBondContact O-N 3.03Å; E50-M53 VanDerWaalsContact O-N 3.07Å; K51-M53 VanDerWaalsContact C-N 3.29Å; K51-M53 PolarHBondContact O-N 3.4Å; M53-T55 VanDerWaalsContact C-N 3.33Å; M53-T55 PolarHBondContact O-N 3.1Å; M53-K56 WeakPolarHBondContact O-CB 3.49Å; M53-K56 PolarHBondContact O-N 2.82Å; M53-E57 PolarHBondContact O-N 2.91Å
54F92.4Very high90.7Very high27 Ų2762.8 Ų62.812%0.11830%0.296CS..Hα-helixtrans-54.3-47.1177.6-180-96.8000111.8P4 L7 I41 F42 M46 E50 K51 K56 E57 A58P4-F54 HydrophobicContact CB-CE2 4.39Å; P4-F54 HydrophobicContact CG-CD2 3.93Å; P4-F54 HydrophobicContact CG-CE2 4.19Å; L7-F54 HydrophobicContact CB-CE2 4.4Å; L7-F54 HydrophobicContact CD1-CE2 4.37Å; L7-F54 HydrophobicContact CD1-CZ 4.01Å; L7-F54 HydrophobicContact CD2-CD2 4.34Å; L7-F54 HydrophobicContact CD2-CE2 3.88Å; L7-F54 HydrophobicContact CD2-CZ 4.22Å; L7-F54 HydrophobicContact CG-CE2 4.44Å; I41-F54 HydrophobicContact CG1-CE1 4.2Å; I41-F54 HydrophobicContact CG1-CZ 3.96Å; I41-F54 WeakPolarHBondContact O-CE1 3.25Å; F42-F54 AromaticContact CD1-CD1 3.76Å; F42-F54 HydrophobicContact CD1-CD1 3.76Å; F42-F54 AromaticContact CD1-CE1 3.78Å; F42-F54 HydrophobicContact CD1-CE1 3.78Å; F42-F54 AromaticContact CE1-CD1 3.76Å; F42-F54 HydrophobicContact CE1-CD1 3.76Å; F42-F54 AromaticContact CE1-CE1 3.81Å; F42-F54 HydrophobicContact CE1-CE1 3.81Å; M46-F54 HydrophobicContact CE-CB 4.44Å; M46-F54 HydrophobicContact CE-CD1 4.14Å; M46-F54 HydrophobicContact CE-CD2 3.87Å; M46-F54 HydrophobicContact CE-CE1 4.36Å; M46-F54 HydrophobicContact CE-CE2 4.09Å; M46-F54 HydrophobicContact CE-CG 3.89Å; M46-F54 HydrophobicContact CE-CZ 4.33Å; M46-F54 HydrophobicContact SD-CB 4.06Å; M46-F54 HydrophobicContact SD-CD1 4.33Å; M46-F54 HydrophobicContact SD-CG 4.08Å; E50-F54 WeakPolarHBondContact O-CB 3.46Å; E50-F54 PolarHBondContact O-N 3.29Å; K51-F54 PolarHBondContact O-N 2.91Å; F54-K56 VanDerWaalsContact C-N 3.33Å; F54-K56 PolarHBondContact O-N 2.98Å; F54-E57 PolarHBondContact O-N 2.86Å; F54-E57 VanDerWaalsContact O-N 3.15Å; F54-A58 WeakPolarHBondContact O-CB 3.47Å; F54-A58 PolarHBondContact O-N 3.39Å
55T93.9Very high91.2Very high0 Ų061 Ų610%028%0.277CS..Hα-helixtrans-63.8-36.2177.4-50.50000112.5F42 K51 M53 L59 Q89 C91 Q95F42-T55 HydrophobicContact CE1-CG2 3.95Å; F42-T55 VanDerWaalsContact CE1-OG1 3.27Å; F42-T55 WeakPolarHBondContact CE1-OG1 3.46Å; F42-T55 HydrophobicContact CZ-CG2 4.07Å; K51-T55 WeakPolarHBondContact O-CB 3.27Å; K51-T55 PolarHBondContact O-N 3.49Å; K51-T55 PolarHBondContact O-OG1 3.43Å; M53-T55 VanDerWaalsContact C-N 3.33Å; M53-T55 PolarHBondContact O-N 3.1Å; T55-L59 HydrophobicContact CG2-CD1 4.1Å; T55-L59 HydrophobicContact CG2-CG 4.39Å; T55-L59 WeakPolarHBondContact O-CB 3.5Å; T55-L59 VanDerWaalsContact O-CG 3.27Å; T55-L59 WeakPolarHBondContact O-CG 3.29Å; T55-L59 PolarHBondContact O-N 3.44Å; T55-Q89 HydrophobicContact CG2-CB 3.71Å; T55-Q89 HydrophobicContact CG2-CG 4.46Å; T55-C91 PolarHBondContact OG1-SG 2.71Å; T55-Q95 HydrophobicContact CG2-CB 4.01Å; T55-Q95 HydrophobicContact CG2-CG 4.37Å
56K92.6Very high92Very high97 Ų9748.4 Ų48.442%0.42223%0.23SC..Hα-helixtrans-68-37.1174.5-73.3169.5-168.2173.60111.9N52 M53 F54 A60 Q95N52-K56 WeakPolarHBondContact O-CD 3.47Å; N52-K56 WeakPolarHBondContact O-CE 3.27Å; N52-K56 WeakPolarHBondContact O-CG 3.25Å; M53-K56 WeakPolarHBondContact O-CB 3.49Å; M53-K56 PolarHBondContact O-N 2.82Å; F54-K56 VanDerWaalsContact C-N 3.33Å; F54-K56 PolarHBondContact O-N 2.98Å; K56-A60 WeakPolarHBondContact O-CB 3.04Å; K56-A60 PolarHBondContact O-N 3.23Å; K56-Q95 VanDerWaalsContact CE-CD 3.5Å; K56-Q95 HydrophobicContact CG-CB 4.37Å; K56-Q95 HydrophobicContact CG-CG 4.36Å
57E91.5Very high92.2Very high45 Ų4547 Ų4721%0.2122%0.223CC..Hα-helixtrans-74.3-38.6179-69.2-179.7157.800111.2M1 M53 F54 A60 L61M1-E57 PolarHBondContact N-OE1 3.36Å; M53-E57 PolarHBondContact O-N 2.91Å; F54-E57 PolarHBondContact O-N 2.86Å; F54-E57 VanDerWaalsContact O-N 3.15Å; E57-A60 PolarHBondContact O-N 2.87Å; E57-L61 WeakPolarHBondContact O-CB 3.39Å; E57-L61 PolarHBondContact O-N 3.48Å
58A94.3Very high92.2Very high0 Ų041.2 Ų41.20%021%0.21CC..Hα-helixtrans-62-48.8171.200000112.8L7 F54 A60 L61 A62 L85L7-A58 HydrophobicContact CD1-CB 4.26Å; L7-A58 HydrophobicContact CD2-CB 3.96Å; F54-A58 WeakPolarHBondContact O-CB 3.47Å; F54-A58 PolarHBondContact O-N 3.39Å; A58-A60 PolarHBondContact O-N 3.39Å; A58-L61 PolarHBondContact O-N 3.1Å; A58-A62 PolarHBondContact O-N 3.38Å; A58-L85 HydrophobicContact CB-CD1 4.15Å; A58-L85 HydrophobicContact CB-CD2 4.19Å
59L95.3Very high92.2Very high2 Ų239.1 Ų39.11%0.0120%0.203CC..Hα-helixtrans-66.4-36.2177.4-67.3175.1000112.2T55 L61 W63 L82 L85 I97T55-L59 HydrophobicContact CG2-CD1 4.1Å; T55-L59 HydrophobicContact CG2-CG 4.39Å; T55-L59 WeakPolarHBondContact O-CB 3.5Å; T55-L59 VanDerWaalsContact O-CG 3.27Å; T55-L59 WeakPolarHBondContact O-CG 3.29Å; T55-L59 PolarHBondContact O-N 3.44Å; L59-L61 VanDerWaalsContact C-N 3.33Å; L59-W63 VanDerWaalsContact O-CB 3.24Å; L59-W63 WeakPolarHBondContact O-CB 3.35Å; L59-W63 PolarHBondContact O-N 3.06Å; L59-L82 HydrophobicContact CD2-CD2 4.29Å; L59-L85 HydrophobicContact CD2-CB 3.64Å; L59-I97 HydrophobicContact CD1-CG1 4.25Å; L59-I97 HydrophobicContact CD2-CG1 4.09Å
60A93Very high92.2Very high35 Ų3533.3 Ų33.329%0.28917%0.171SC..Hα-helixtrans-73.3-24.7175.700000113.4K56 E57 A58K56-A60 WeakPolarHBondContact O-CB 3.04Å; K56-A60 PolarHBondContact O-N 3.23Å; E57-A60 PolarHBondContact O-N 2.87Å; A58-A60 PolarHBondContact O-N 3.39Å
61L92.7Very high92.3Very high9 Ų930.4 Ų30.45%0.04716%0.159CC..Hα-helixtrans-75.4-49.9172175.567.9000110.6T3 L7 Q8 C11 E57 A58 L59 W63 R64 Y65T3-L61 HydrophobicContact CG2-CD2 4.09Å; L7-L61 HydrophobicContact CD2-CD2 4.44Å; L7-L61 HydrophobicContact CG-CD2 3.95Å; Q8-L61 HydrophobicContact CB-CD2 4.34Å; Q8-L61 HydrophobicContact CG-CD1 4.29Å; C11-L61 HydrophobicContact CB-CD2 4.07Å; E57-L61 WeakPolarHBondContact O-CB 3.39Å; E57-L61 PolarHBondContact O-N 3.48Å; A58-L61 PolarHBondContact O-N 3.1Å; L59-L61 VanDerWaalsContact C-N 3.33Å; L61-W63 VanDerWaalsContact C-N 3.3Å; L61-W63 PolarHBondContact O-N 3.19Å; L61-R64 WeakPolarHBondContact O-CB 3.45Å; L61-R64 PolarHBondContact O-N 3.22Å; L61-Y65 HydrophobicContact CD1-CE2 3.68Å; L61-Y65 HydrophobicContact CG-CE2 3.87Å; L61-Y65 VanDerWaalsContact O-CD2 3.27Å; L61-Y65 WeakPolarHBondContact O-CD2 3.38Å; L61-Y65 WeakPolarHBondContact O-CE2 3.47Å
62A95.3Very high92.4Very high0 Ų031.6 Ų31.60%017%0.165CC..Hα-helixtrans-60.2-39.5175.400000112.2A58 R64 Y65 F66 L81 L82 L85A58-A62 PolarHBondContact O-N 3.38Å; A62-R64 PolarHBondContact O-N 3.11Å; A62-Y65 PolarHBondContact O-N 2.91Å; A62-F66 PolarHBondContact O-N 2.72Å; A62-L81 HydrophobicContact CB-CB 4.5Å; A62-L81 HydrophobicContact CB-CD2 3.83Å; A62-L81 HydrophobicContact CB-CG 3.75Å; A62-L82 HydrophobicContact CB-CD2 3.74Å; A62-L82 HydrophobicContact CB-CG 3.82Å; A62-L85 HydrophobicContact CB-CD1 3.87Å
63W94.6Very high92.5Very high8 Ų831.4 Ų31.43%0.0316%0.162CC..Hα-helixtrans-58.7-27.9174.1-173.6-98.5000113.6L59 L61 F66 L67 L82 I97 V99 V107 F135L59-W63 VanDerWaalsContact O-CB 3.24Å; L59-W63 WeakPolarHBondContact O-CB 3.35Å; L59-W63 PolarHBondContact O-N 3.06Å; L61-W63 VanDerWaalsContact C-N 3.3Å; L61-W63 PolarHBondContact O-N 3.19Å; W63-F66 HydrophobicContact CD2-CD1 4.41Å; W63-F66 AromaticContact CE3-CD1 3.89Å; W63-F66 HydrophobicContact CE3-CD1 3.89Å; W63-F66 HydrophobicContact CE3-CE1 4.48Å; W63-F66 AromaticContact CH2-CD1 3.78Å; W63-F66 HydrophobicContact CH2-CD1 3.78Å; W63-F66 AromaticContact CH2-CE1 3.72Å; W63-F66 HydrophobicContact CH2-CE1 3.72Å; W63-F66 HydrophobicContact CZ2-CD1 4.3Å; W63-F66 AromaticContact CZ3-CD1 3.55Å; W63-F66 HydrophobicContact CZ3-CD1 3.55Å; W63-F66 AromaticContact CZ3-CE1 3.7Å; W63-F66 HydrophobicContact CZ3-CE1 3.7Å; W63-F66 PolarHBondContact O-N 2.95Å; W63-L67 HydrophobicContact CZ2-CD2 4.26Å; W63-L82 HydrophobicContact CB-CD2 4.37Å; W63-L82 HydrophobicContact CE3-CD1 3.77Å; W63-L82 HydrophobicContact CZ3-CD1 4.29Å; W63-I97 HydrophobicContact CD2-CG2 4.1Å; W63-I97 HydrophobicContact CE3-CG2 3.47Å; W63-I97 VanDerWaalsContact CE3-CG2 3.47Å; W63-I97 HydrophobicContact CZ3-CG2 4.03Å; W63-V99 HydrophobicContact CE3-CG2 4.41Å; W63-V99 HydrophobicContact CH2-CB 4.42Å; W63-V99 HydrophobicContact CH2-CG1 4.09Å; W63-V99 HydrophobicContact CH2-CG2 3.6Å; W63-V99 HydrophobicContact CZ2-CB 4.18Å; W63-V99 HydrophobicContact CZ2-CG1 3.74Å; W63-V99 HydrophobicContact CZ2-CG2 3.78Å; W63-V99 HydrophobicContact CZ3-CG2 3.95Å; W63-V107 HydrophobicContact CH2-CG2 3.72Å; W63-V107 HydrophobicContact CZ2-CG2 3.94Å; W63-F135 HydrophobicContact CZ3-CD1 4.34Å; W63-F135 AromaticContact CZ3-CE1 3.85Å; W63-F135 HydrophobicContact CZ3-CE1 3.85Å
64R91.6Very high92.7Very high46 Ų4627.3 Ų27.317%0.17414%0.142CC..Hα-helixtrans-67.5-43.8177.7-178.2-171.5168-135.80.6111.6L61 A62 F66 L67 Y70 A155 E156L61-R64 WeakPolarHBondContact O-CB 3.45Å; L61-R64 PolarHBondContact O-N 3.22Å; A62-R64 PolarHBondContact O-N 3.11Å; R64-F66 VanDerWaalsContact C-N 3.26Å; R64-F66 PolarHBondContact O-N 2.9Å; R64-L67 PolarHBondContact O-N 3.38Å; R64-Y70 WeakPolarHBondContact O-CE2 3.36Å; R64-A155 PolarHBondContact NH2-O 3.35Å; R64-E156 PolarHBondContact NH2-O 2.86Å
65Y94.2Very high92.9Very high0 Ų027.1 Ų27.10%014%0.141CC..Hα-helixtrans-73.7-17.8-179.9-54.8-72.6000113.1E12 L15 L61 A62 Y70 A78 F161E12-Y65 HydrophobicContact CG-CE1 4.2Å; E12-Y65 WeakPolarHBondContact CG-OH 3.45Å; E12-Y65 PolarHBondContact OE1-OH 3.32Å; L15-Y65 HydrophobicContact CD1-CD1 4.27Å; L15-Y65 HydrophobicContact CD1-CD2 3.78Å; L15-Y65 HydrophobicContact CD1-CE2 4.41Å; L15-Y65 HydrophobicContact CD1-CG 3.71Å; L61-Y65 HydrophobicContact CD1-CE2 3.68Å; L61-Y65 HydrophobicContact CG-CE2 3.87Å; L61-Y65 VanDerWaalsContact O-CD2 3.27Å; L61-Y65 WeakPolarHBondContact O-CD2 3.38Å; L61-Y65 WeakPolarHBondContact O-CE2 3.47Å; A62-Y65 PolarHBondContact O-N 2.91Å; Y65-Y70 HydrophobicContact CD1-CD2 4.39Å; Y65-Y70 HydrophobicContact CD1-CE1 4.34Å; Y65-Y70 AromaticContact CD1-CE2 3.84Å; Y65-Y70 HydrophobicContact CD1-CE2 3.84Å; Y65-Y70 AromaticContact CD1-CZ 3.77Å; Y65-Y70 HydrophobicContact CG-CE2 4.49Å; Y65-A78 VanDerWaalsContact C-CB 3.45Å; Y65-F161 AromaticContact CD1-CD2 3.86Å; Y65-F161 HydrophobicContact CD1-CD2 3.86Å; Y65-F161 HydrophobicContact CD1-CE2 4.14Å; Y65-F161 HydrophobicContact CE1-CD2 4.05Å; Y65-F161 HydrophobicContact CE1-CE2 4.08Å
66F95Very high93.1Very high1 Ų127.1 Ų27.10%0.00414%0.141CC..Hα-helixtrans-75.8-19.7176.3179.4-113.8000114.1A62 W63 R64 R75 A78 L79 L82 V107 F110A62-F66 PolarHBondContact O-N 2.72Å; W63-F66 HydrophobicContact CD2-CD1 4.41Å; W63-F66 AromaticContact CE3-CD1 3.89Å; W63-F66 HydrophobicContact CE3-CD1 3.89Å; W63-F66 HydrophobicContact CE3-CE1 4.48Å; W63-F66 AromaticContact CH2-CD1 3.78Å; W63-F66 HydrophobicContact CH2-CD1 3.78Å; W63-F66 AromaticContact CH2-CE1 3.72Å; W63-F66 HydrophobicContact CH2-CE1 3.72Å; W63-F66 HydrophobicContact CZ2-CD1 4.3Å; W63-F66 AromaticContact CZ3-CD1 3.55Å; W63-F66 HydrophobicContact CZ3-CD1 3.55Å; W63-F66 AromaticContact CZ3-CE1 3.7Å; W63-F66 HydrophobicContact CZ3-CE1 3.7Å; W63-F66 PolarHBondContact O-N 2.95Å; R64-F66 VanDerWaalsContact C-N 3.26Å; R64-F66 PolarHBondContact O-N 2.9Å; F66-R75 WeakPolarHBondContact CD2-O 3.3Å; F66-R75 PolarHBondContact O-NE 2.73Å; F66-R75 PolarHBondContact O-NH2 2.87Å; F66-A78 HydrophobicContact CB-CB 3.92Å; F66-L79 HydrophobicContact CD2-CB 3.92Å; F66-L79 HydrophobicContact CE2-CB 3.87Å; F66-L79 HydrophobicContact CE2-CD1 4.1Å; F66-L79 HydrophobicContact CE2-CD2 4.39Å; F66-L79 HydrophobicContact CE2-CG 4.34Å; F66-L82 HydrophobicContact CB-CD1 4.08Å; F66-L82 HydrophobicContact CD1-CD1 4.45Å; F66-L82 HydrophobicContact CG-CD1 4.16Å; F66-V107 HydrophobicContact CE1-CB 4.33Å; F66-V107 HydrophobicContact CE1-CG1 3.79Å; F66-V107 HydrophobicContact CE1-CG2 3.83Å; F66-V107 HydrophobicContact CZ-CG1 3.97Å; F66-F110 HydrophobicContact CD2-CE1 4.33Å; F66-F110 AromaticContact CE2-CD1 3.59Å; F66-F110 HydrophobicContact CE2-CD1 3.59Å; F66-F110 AromaticContact CE2-CE1 3.59Å; F66-F110 HydrophobicContact CE2-CE1 3.59Å; F66-F110 AromaticContact CZ-CD1 3.92Å; F66-F110 HydrophobicContact CZ-CD1 3.92Å; F66-F110 HydrophobicContact CZ-CE1 4.37Å
67L90.9Very high93.3Very high25 Ų2522.5 Ų22.513%0.13112%0.121CC..SBendtrans-95.2159.5179.6-64.3-179.1000112W63 R64 Y70 D103 V107W63-L67 HydrophobicContact CZ2-CD2 4.26Å; R64-L67 PolarHBondContact O-N 3.38Å; L67-Y70 WeakPolarHBondContact O-CD2 3.33Å; L67-D103 HydrophobicContact CD1-CB 4.15Å; L67-D103 HydrophobicContact CD2-CB 4.21Å; L67-V107 HydrophobicContact CD2-CG2 4.38Å
68P88.6Confident93.6Very high65 Ų6520.3 Ų20.342%0.42211%0.111SC..THydrogen-bonded Turntrans-54.6149.2168.3-24.335.1000111.9
69P88.4Confident93.8Very high73 Ų7320.4 Ų20.447%0.47411%0.111SC..THydrogen-bonded Turncis-101.420.21840.2-37.4000115.3V157 K162P69-V157 HydrophobicContact CG-CG1 4.17Å; P69-K162 HydrophobicContact CG-CD 4.17Å; P69-K162 HydrophobicContact CG-CG 4.22Å
70Y90.1Very high93.9Very high14 Ų1420.3 Ų20.36%0.05511%0.11CC..BIsolated β-bridgetrans-71.7156.2-176.5-57.8-63.2000113.5R64 Y65 L67 I74 R75 V157 T158 F161R64-Y70 WeakPolarHBondContact O-CE2 3.36Å; Y65-Y70 HydrophobicContact CD1-CD2 4.39Å; Y65-Y70 HydrophobicContact CD1-CE1 4.34Å; Y65-Y70 AromaticContact CD1-CE2 3.84Å; Y65-Y70 HydrophobicContact CD1-CE2 3.84Å; Y65-Y70 AromaticContact CD1-CZ 3.77Å; Y65-Y70 HydrophobicContact CG-CE2 4.49Å; L67-Y70 WeakPolarHBondContact O-CD2 3.33Å; Y70-I74 HydrophobicContact CG-CG2 4.26Å; Y70-R75 WeakPolarHBondContact O-CD 3.1Å; Y70-V157 HydrophobicContact CE1-CG1 3.59Å; Y70-T158 WeakPolarHBondContact CE1-OG1 3.49Å; Y70-F161 CarbonylContact C-O 3.43Å; Y70-F161 VanDerWaalsContact CA-O 3.26Å; Y70-F161 WeakPolarHBondContact CA-O 3.23Å; Y70-F161 HydrophobicContact CD1-CB 3.42Å; Y70-F161 VanDerWaalsContact CD1-CB 3.42Å; Y70-F161 HydrophobicContact CE1-CB 3.84Å; Y70-F161 HydrophobicContact CG-CB 4.34Å
71T91.2Very high94.2Very high23 Ų2318.6 Ų18.614%0.14110%0.097CC..  trans-57.4156.7179.862.30000112.3Q73 I74 R75 F161 K162 D163T71-Q73 VanDerWaalsContact C-N 3.29Å; T71-Q73 PolarHBondContact O-N 2.87Å; T71-I74 PolarHBondContact O-N 3.25Å; T71-I74 WeakPolarHBondContact OG1-CB 3.4Å; T71-I74 VanDerWaalsContact OG1-CG1 3.26Å; T71-I74 WeakPolarHBondContact OG1-CG1 3.37Å; T71-I74 PolarHBondContact OG1-N 3.41Å; T71-I74 VanDerWaalsContact OG1-N 3.16Å; T71-R75 VanDerWaalsContact O-CG 3.31Å; T71-R75 WeakPolarHBondContact O-CG 3.43Å; T71-R75 PolarHBondContact O-N 3.41Å; T71-F161 PolarHBondContact N-O 3.39Å; T71-K162 VanDerWaalsContact CG2-C 3.48Å; T71-D163 HydrophobicContact CG2-CB 4.16Å; T71-D163 VanDerWaalsContact CG2-N 3.34Å
72F92.6Very high94.4Very high74 Ų7418.2 Ų18.233%0.3259%0.094SC..Hα-helixtrans-52.9-46.2175-175.8-96.3000112.3V24 R75 V76 F110 D113 L114 A117 H119V24-F72 HydrophobicContact CG1-CD1 4.28Å; V24-F72 HydrophobicContact CG1-CE1 4.35Å; F72-R75 PolarHBondContact O-N 3.21Å; F72-V76 HydrophobicContact CD1-CG2 4.18Å; F72-V76 HydrophobicContact CE1-CG2 3.91Å; F72-V76 HydrophobicContact CZ-CG2 4.29Å; F72-V76 WeakPolarHBondContact O-CG2 3.31Å; F72-V76 PolarHBondContact O-N 2.96Å; F72-F110 HydrophobicContact CD2-CD2 4.36Å; F72-F110 AromaticContact CD2-CE2 3.65Å; F72-F110 HydrophobicContact CD2-CE2 3.65Å; F72-F110 HydrophobicContact CE2-CD2 4.33Å; F72-F110 AromaticContact CE2-CE2 3.73Å; F72-F110 HydrophobicContact CE2-CE2 3.73Å; F72-F110 HydrophobicContact CE2-CZ 4.39Å; F72-F110 HydrophobicContact CG-CE2 4.49Å; F72-D113 HydrophobicContact CE2-CB 4.06Å; F72-L114 HydrophobicContact CE2-CD2 4.21Å; F72-L114 HydrophobicContact CZ-CD2 3.77Å; F72-A117 HydrophobicContact CZ-CB 4.46Å; F72-H119 AromaticContact CE1-CD2 3.51Å; F72-H119 AromaticContact CE1-NE2 3.9Å; F72-H119 AromaticContact CZ-CD2 3.72Å
73Q93.8Very high94.5Very high29 Ų2920.7 Ų20.714%0.13610%0.104CC..Hα-helixtrans-63.4-43.7178.2-169.2-174.616.700112.7F18 Q19 S23 V24 T71 R75 V76 G77F18-Q73 HydrophobicContact CD1-CG 4.33Å; F18-Q73 HydrophobicContact CE1-CG 4.12Å; F18-Q73 WeakPolarHBondContact CE1-O 3.31Å; F18-Q73 PolarHBondContact O-NE2 2.97Å; F18-Q73 VanDerWaalsContact O-NE2 3.09Å; Q19-Q73 PolarHBondContact O-NE2 3.11Å; Q19-Q73 VanDerWaalsContact O-NE2 3.09Å; S23-Q73 PolarHBondContact O-NE2 2.92Å; V24-Q73 HydrophobicContact CG1-CB 4.19Å; V24-Q73 HydrophobicContact CG1-CG 4.04Å; T71-Q73 VanDerWaalsContact C-N 3.29Å; T71-Q73 PolarHBondContact O-N 2.87Å; Q73-R75 VanDerWaalsContact C-N 3.33Å; Q73-R75 PolarHBondContact O-N 3.35Å; Q73-V76 PolarHBondContact O-N 3.04Å; Q73-G77 PolarHBondContact O-N 3.24Å
74I95.8Very high94.6Very high0 Ų020.9 Ų20.90%011%0.108CC..Hα-helixtrans-64.2-38.9174.6-69.7-72.8000111L15 Q19 Y70 T71 G77 A78 F161L15-I74 HydrophobicContact CB-CD1 3.84Å; Q19-I74 HydrophobicContact CB-CD1 4.23Å; Y70-I74 HydrophobicContact CG-CG2 4.26Å; T71-I74 PolarHBondContact O-N 3.25Å; T71-I74 WeakPolarHBondContact OG1-CB 3.4Å; T71-I74 VanDerWaalsContact OG1-CG1 3.26Å; T71-I74 WeakPolarHBondContact OG1-CG1 3.37Å; T71-I74 PolarHBondContact OG1-N 3.41Å; T71-I74 VanDerWaalsContact OG1-N 3.16Å; I74-G77 PolarHBondContact O-N 3.39Å; I74-A78 VanDerWaalsContact O-CB 3.25Å; I74-A78 WeakPolarHBondContact O-CB 3.47Å; I74-A78 PolarHBondContact O-N 3.2Å; I74-F161 HydrophobicContact CD1-CB 4.33Å; I74-F161 HydrophobicContact CD1-CD1 3.69Å; I74-F161 HydrophobicContact CD1-CD2 4.06Å; I74-F161 HydrophobicContact CD1-CE1 3.95Å; I74-F161 HydrophobicContact CD1-CE2 4.3Å; I74-F161 HydrophobicContact CD1-CG 3.77Å; I74-F161 HydrophobicContact CD1-CZ 4.26Å; I74-F161 HydrophobicContact CG1-CB 4.01Å; I74-F161 HydrophobicContact CG1-CD1 4.2Å; I74-F161 HydrophobicContact CG1-CG 4.01Å; I74-F161 HydrophobicContact CG2-CB 4.17Å; I74-F161 HydrophobicContact CG2-CD2 4.04Å; I74-F161 HydrophobicContact CG2-CG 4.24Å
75R96.5Very high94.9Very high23 Ų2318.7 Ų18.79%0.08710%0.1CC..Hα-helixtrans-65.6-37.9175.6-66.717871.7-163.71.5111.9F66 Y70 T71 F72 Q73 A78 L79 E106 F110F66-R75 WeakPolarHBondContact CD2-O 3.3Å; F66-R75 PolarHBondContact O-NE 2.73Å; F66-R75 PolarHBondContact O-NH2 2.87Å; Y70-R75 WeakPolarHBondContact O-CD 3.1Å; T71-R75 VanDerWaalsContact O-CG 3.31Å; T71-R75 WeakPolarHBondContact O-CG 3.43Å; T71-R75 PolarHBondContact O-N 3.41Å; F72-R75 PolarHBondContact O-N 3.21Å; Q73-R75 VanDerWaalsContact C-N 3.33Å; Q73-R75 PolarHBondContact O-N 3.35Å; R75-A78 PolarHBondContact O-N 3.07Å; R75-L79 PolarHBondContact O-N 3.09Å; R75-E106 PolarHBondContact NH2-O 3.46Å; R75-F110 HydrophobicContact CB-CE1 4.39Å; R75-F110 HydrophobicContact CB-CE2 3.7Å; R75-F110 HydrophobicContact CB-CZ 3.6Å; R75-F110 VanDerWaalsContact CZ-CD2 3.46Å
76V97.4Very high95Very high0 Ų019.4 Ų19.40%010%0.103CC..Hα-helixtrans-62.9-49.6170.8170.30000111F18 V24 F72 Q73 A78 L79 Y80 F110 L114 A122F18-V76 HydrophobicContact CE1-CG1 4.31Å; F18-V76 HydrophobicContact CZ-CG1 4.38Å; V24-V76 HydrophobicContact CB-CG1 4.25Å; V24-V76 WeakPolarHBondContact O-CG1 3.38Å; F72-V76 HydrophobicContact CD1-CG2 4.18Å; F72-V76 HydrophobicContact CE1-CG2 3.91Å; F72-V76 HydrophobicContact CZ-CG2 4.29Å; F72-V76 WeakPolarHBondContact O-CG2 3.31Å; F72-V76 PolarHBondContact O-N 2.96Å; Q73-V76 PolarHBondContact O-N 3.04Å; V76-A78 VanDerWaalsContact C-N 3.27Å; V76-A78 PolarHBondContact O-N 3.33Å; V76-L79 WeakPolarHBondContact O-CB 3.44Å; V76-L79 PolarHBondContact O-N 3.3Å; V76-L79 VanDerWaalsContact O-N 3.08Å; V76-Y80 HydrophobicContact CG1-CD2 3.97Å; V76-Y80 HydrophobicContact CG1-CE1 4.25Å; V76-Y80 HydrophobicContact CG1-CE2 3.31Å; V76-Y80 VanDerWaalsContact CG1-CZ 3.46Å; V76-Y80 PolarHBondContact O-N 2.86Å; V76-F110 HydrophobicContact CG2-CZ 3.9Å; V76-L114 HydrophobicContact CG2-CD2 3.79Å; V76-A122 HydrophobicContact CG1-CB 4.39Å
77G97.3Very high95.1Very high0 Ų022.1 Ų22.10%012%0.118CC..Hα-helixtrans-59.6-37176.400000112.7F29 Q73 I74 Y80 L81F29-G77 WeakPolarHBondContact CE2-O 3.37Å; Q73-G77 PolarHBondContact O-N 3.24Å; I74-G77 PolarHBondContact O-N 3.39Å; G77-Y80 PolarHBondContact O-N 2.69Å; G77-L81 VanDerWaalsContact O-CB 3.28Å; G77-L81 WeakPolarHBondContact O-CB 3.34Å; G77-L81 PolarHBondContact O-N 3.13Å
78A97.5Very high95.2Very high0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-68.1-34.5175.300000112.9Y65 F66 I74 R75 V76 L81 L82Y65-A78 VanDerWaalsContact C-CB 3.45Å; F66-A78 HydrophobicContact CB-CB 3.92Å; I74-A78 VanDerWaalsContact O-CB 3.25Å; I74-A78 WeakPolarHBondContact O-CB 3.47Å; I74-A78 PolarHBondContact O-N 3.2Å; R75-A78 PolarHBondContact O-N 3.07Å; V76-A78 VanDerWaalsContact C-N 3.27Å; V76-A78 PolarHBondContact O-N 3.33Å; A78-L81 PolarHBondContact O-N 3.44Å; A78-L82 WeakPolarHBondContact O-CB 3.5Å; A78-L82 VanDerWaalsContact O-CG 3.27Å; A78-L82 WeakPolarHBondContact O-CG 3.26Å; A78-L82 PolarHBondContact O-N 2.91Å
79L97.9Very high95.5Very high1 Ų120.4 Ų20.41%0.00511%0.106CC..Hα-helixtrans-65.7-42.6171.3177.261.5000111.5F66 R75 V76 L82 Y83 L114 A122 I125 F126 L129F66-L79 HydrophobicContact CD2-CB 3.92Å; F66-L79 HydrophobicContact CE2-CB 3.87Å; F66-L79 HydrophobicContact CE2-CD1 4.1Å; F66-L79 HydrophobicContact CE2-CD2 4.39Å; F66-L79 HydrophobicContact CE2-CG 4.34Å; R75-L79 PolarHBondContact O-N 3.09Å; V76-L79 WeakPolarHBondContact O-CB 3.44Å; V76-L79 PolarHBondContact O-N 3.3Å; V76-L79 VanDerWaalsContact O-N 3.08Å; L79-L82 PolarHBondContact O-N 3.09Å; L79-Y83 PolarHBondContact O-N 3.28Å; L79-L114 HydrophobicContact CD2-CD1 4.01Å; L79-A122 HydrophobicContact CD2-CB 4.3Å; L79-A122 WeakPolarHBondContact CD2-O 3.38Å; L79-I125 HydrophobicContact CD1-CG2 4.48Å; L79-I125 HydrophobicContact CG-CG2 4.2Å; L79-F126 HydrophobicContact CD1-CB 4.23Å; L79-F126 HydrophobicContact CD1-CD2 4.14Å; L79-F126 HydrophobicContact CD2-CB 4.11Å; L79-L129 HydrophobicContact CD1-CD1 4.05Å
80Y98.4Very high95.7Very high0 Ų021.5 Ų21.50%011%0.108CC..Hα-helixtrans-66.3-39.4174.4-58.5-31.2000112.3F18 V24 F26 F29 V76 G77 Y83 G84 D121 A122 I125F18-Y80 HydrophobicContact CE1-CD2 4.46Å; F18-Y80 HydrophobicContact CZ-CD2 4.05Å; F18-Y80 AromaticContact CZ-CE2 3.85Å; F18-Y80 HydrophobicContact CZ-CE2 3.85Å; V24-Y80 WeakPolarHBondContact O-CE2 3.23Å; V24-Y80 PolarHBondContact O-OH 2.85Å; F26-Y80 HydrophobicContact CB-CE1 3.93Å; F26-Y80 HydrophobicContact CB-CE2 4.24Å; F26-Y80 AromaticContact CD2-CD1 3.57Å; F26-Y80 HydrophobicContact CD2-CD1 3.57Å; F26-Y80 HydrophobicContact CD2-CD2 4.17Å; F26-Y80 AromaticContact CD2-CE1 3.84Å; F26-Y80 HydrophobicContact CD2-CE1 3.84Å; F26-Y80 HydrophobicContact CD2-CE2 4.4Å; F26-Y80 AromaticContact CD2-CG 3.76Å; F26-Y80 HydrophobicContact CD2-CG 3.76Å; F26-Y80 HydrophobicContact CE2-CD1 4.25Å; F26-Y80 HydrophobicContact CE2-CG 4.36Å; F26-Y80 HydrophobicContact CG-CD1 4.43Å; F26-Y80 HydrophobicContact CG-CE1 4.27Å; F26-Y80 PolarHBondContact N-OH 3.11Å; F29-Y80 HydrophobicContact CB-CD2 3.57Å; F29-Y80 HydrophobicContact CB-CE2 4.17Å; F29-Y80 HydrophobicContact CB-CG 4.35Å; F29-Y80 VanDerWaalsContact CD1-CB 3.42Å; F29-Y80 HydrophobicContact CD1-CD2 4.19Å; F29-Y80 HydrophobicContact CD1-CG 4.17Å; F29-Y80 AromaticContact CD2-CD2 3.89Å; F29-Y80 HydrophobicContact CD2-CD2 3.89Å; F29-Y80 HydrophobicContact CD2-CG 4.41Å; F29-Y80 VanDerWaalsContact CE1-CB 3.48Å; F29-Y80 AromaticContact CG-CD2 3.6Å; F29-Y80 HydrophobicContact CG-CD2 3.6Å; F29-Y80 HydrophobicContact CG-CG 4.04Å; V76-Y80 HydrophobicContact CG1-CD2 3.97Å; V76-Y80 HydrophobicContact CG1-CE1 4.25Å; V76-Y80 HydrophobicContact CG1-CE2 3.31Å; V76-Y80 VanDerWaalsContact CG1-CZ 3.46Å; V76-Y80 PolarHBondContact O-N 2.86Å; G77-Y80 PolarHBondContact O-N 2.69Å; Y80-Y83 WeakPolarHBondContact O-CB 3.39Å; Y80-Y83 PolarHBondContact O-N 3.3Å; Y80-G84 PolarHBondContact O-N 3.06Å; Y80-D121 PolarHBondContact OH-OD2 3.35Å; Y80-A122 HydrophobicContact CE1-CB 4.02Å; Y80-I125 HydrophobicContact CD1-CD1 3.65Å; Y80-I125 HydrophobicContact CD1-CG2 4.38Å; Y80-I125 HydrophobicContact CE1-CD1 3.68Å
81L97.8Very high95.8Very high0 Ų021.1 Ų21.10%011%0.107CC..Hα-helixtrans-62.3-43.6173.4175.558.3000111.8C11 L14 L15 F29 W33 F38 A62 G77 A78 Y83 G84 L85C11-L81 HydrophobicContact CB-CD2 4.16Å; L14-L81 HydrophobicContact CD2-CD1 4.15Å; L15-L81 HydrophobicContact CD1-CD2 4.28Å; F29-L81 HydrophobicContact CZ-CB 4.04Å; W33-L81 HydrophobicContact CZ3-CD1 3.99Å; F38-L81 HydrophobicContact CD1-CD1 4.44Å; F38-L81 HydrophobicContact CE1-CD1 3.57Å; F38-L81 HydrophobicContact CZ-CD1 3.82Å; A62-L81 HydrophobicContact CB-CB 4.5Å; A62-L81 HydrophobicContact CB-CD2 3.83Å; A62-L81 HydrophobicContact CB-CG 3.75Å; G77-L81 VanDerWaalsContact O-CB 3.28Å; G77-L81 WeakPolarHBondContact O-CB 3.34Å; G77-L81 PolarHBondContact O-N 3.13Å; A78-L81 PolarHBondContact O-N 3.44Å; L81-Y83 VanDerWaalsContact C-N 3.33Å; L81-Y83 PolarHBondContact O-N 2.89Å; L81-G84 PolarHBondContact O-N 2.71Å; L81-L85 HydrophobicContact CD1-CD1 3.71Å; L81-L85 HydrophobicContact CD1-CG 3.94Å; L81-L85 HydrophobicContact CG-CD1 3.92Å; L81-L85 VanDerWaalsContact O-CB 3.31Å; L81-L85 WeakPolarHBondContact O-CB 3.42Å; L81-L85 VanDerWaalsContact O-CG 3.27Å; L81-L85 WeakPolarHBondContact O-CG 3.43Å; L81-L85 PolarHBondContact O-N 3.41Å
82L97.6Very high95.7Very high0 Ų029 Ų290%014%0.142CC..Hα-helixtrans-59.1-43.2172-78.6165.7000111.7L59 A62 W63 F66 A78 L79 Y86 I97L59-L82 HydrophobicContact CD2-CD2 4.29Å; A62-L82 HydrophobicContact CB-CD2 3.74Å; A62-L82 HydrophobicContact CB-CG 3.82Å; W63-L82 HydrophobicContact CB-CD2 4.37Å; W63-L82 HydrophobicContact CE3-CD1 3.77Å; W63-L82 HydrophobicContact CZ3-CD1 4.29Å; F66-L82 HydrophobicContact CB-CD1 4.08Å; F66-L82 HydrophobicContact CD1-CD1 4.45Å; F66-L82 HydrophobicContact CG-CD1 4.16Å; A78-L82 WeakPolarHBondContact O-CB 3.5Å; A78-L82 VanDerWaalsContact O-CG 3.27Å; A78-L82 WeakPolarHBondContact O-CG 3.26Å; A78-L82 PolarHBondContact O-N 2.91Å; L79-L82 PolarHBondContact O-N 3.09Å; L82-Y86 WeakPolarHBondContact O-CB 3.27Å; L82-Y86 PolarHBondContact O-N 3.2Å; L82-I97 HydrophobicContact CB-CD1 4.29Å; L82-I97 HydrophobicContact CD2-CD1 4.01Å; L82-I97 HydrophobicContact CD2-CG1 4.05Å; L82-I97 HydrophobicContact CD2-CG2 4.04Å
83Y98Very high95.7Very high53 Ų5330.7 Ų30.721%0.20816%0.161CC..Hα-helixtrans-65.8-44.6178.1176.7-106.9000112.9F26 L79 Y80 L81 N87 I125 K128 L129F26-Y83 HydrophobicContact CE2-CD1 4.19Å; F26-Y83 HydrophobicContact CE2-CE1 4.5Å; F26-Y83 HydrophobicContact CZ-CD1 4.06Å; F26-Y83 AromaticContact CZ-CE1 3.92Å; F26-Y83 HydrophobicContact CZ-CE1 3.92Å; L79-Y83 PolarHBondContact O-N 3.28Å; Y80-Y83 WeakPolarHBondContact O-CB 3.39Å; Y80-Y83 PolarHBondContact O-N 3.3Å; L81-Y83 VanDerWaalsContact C-N 3.33Å; L81-Y83 PolarHBondContact O-N 2.89Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.32Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.44Å; Y83-N87 WeakPolarHBondContact O-CB 3.43Å; Y83-N87 PolarHBondContact O-N 3.15Å; Y83-N87 PolarHBondContact O-ND2 3.34Å; Y83-I125 HydrophobicContact CD1-CD1 4.31Å; Y83-I125 HydrophobicContact CD1-CG1 4.39Å; Y83-I125 HydrophobicContact CD1-CG2 4.26Å; Y83-I125 HydrophobicContact CD2-CG2 3.93Å; Y83-I125 HydrophobicContact CE1-CG1 4.5Å; Y83-I125 HydrophobicContact CG-CG1 4.48Å; Y83-I125 HydrophobicContact CG-CG2 3.64Å; Y83-K128 HydrophobicContact CE2-CG 3.87Å; Y83-L129 HydrophobicContact CD2-CD2 4.15Å; Y83-L129 HydrophobicContact CD2-CG 4.12Å
84G97.1Very high95.8Very high11 Ų1133.2 Ų33.211%0.11317%0.171CC..Hα-helixtrans-60.4-56.3174.500000111.5W33 Y80 L81 Y86 N87 T88W33-G84 VanDerWaalsContact CH2-C 3.44Å; W33-G84 VanDerWaalsContact CH2-CA 3.46Å; Y80-G84 PolarHBondContact O-N 3.06Å; L81-G84 PolarHBondContact O-N 2.71Å; G84-Y86 VanDerWaalsContact C-N 3.32Å; G84-Y86 PolarHBondContact O-N 2.91Å; G84-N87 PolarHBondContact O-N 3.26Å; G84-T88 PolarHBondContact O-N 3.18Å; G84-T88 PolarHBondContact O-OG1 2.92Å
85L96.9Very high95.8Very high0 Ų034.6 Ų34.60%018%0.178CC..Hα-helixtrans-58.8-39.6179.9-72.5169.9000112.9F38 I41 F42 A58 L59 A62 L81 N87 Q89F38-L85 HydrophobicContact CE1-CD2 4.09Å; I41-L85 HydrophobicContact CG2-CD2 3.99Å; F42-L85 HydrophobicContact CE2-CD2 3.88Å; F42-L85 HydrophobicContact CZ-CB 4.45Å; F42-L85 HydrophobicContact CZ-CD2 3.69Å; A58-L85 HydrophobicContact CB-CD1 4.15Å; A58-L85 HydrophobicContact CB-CD2 4.19Å; L59-L85 HydrophobicContact CD2-CB 3.64Å; A62-L85 HydrophobicContact CB-CD1 3.87Å; L81-L85 HydrophobicContact CD1-CD1 3.71Å; L81-L85 HydrophobicContact CD1-CG 3.94Å; L81-L85 HydrophobicContact CG-CD1 3.92Å; L81-L85 VanDerWaalsContact O-CB 3.31Å; L81-L85 WeakPolarHBondContact O-CB 3.42Å; L81-L85 VanDerWaalsContact O-CG 3.27Å; L81-L85 WeakPolarHBondContact O-CG 3.43Å; L81-L85 PolarHBondContact O-N 3.41Å; L85-N87 PolarHBondContact O-N 3.41Å; L85-Q89 WeakPolarHBondContact O-CB 3.44Å; L85-Q89 PolarHBondContact O-N 3.06Å
86Y97.3Very high95.7Very high15 Ų1537.5 Ų37.56%0.05919%0.191CC..Hα-helixtrans-67.5-23178-179.4-98.6000112.9L82 G84 Q89 K94 Q95 L129 D132 A134L82-Y86 WeakPolarHBondContact O-CB 3.27Å; L82-Y86 PolarHBondContact O-N 3.2Å; G84-Y86 VanDerWaalsContact C-N 3.32Å; G84-Y86 PolarHBondContact O-N 2.91Å; Y86-Q89 VanDerWaalsContact CD2-NE2 3.28Å; Y86-Q89 WeakPolarHBondContact O-CG 3.44Å; Y86-Q89 PolarHBondContact O-NE2 3.27Å; Y86-K94 HydrophobicContact CE1-CD 4Å; Y86-K94 HydrophobicContact CE2-CB 4.33Å; Y86-K94 HydrophobicContact CE2-CD 4.16Å; Y86-K94 WeakPolarHBondContact O-CE 3.27Å; Y86-K94 PolarHBondContact O-NZ 3.34Å; Y86-Q95 WeakPolarHBondContact CD2-O 3.33Å; Y86-Q95 WeakPolarHBondContact CE2-O 3.43Å; Y86-L129 HydrophobicContact CD1-CD2 3.83Å; Y86-L129 HydrophobicContact CG-CD2 4.07Å; Y86-D132 HydrophobicContact CE1-CB 4.22Å; Y86-D132 PolarHBondContact OH-O 2.95Å; Y86-A134 HydrophobicContact CD1-CB 3.81Å; Y86-A134 HydrophobicContact CD2-CB 3.79Å; Y86-A134 HydrophobicContact CE1-CB 3.63Å; Y86-A134 HydrophobicContact CE2-CB 3.61Å; Y86-A134 HydrophobicContact CG-CB 3.9Å
87N95.4Very high95.7Very high59 Ų5937.5 Ų37.532%0.31619%0.191SC..Hα-helixtrans-101.7-32.2-177.6-73.7-51.6000114.6Y83 G84 L85 K94Y83-N87 WeakPolarHBondContact CD2-ND2 3.32Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.44Å; Y83-N87 WeakPolarHBondContact O-CB 3.43Å; Y83-N87 PolarHBondContact O-N 3.15Å; Y83-N87 PolarHBondContact O-ND2 3.34Å; G84-N87 PolarHBondContact O-N 3.26Å; L85-N87 PolarHBondContact O-N 3.41Å; N87-K94 PolarHBondContact OD1-NZ 2.71Å
88T94.8Very high95.5Very high42 Ų4240.9 Ų40.926%0.25820%0.204SC..Hα-helixtrans-84.5-7.2174.860.40000114.3W33 F42 G84 L90W33-T88 HydrophobicContact CZ2-CG2 3.9Å; F42-T88 VanDerWaalsContact CD2-O 3.32Å; F42-T88 WeakPolarHBondContact CD2-O 3.45Å; F42-T88 WeakPolarHBondContact CE2-OG1 3.5Å; G84-T88 PolarHBondContact O-N 3.18Å; G84-T88 PolarHBondContact O-OG1 2.92Å; T88-L90 PolarHBondContact O-N 2.96Å
89Q94.1Very high95.3Very high12 Ų1240.9 Ų40.96%0.05620%0.204CC..  trans-57.4132.8178.362.3174.3-56.400113.5F42 T55 L85 Y86 C91 K94 Q95F42-Q89 HydrophobicContact CD2-CB 4.41Å; F42-Q89 HydrophobicContact CE1-CB 4.46Å; F42-Q89 HydrophobicContact CE2-CB 4.03Å; F42-Q89 HydrophobicContact CZ-CB 4.06Å; T55-Q89 HydrophobicContact CG2-CB 3.71Å; T55-Q89 HydrophobicContact CG2-CG 4.46Å; L85-Q89 WeakPolarHBondContact O-CB 3.44Å; L85-Q89 PolarHBondContact O-N 3.06Å; Y86-Q89 VanDerWaalsContact CD2-NE2 3.28Å; Y86-Q89 WeakPolarHBondContact O-CG 3.44Å; Y86-Q89 PolarHBondContact O-NE2 3.27Å; Q89-C91 VanDerWaalsContact C-N 3.26Å; Q89-C91 PolarHBondContact O-N 2.94Å; Q89-K94 HydrophobicContact CG-CD 4.4Å; Q89-K94 HydrophobicContact CG-CG 4.13Å; Q89-Q95 PolarHBondContact NE2-O 3.29Å
90L92.2Very high95Very high96 Ų9640.8 Ų40.850%0.50320%0.203SC..  trans-91.927.5176.7-54.2-177.7000112.8F42 T88F42-L90 HydrophobicContact CB-CB 4.48Å; F42-L90 HydrophobicContact CB-CD1 4.17Å; F42-L90 HydrophobicContact CB-CG 3.9Å; T88-L90 PolarHBondContact O-N 2.96Å
91C91.9Very high94.6Very high6 Ų646.5 Ų46.54%0.04123%0.233CC..  trans-95.1131.8-178.3-68.40000111.5N52 T55 Q89 P93 K94 Q95N52-C91 WeakPolarHBondContact OD1-CB 3.44Å; N52-C91 PolarHBondContact OD1-SG 3.12Å; T55-C91 PolarHBondContact OG1-SG 2.71Å; Q89-C91 VanDerWaalsContact C-N 3.26Å; Q89-C91 PolarHBondContact O-N 2.94Å; C91-P93 CarbonylContact C-O 3.56Å; C91-P93 CarbonylContact O-C 3.54Å; C91-P93 VanDerWaalsContact O-C 3.29Å; C91-K94 WeakPolarHBondContact O-CA 3.43Å; C91-K94 PolarHBondContact O-N 3.34Å; C91-Q95 HydrophobicContact CB-CG 4.01Å
92Q90.4Very high94.2Very high187 Ų18753.7 Ų53.787%0.87426%0.264SS*.SBendtrans-123.1120.1172.6-67.1-174.4-300109.6
93P92.3Very high93.9Very high111 Ų11154.4 Ų54.472%0.72127%0.268SS*.SBendcis-62.5160.1-12.530.5-36.6000112.3C91 Q95C91-P93 CarbonylContact C-O 3.56Å; C91-P93 CarbonylContact O-C 3.54Å; C91-P93 VanDerWaalsContact O-C 3.29Å; P93-Q95 PolarHBondContact O-N 3Å
94K95.3Very high93.7Very high82 Ų8253.8 Ų53.836%0.35727%0.265SS..PPolyproline II helixtrans-54.7131.6174.9-80.8-164.7174-1670110.8Y86 N87 Q89 C91Y86-K94 HydrophobicContact CE1-CD 4Å; Y86-K94 HydrophobicContact CE2-CB 4.33Å; Y86-K94 HydrophobicContact CE2-CD 4.16Å; Y86-K94 WeakPolarHBondContact O-CE 3.27Å; Y86-K94 PolarHBondContact O-NZ 3.34Å; N87-K94 PolarHBondContact OD1-NZ 2.71Å; Q89-K94 HydrophobicContact CG-CD 4.4Å; Q89-K94 HydrophobicContact CG-CG 4.13Å; C91-K94 WeakPolarHBondContact O-CA 3.43Å; C91-K94 PolarHBondContact O-N 3.34Å
95Q95.6Very high93.5Very high29 Ų2957.9 Ų57.914%0.13629%0.285CS..PPolyproline II helixtrans-71.6143.2169.2-59.1-52.1-38.300110.3N52 T55 K56 Y86 Q89 C91 P93N52-Q95 VanDerWaalsContact CG-NE2 3.34Å; N52-Q95 PolarHBondContact OD1-NE2 2.77Å; T55-Q95 HydrophobicContact CG2-CB 4.01Å; T55-Q95 HydrophobicContact CG2-CG 4.37Å; K56-Q95 VanDerWaalsContact CE-CD 3.5Å; K56-Q95 HydrophobicContact CG-CB 4.37Å; K56-Q95 HydrophobicContact CG-CG 4.36Å; Y86-Q95 WeakPolarHBondContact CD2-O 3.33Å; Y86-Q95 WeakPolarHBondContact CE2-O 3.43Å; Q89-Q95 PolarHBondContact NE2-O 3.29Å; C91-Q95 HydrophobicContact CB-CG 4.01Å; P93-Q95 PolarHBondContact O-N 3Å
96K95.8Very high93.3Very high84 Ų8461.3 Ų61.337%0.36530%0.301SS..PPolyproline II helixtrans-102.8148.4-175.8-67.9-163.7177.6-1530112.2R98 R133 A134 H136K96-R98 PolarHBondContact O-N 3.36Å; K96-R133 WeakPolarHBondContact CD-O 3.42Å; K96-R133 WeakPolarHBondContact CE-O 3.48Å; K96-R133 PolarHBondContact NZ-O 3.48Å; K96-A134 CarbonylContact C-O 3.56Å; K96-A134 VanDerWaalsContact CA-O 3.25Å; K96-A134 WeakPolarHBondContact CA-O 3.35Å; K96-A134 WeakPolarHBondContact CB-O 3.19Å; K96-H136 HydrophobicContact CB-CB 3.69Å; K96-H136 HydrophobicContact CD-CB 4.04Å
97I95.8Very high93.1Very high0 Ų060.6 Ų60.60%030%0.298CS..EExtended strand (participates in β ladder)trans-66.8118.5173.6-58.5163.7000107.8L59 W63 L82 V99 L129 A134 F135 H136L59-I97 HydrophobicContact CD1-CG1 4.25Å; L59-I97 HydrophobicContact CD2-CG1 4.09Å; W63-I97 HydrophobicContact CD2-CG2 4.1Å; W63-I97 HydrophobicContact CE3-CG2 3.47Å; W63-I97 VanDerWaalsContact CE3-CG2 3.47Å; W63-I97 HydrophobicContact CZ3-CG2 4.03Å; L82-I97 HydrophobicContact CB-CD1 4.29Å; L82-I97 HydrophobicContact CD2-CD1 4.01Å; L82-I97 HydrophobicContact CD2-CG1 4.05Å; L82-I97 HydrophobicContact CD2-CG2 4.04Å; I97-V99 HydrophobicContact CG2-CG2 4.29Å; I97-V99 PolarHBondContact O-N 3.42Å; I97-L129 HydrophobicContact CD1-CD1 4.39Å; I97-L129 HydrophobicContact CD1-CD2 4.28Å; I97-A134 HydrophobicContact CD1-CB 4.27Å; I97-A134 PolarHBondContact N-O 3Å; I97-F135 HydrophobicContact CB-CD1 3.88Å; I97-F135 HydrophobicContact CB-CE1 4.27Å; I97-F135 HydrophobicContact CD1-CD1 4.1Å; I97-F135 HydrophobicContact CD1-CE1 3.75Å; I97-F135 HydrophobicContact CD1-CZ 4.44Å; I97-F135 HydrophobicContact CG2-CD1 3.94Å; I97-F135 HydrophobicContact CG2-CE1 4.12Å; I97-H136 PolarHBondContact O-N 3.42Å
98R93.9Very high93.1Very high70 Ų7061 Ų6126%0.26430%0.3SS..EExtended strand (participates in β ladder)trans-85.7109.6-179.2-73.4-179.558.7915.1110.4K96 M140 P141K96-R98 PolarHBondContact O-N 3.36Å; R98-M140 PolarHBondContact NH2-O 3.44Å; R98-P141 WeakPolarHBondContact CD-O 3.24Å; R98-P141 PolarHBondContact NE-O 3.24Å
99V93.1Very high93.2Very high0 Ų064.2 Ų64.20%031%0.31CS..EExtended strand (participates in β ladder)trans-102.6136.8-179.9179.50000108.7W63 I97 W104 F135 H136 F137 T138W63-V99 HydrophobicContact CE3-CG2 4.41Å; W63-V99 HydrophobicContact CH2-CB 4.42Å; W63-V99 HydrophobicContact CH2-CG1 4.09Å; W63-V99 HydrophobicContact CH2-CG2 3.6Å; W63-V99 HydrophobicContact CZ2-CB 4.18Å; W63-V99 HydrophobicContact CZ2-CG1 3.74Å; W63-V99 HydrophobicContact CZ2-CG2 3.78Å; W63-V99 HydrophobicContact CZ3-CG2 3.95Å; I97-V99 HydrophobicContact CG2-CG2 4.29Å; I97-V99 PolarHBondContact O-N 3.42Å; V99-W104 HydrophobicContact CG1-CE3 3.96Å; V99-F135 HydrophobicContact CG2-CB 4.27Å; V99-F135 HydrophobicContact CG2-CD1 3.68Å; V99-F135 HydrophobicContact CG2-CG 4.34Å; V99-H136 PolarHBondContact N-O 3.4Å; V99-F137 HydrophobicContact CB-CD1 4.27Å; V99-F137 HydrophobicContact CG1-CD1 4.15Å; V99-F137 HydrophobicContact CG1-CE1 4.2Å; V99-T138 PolarHBondContact O-N 2.84Å; V99-T138 PolarHBondContact O-OG1 3.18Å
100A91.9Very high93.3Very high0 Ų063.7 Ų63.70%031%0.308CS..EExtended strand (participates in β ladder)trans-89.8138.6164.800000110.4K102 D103 T138 P141A100-K102 HydrophobicContact CB-CG 4.18Å; A100-K102 PolarHBondContact O-N 3.17Å; A100-D103 WeakPolarHBondContact O-CB 3.44Å; A100-D103 PolarHBondContact O-N 3.08Å; A100-T138 WeakPolarHBondContact CA-O 3.49Å; A100-P141 HydrophobicContact CB-CG 3.71Å
101L89.4Confident93.4Very high120 Ų12061.4 Ų61.463%0.62830%0.295SS*.G310 helixtrans-58.7-37-174-165.566.2000112.4D103 W104 F137 T138L101-D103 PolarHBondContact O-N 2.9Å; L101-D103 VanDerWaalsContact O-N 3.15Å; L101-W104 VanDerWaalsContact O-CB 3.26Å; L101-W104 WeakPolarHBondContact O-CB 3.4Å; L101-W104 PolarHBondContact O-N 3.3Å; L101-W104 VanDerWaalsContact O-N 3.07Å; L101-F137 HydrophobicContact CD1-CD1 4.37Å; L101-T138 PolarHBondContact N-O 2.89Å
102K90.3Very high93.6Very high150 Ų15065.6 Ų65.665%0.65231%0.314SS*.G310 helixtrans-61.5-17.2175.669.4161.7-162.776.70115.5A100A100-K102 HydrophobicContact CB-CG 4.18Å; A100-K102 PolarHBondContact O-N 3.17Å
103D91.1Very high93.8Very high16 Ų1659.9 Ų59.99%0.08629%0.289CS..G310 helixtrans-92.3-14.5179.3-58.2-32.2000110.8L67 A100 L101 D105 E106 V107L67-D103 HydrophobicContact CD1-CB 4.15Å; L67-D103 HydrophobicContact CD2-CB 4.21Å; A100-D103 WeakPolarHBondContact O-CB 3.44Å; A100-D103 PolarHBondContact O-N 3.08Å; L101-D103 PolarHBondContact O-N 2.9Å; L101-D103 VanDerWaalsContact O-N 3.15Å; D103-D105 PolarHBondContact O-N 2.95Å; D103-E106 PolarHBondContact O-N 3.26Å; D103-V107 WeakPolarHBondContact O-CG2 3.42Å; D103-V107 PolarHBondContact O-N 2.93Å
104W92.3Very high94Very high39 Ų3954.6 Ų54.615%0.14826%0.255CS..Hα-helixtrans-69-31.6-166.1-171.7-113000113.9V99 L101 E106 V107 L108 F126 F137V99-W104 HydrophobicContact CG1-CE3 3.96Å; L101-W104 VanDerWaalsContact O-CB 3.26Å; L101-W104 WeakPolarHBondContact O-CB 3.4Å; L101-W104 PolarHBondContact O-N 3.3Å; L101-W104 VanDerWaalsContact O-N 3.07Å; W104-E106 VanDerWaalsContact C-N 3.3Å; W104-E106 PolarHBondContact O-N 3Å; W104-V107 HydrophobicContact CD2-CB 4.46Å; W104-V107 HydrophobicContact CE3-CB 3.92Å; W104-V107 HydrophobicContact CE3-CG1 3.99Å; W104-V107 HydrophobicContact CE3-CG2 4.08Å; W104-V107 HydrophobicContact CH2-CG1 4.45Å; W104-V107 HydrophobicContact CZ3-CB 4.29Å; W104-V107 HydrophobicContact CZ3-CG1 3.83Å; W104-V107 WeakPolarHBondContact O-CA 3.47Å; W104-V107 VanDerWaalsContact O-CB 3.27Å; W104-V107 WeakPolarHBondContact O-CB 3.49Å; W104-V107 PolarHBondContact O-N 3.48Å; W104-L108 HydrophobicContact CZ2-CD2 4.24Å; W104-L108 PolarHBondContact O-N 3.4Å; W104-F126 HydrophobicContact CH2-CE2 4.4Å; W104-F126 AromaticContact CH2-CZ 3.78Å; W104-F126 HydrophobicContact CH2-CZ 3.78Å; W104-F126 HydrophobicContact CZ2-CZ 4.48Å; W104-F126 HydrophobicContact CZ3-CZ 4.21Å; W104-F137 AromaticContact CD2-CE1 3.69Å; W104-F137 HydrophobicContact CD2-CE1 3.69Å; W104-F137 HydrophobicContact CD2-CZ 4.24Å; W104-F137 AromaticContact CE2-CE1 3.97Å; W104-F137 AromaticContact CE3-CE1 3.66Å; W104-F137 HydrophobicContact CE3-CE1 3.66Å; W104-F137 HydrophobicContact CE3-CZ 4.22Å; W104-F137 HydrophobicContact CG-CE1 4.24Å; W104-F137 HydrophobicContact CH2-CE1 4.18Å; W104-F137 AromaticContact CH2-CZ 3.88Å; W104-F137 HydrophobicContact CH2-CZ 3.88Å; W104-F137 HydrophobicContact CZ2-CE1 4.22Å; W104-F137 AromaticContact CZ2-CZ 3.91Å; W104-F137 HydrophobicContact CZ2-CZ 3.91Å; W104-F137 AromaticContact CZ3-CE1 3.91Å; W104-F137 HydrophobicContact CZ3-CE1 3.91Å; W104-F137 HydrophobicContact CZ3-CZ 4.04Å
105D92.9Very high94Very high98 Ų9853.3 Ų53.352%0.52425%0.253SS..Hα-helixtrans-66.5-34.8178.2-53.7-46.2000111.3D103 V107 L108 K109D103-D105 PolarHBondContact O-N 2.95Å; D105-V107 VanDerWaalsContact C-N 3.25Å; D105-V107 PolarHBondContact O-N 3.28Å; D105-L108 PolarHBondContact O-N 2.87Å; D105-K109 VanDerWaalsContact O-CG 3.29Å; D105-K109 WeakPolarHBondContact O-CG 3.4Å; D105-K109 PolarHBondContact O-N 2.85Å
106E92.9Very high94Very high71 Ų7157 Ų5733%0.33227%0.274SS..Hα-helixtrans-70.1-20.5171.8-62.3-56132.100113.3R75 D103 W104 K109 F110R75-E106 PolarHBondContact NH2-O 3.46Å; D103-E106 PolarHBondContact O-N 3.26Å; W104-E106 VanDerWaalsContact C-N 3.3Å; W104-E106 PolarHBondContact O-N 3Å; E106-K109 IonicContact OE1-NZ 2.85Å; E106-K109 PolarHBondContact OE1-NZ 3.08Å; E106-F110 WeakPolarHBondContact O-CB 3.33Å; E106-F110 PolarHBondContact O-N 3.32Å
107V94.6Very high93.9Very high1 Ų155 Ų551%0.00627%0.274CS..Hα-helixtrans-79.7-39.7172-1770000110.6W63 F66 L67 D103 W104 D105 F110 Q111 F126W63-V107 HydrophobicContact CH2-CG2 3.72Å; W63-V107 HydrophobicContact CZ2-CG2 3.94Å; F66-V107 HydrophobicContact CE1-CB 4.33Å; F66-V107 HydrophobicContact CE1-CG1 3.79Å; F66-V107 HydrophobicContact CE1-CG2 3.83Å; F66-V107 HydrophobicContact CZ-CG1 3.97Å; L67-V107 HydrophobicContact CD2-CG2 4.38Å; D103-V107 WeakPolarHBondContact O-CG2 3.42Å; D103-V107 PolarHBondContact O-N 2.93Å; W104-V107 HydrophobicContact CD2-CB 4.46Å; W104-V107 HydrophobicContact CE3-CB 3.92Å; W104-V107 HydrophobicContact CE3-CG1 3.99Å; W104-V107 HydrophobicContact CE3-CG2 4.08Å; W104-V107 HydrophobicContact CH2-CG1 4.45Å; W104-V107 HydrophobicContact CZ3-CB 4.29Å; W104-V107 HydrophobicContact CZ3-CG1 3.83Å; W104-V107 WeakPolarHBondContact O-CA 3.47Å; W104-V107 VanDerWaalsContact O-CB 3.27Å; W104-V107 WeakPolarHBondContact O-CB 3.49Å; W104-V107 PolarHBondContact O-N 3.48Å; D105-V107 VanDerWaalsContact C-N 3.25Å; D105-V107 PolarHBondContact O-N 3.28Å; V107-F110 PolarHBondContact O-N 3.07Å; V107-Q111 PolarHBondContact O-N 3.27Å; V107-F126 HydrophobicContact CG1-CD2 4.47Å; V107-F126 HydrophobicContact CG1-CE2 3.4Å; V107-F126 HydrophobicContact CG1-CZ 3.45Å; V107-F126 VanDerWaalsContact CG1-CZ 3.45Å
108L94.9Very high93.9Very high67 Ų6761.5 Ų61.535%0.35130%0.304SS..Hα-helixtrans-70-41.3176.8-66.6178.9000111.9W104 D105 Q111 Q112W104-L108 HydrophobicContact CZ2-CD2 4.24Å; W104-L108 PolarHBondContact O-N 3.4Å; D105-L108 PolarHBondContact O-N 2.87Å; L108-Q111 WeakPolarHBondContact O-CB 3.47Å; L108-Q111 PolarHBondContact O-N 2.83Å; L108-Q112 PolarHBondContact O-N 3.32Å
109K95.8Very high94Very high110 Ų11060.3 Ų60.348%0.47830%0.301SS..Hα-helixtrans-54.9-52.8169.3-70.9170.3-169.1175.90110.8D105 E106 Q111 Q112 D113D105-K109 VanDerWaalsContact O-CG 3.29Å; D105-K109 WeakPolarHBondContact O-CG 3.4Å; D105-K109 PolarHBondContact O-N 2.85Å; E106-K109 IonicContact OE1-NZ 2.85Å; E106-K109 PolarHBondContact OE1-NZ 3.08Å; K109-Q111 VanDerWaalsContact C-N 3.31Å; K109-Q111 PolarHBondContact O-N 2.89Å; K109-Q112 CarbonylContact O-C 3.56Å; K109-Q112 WeakPolarHBondContact O-CA 3.43Å; K109-Q112 WeakPolarHBondContact O-CB 3.4Å; K109-Q112 PolarHBondContact O-N 3.32Å; K109-D113 VanDerWaalsContact O-CG 3.26Å; K109-D113 PolarHBondContact O-N 3.45Å
110F95.8Very high94.2Very high1 Ų166.1 Ų66.10%0.00433%0.327CS..Hα-helixtrans-60.1-37.9178.2-171.7-106.7000113.1F66 F72 R75 V76 E106 V107 Q112 D113 L114F66-F110 HydrophobicContact CD2-CE1 4.33Å; F66-F110 AromaticContact CE2-CD1 3.59Å; F66-F110 HydrophobicContact CE2-CD1 3.59Å; F66-F110 AromaticContact CE2-CE1 3.59Å; F66-F110 HydrophobicContact CE2-CE1 3.59Å; F66-F110 AromaticContact CZ-CD1 3.92Å; F66-F110 HydrophobicContact CZ-CD1 3.92Å; F66-F110 HydrophobicContact CZ-CE1 4.37Å; F72-F110 HydrophobicContact CD2-CD2 4.36Å; F72-F110 AromaticContact CD2-CE2 3.65Å; F72-F110 HydrophobicContact CD2-CE2 3.65Å; F72-F110 HydrophobicContact CE2-CD2 4.33Å; F72-F110 AromaticContact CE2-CE2 3.73Å; F72-F110 HydrophobicContact CE2-CE2 3.73Å; F72-F110 HydrophobicContact CE2-CZ 4.39Å; F72-F110 HydrophobicContact CG-CE2 4.49Å; R75-F110 HydrophobicContact CB-CE1 4.39Å; R75-F110 HydrophobicContact CB-CE2 3.7Å; R75-F110 HydrophobicContact CB-CZ 3.6Å; R75-F110 VanDerWaalsContact CZ-CD2 3.46Å; V76-F110 HydrophobicContact CG2-CZ 3.9Å; E106-F110 WeakPolarHBondContact O-CB 3.33Å; E106-F110 PolarHBondContact O-N 3.32Å; V107-F110 PolarHBondContact O-N 3.07Å; F110-Q112 VanDerWaalsContact C-N 3.26Å; F110-Q112 PolarHBondContact O-N 3.24Å; F110-D113 WeakPolarHBondContact CA-OD2 3.28Å; F110-D113 PolarHBondContact O-N 3.45Å; F110-L114 HydrophobicContact CD1-CD1 4.08Å; F110-L114 HydrophobicContact CD1-CG 4.2Å; F110-L114 HydrophobicContact CE1-CD1 3.85Å; F110-L114 HydrophobicContact CE1-CD2 3.95Å; F110-L114 HydrophobicContact CE1-CG 3.96Å; F110-L114 HydrophobicContact CZ-CD2 3.9Å; F110-L114 HydrophobicContact CZ-CG 4.31Å; F110-L114 VanDerWaalsContact O-CG 3.3Å; F110-L114 WeakPolarHBondContact O-CG 3.2Å; F110-L114 PolarHBondContact O-N 3.02Å
111Q95.2Very high94.3Very high47 Ų4767.5 Ų67.522%0.2233%0.334CS..Hα-helixtrans-60.3-37.6172.6-168.1-142.9-9500111.9V107 L108 K109 V115 F126V107-Q111 PolarHBondContact O-N 3.27Å; L108-Q111 WeakPolarHBondContact O-CB 3.47Å; L108-Q111 PolarHBondContact O-N 2.83Å; K109-Q111 VanDerWaalsContact C-N 3.31Å; K109-Q111 PolarHBondContact O-N 2.89Å; Q111-V115 WeakPolarHBondContact O-CG2 3.4Å; Q111-V115 PolarHBondContact O-N 3.41Å; Q111-F126 HydrophobicContact CB-CD1 4.26Å; Q111-F126 HydrophobicContact CB-CE1 4.14Å; Q111-F126 HydrophobicContact CG-CD1 3.68Å; Q111-F126 HydrophobicContact CG-CE1 3.87Å
112Q96.1Very high94.7Very high95 Ų9561.8 Ų61.844%0.44430%0.304SS..Hα-helixtrans-70.4-41.3174.8-166.260.646.300111.4L108 K109 F110 L114 V115 N116L108-Q112 PolarHBondContact O-N 3.32Å; K109-Q112 CarbonylContact O-C 3.56Å; K109-Q112 WeakPolarHBondContact O-CA 3.43Å; K109-Q112 WeakPolarHBondContact O-CB 3.4Å; K109-Q112 PolarHBondContact O-N 3.32Å; F110-Q112 VanDerWaalsContact C-N 3.26Å; F110-Q112 PolarHBondContact O-N 3.24Å; Q112-L114 VanDerWaalsContact C-N 3.33Å; Q112-L114 PolarHBondContact O-N 2.91Å; Q112-V115 PolarHBondContact O-N 2.89Å; Q112-V115 VanDerWaalsContact O-N 3.1Å; Q112-N116 PolarHBondContact NE2-OD1 3.22Å; Q112-N116 WeakPolarHBondContact O-CB 3.25Å; Q112-N116 PolarHBondContact O-N 2.92Å; Q112-N116 PolarHBondContact O-OD1 3.45Å
113D95.4Very high95Very high66 Ų6655.4 Ų55.435%0.35328%0.279SS..Hα-helixtrans-57.1-44.5175.4-56.4-32.3000111.4F72 K109 F110 V115 N116 A117F72-D113 HydrophobicContact CE2-CB 4.06Å; K109-D113 VanDerWaalsContact O-CG 3.26Å; K109-D113 PolarHBondContact O-N 3.45Å; F110-D113 WeakPolarHBondContact CA-OD2 3.28Å; F110-D113 PolarHBondContact O-N 3.45Å; D113-V115 VanDerWaalsContact C-N 3.31Å; D113-V115 PolarHBondContact O-N 2.92Å; D113-N116 PolarHBondContact O-N 3.4Å; D113-A117 VanDerWaalsContact O-CB 3.29Å; D113-A117 WeakPolarHBondContact O-CB 3.26Å; D113-A117 PolarHBondContact O-N 3.16Å
114L95.7Very high95.3Very high1 Ų161.3 Ų61.31%0.00530%0.301CS..Hα-helixtrans-59.1-38.8175.3-67.8177.6000113F72 V76 L79 F110 Q112 Q118 H119 A122 A123F72-L114 HydrophobicContact CE2-CD2 4.21Å; F72-L114 HydrophobicContact CZ-CD2 3.77Å; V76-L114 HydrophobicContact CG2-CD2 3.79Å; L79-L114 HydrophobicContact CD2-CD1 4.01Å; F110-L114 HydrophobicContact CD1-CD1 4.08Å; F110-L114 HydrophobicContact CD1-CG 4.2Å; F110-L114 HydrophobicContact CE1-CD1 3.85Å; F110-L114 HydrophobicContact CE1-CD2 3.95Å; F110-L114 HydrophobicContact CE1-CG 3.96Å; F110-L114 HydrophobicContact CZ-CD2 3.9Å; F110-L114 HydrophobicContact CZ-CG 4.31Å; F110-L114 VanDerWaalsContact O-CG 3.3Å; F110-L114 WeakPolarHBondContact O-CG 3.2Å; F110-L114 PolarHBondContact O-N 3.02Å; Q112-L114 VanDerWaalsContact C-N 3.33Å; Q112-L114 PolarHBondContact O-N 2.91Å; L114-Q118 PolarHBondContact O-N 2.78Å; L114-H119 HydrophobicContact CD2-CB 4.47Å; L114-H119 PolarHBondContact O-N 3.4Å; L114-A122 HydrophobicContact CD1-CB 3.83Å; L114-A122 HydrophobicContact CD2-CB 3.67Å; L114-A122 HydrophobicContact CG-CB 4.29Å; L114-A123 HydrophobicContact CB-CB 4.34Å
115V95.8Very high95.6Very high54 Ų5459.7 Ų59.733%0.32730%0.295SS..Hα-helixtrans-75.8-43.2179.9171.70000110.8Q111 Q112 D113 A117 Q118 A123Q111-V115 WeakPolarHBondContact O-CG2 3.4Å; Q111-V115 PolarHBondContact O-N 3.41Å; Q112-V115 PolarHBondContact O-N 2.89Å; Q112-V115 VanDerWaalsContact O-N 3.1Å; D113-V115 VanDerWaalsContact C-N 3.31Å; D113-V115 PolarHBondContact O-N 2.92Å; V115-A117 VanDerWaalsContact C-N 3.31Å; V115-A117 PolarHBondContact O-N 3.32Å; V115-Q118 PolarHBondContact O-N 3.46Å; V115-A123 HydrophobicContact CG2-CB 4.04Å
116N96Very high95.8Very high106 Ų10655.2 Ų55.257%0.56727%0.271SS*.Hα-helixtrans-61-40.2176.8-66.8-4.7000111.4Q112 D113 Q118Q112-N116 PolarHBondContact NE2-OD1 3.22Å; Q112-N116 WeakPolarHBondContact O-CB 3.25Å; Q112-N116 PolarHBondContact O-N 2.92Å; Q112-N116 PolarHBondContact O-OD1 3.45Å; D113-N116 PolarHBondContact O-N 3.4Å; N116-Q118 PolarHBondContact O-N 2.9Å
117A93.8Very high95.9Very high43 Ų4360.1 Ų60.136%0.35529%0.287SS..THydrogen-bonded Turntrans-82.27.6175.300000114.1F72 D113 V115 H119F72-A117 HydrophobicContact CZ-CB 4.46Å; D113-A117 VanDerWaalsContact O-CB 3.29Å; D113-A117 WeakPolarHBondContact O-CB 3.26Å; D113-A117 PolarHBondContact O-N 3.16Å; V115-A117 VanDerWaalsContact C-N 3.31Å; V115-A117 PolarHBondContact O-N 3.32Å; A117-H119 PolarHBondContact O-CE1 2.74Å; A117-H119 VanDerWaalsContact O-CE1 3.26Å; A117-H119 PolarHBondContact O-N 3.16Å; A117-H119 VanDerWaalsContact O-N 3.13Å; A117-H119 PolarHBondContact O-ND1 3.3Å
118Q95.5Very high96.1Very high137 Ų13763 Ų6364%0.6430%0.299SS*.THydrogen-bonded Turntrans59.122177.4-53.5-174.95.800115.2L114 V115 N116 F120L114-Q118 PolarHBondContact O-N 2.78Å; V115-Q118 PolarHBondContact O-N 3.46Å; N116-Q118 PolarHBondContact O-N 2.9Å; Q118-F120 HydrophobicContact CB-CD2 4.37Å; Q118-F120 HydrophobicContact CB-CE2 3.68Å; Q118-F120 HydrophobicContact CB-CZ 3.89Å; Q118-F120 HydrophobicContact CG-CE2 4.22Å; Q118-F120 HydrophobicContact CG-CZ 4.04Å; Q118-F120 WeakPolarHBondContact O-CD2 3.07Å; Q118-F120 PolarHBondContact O-N 3.11Å
119H96.1Very high96.2Very high45 Ų4559.8 Ų59.821%0.20828%0.283CS..  trans-8464.2176-58-35.2000110.6F72 L114 A117 D121 A122 A123F72-H119 AromaticContact CE1-CD2 3.51Å; F72-H119 AromaticContact CE1-NE2 3.9Å; F72-H119 AromaticContact CZ-CD2 3.72Å; L114-H119 HydrophobicContact CD2-CB 4.47Å; L114-H119 PolarHBondContact O-N 3.4Å; A117-H119 PolarHBondContact O-CE1 2.74Å; A117-H119 VanDerWaalsContact O-CE1 3.26Å; A117-H119 PolarHBondContact O-N 3.16Å; A117-H119 VanDerWaalsContact O-N 3.13Å; A117-H119 PolarHBondContact O-ND1 3.3Å; H119-D121 PolarHBondContact O-N 3.35Å; H119-A122 HydrophobicContact CB-CB 4.48Å; H119-A122 PolarHBondContact O-N 3.29Å; H119-A123 PolarHBondContact O-N 2.95Å
120F95.6Very high96.2Very high121 Ų12160.5 Ų60.553%0.53128%0.282SS..Hα-helixtrans-64.5-21.5-173.1-58.3-59.9000114.1Q118 Y124Q118-F120 HydrophobicContact CB-CD2 4.37Å; Q118-F120 HydrophobicContact CB-CE2 3.68Å; Q118-F120 HydrophobicContact CB-CZ 3.89Å; Q118-F120 HydrophobicContact CG-CE2 4.22Å; Q118-F120 HydrophobicContact CG-CZ 4.04Å; Q118-F120 WeakPolarHBondContact O-CD2 3.07Å; Q118-F120 PolarHBondContact O-N 3.11Å; F120-Y124 WeakPolarHBondContact O-CB 3.21Å; F120-Y124 PolarHBondContact O-N 3.07Å
121D95.5Very high96.3Very high30 Ų3066.2 Ų66.216%0.1631%0.312CS..Hα-helixtrans-68.1-47.1172.553.4-21.9000111.9R25 F26 Y80 H119 Y124 I125R25-D121 WeakPolarHBondContact CA-OD2 3.48Å; R25-D121 IonicContact CZ-OD1 3.81Å; R25-D121 IonicContact CZ-OD2 3.03Å; R25-D121 IonicContact NE-OD2 3.24Å; R25-D121 IonicContact NH1-OD1 3.73Å; R25-D121 PolarHBondContact NH1-OD1 2.94Å; R25-D121 IonicContact NH1-OD2 3.41Å; R25-D121 PolarHBondContact NH1-OD2 3.43Å; F26-D121 HydrophobicContact CB-CB 4.2Å; F26-D121 PolarHBondContact N-OD2 3.45Å; Y80-D121 PolarHBondContact OH-OD2 3.35Å; H119-D121 PolarHBondContact O-N 3.35Å; D121-Y124 PolarHBondContact O-N 2.89Å; D121-I125 WeakPolarHBondContact O-CB 3.46Å; D121-I125 WeakPolarHBondContact O-CG1 3.29Å; D121-I125 PolarHBondContact O-N 2.81Å
122A96.6Very high96.4Very high0 Ų066.3 Ų66.30%031%0.314CS..Hα-helixtrans-63.3-44.5171.300000112V76 L79 Y80 L114 H119 Y124 I125 F126V76-A122 HydrophobicContact CG1-CB 4.39Å; L79-A122 HydrophobicContact CD2-CB 4.3Å; L79-A122 WeakPolarHBondContact CD2-O 3.38Å; Y80-A122 HydrophobicContact CE1-CB 4.02Å; L114-A122 HydrophobicContact CD1-CB 3.83Å; L114-A122 HydrophobicContact CD2-CB 3.67Å; L114-A122 HydrophobicContact CG-CB 4.29Å; H119-A122 HydrophobicContact CB-CB 4.48Å; H119-A122 PolarHBondContact O-N 3.29Å; A122-Y124 VanDerWaalsContact C-N 3.34Å; A122-Y124 PolarHBondContact O-N 3.28Å; A122-I125 PolarHBondContact O-N 2.88Å; A122-F126 PolarHBondContact O-N 3.33Å
123A97.1Very high96.4Very high15 Ų1571 Ų7112%0.12433%0.328CS..Hα-helixtrans-62.2-40.6176.900000112.2L114 V115 H119 F126 R127L114-A123 HydrophobicContact CB-CB 4.34Å; V115-A123 HydrophobicContact CG2-CB 4.04Å; H119-A123 PolarHBondContact O-N 2.95Å; A123-F126 PolarHBondContact O-N 3.19Å; A123-R127 WeakPolarHBondContact O-CB 3.28Å; A123-R127 PolarHBondContact O-N 3.04Å
124Y97.5Very high96.4Very high141 Ų14167.8 Ų67.855%0.55331%0.311SS*.Hα-helixtrans-63-44.8173.8172.6-101.7000111.9F120 D121 A122 F126 R127 K128F120-Y124 WeakPolarHBondContact O-CB 3.21Å; F120-Y124 PolarHBondContact O-N 3.07Å; D121-Y124 PolarHBondContact O-N 2.89Å; A122-Y124 VanDerWaalsContact C-N 3.34Å; A122-Y124 PolarHBondContact O-N 3.28Å; Y124-F126 VanDerWaalsContact C-N 3.35Å; Y124-F126 PolarHBondContact O-N 3.21Å; Y124-R127 CarbonylContact O-C 3.13Å; Y124-R127 WeakPolarHBondContact O-CB 3.5Å; Y124-R127 PolarHBondContact O-N 3.08Å; Y124-R127 VanDerWaalsContact O-N 3.17Å; Y124-K128 WeakPolarHBondContact O-CB 3.49Å; Y124-K128 PolarHBondContact O-N 3.05Å
125I97.8Very high96.5Very high4 Ų468.6 Ų68.62%0.02131%0.314CS..Hα-helixtrans-63.2-39.9178.7-78.7168.8000111.7F26 L79 Y80 Y83 D121 A122 K128 L129F26-I125 HydrophobicContact CB-CD1 4.16Å; F26-I125 HydrophobicContact CD1-CD1 3.87Å; F26-I125 HydrophobicContact CD2-CD1 3.34Å; F26-I125 HydrophobicContact CE1-CD1 4.05Å; F26-I125 HydrophobicContact CE2-CD1 3.55Å; F26-I125 HydrophobicContact CG-CD1 3.51Å; F26-I125 HydrophobicContact CZ-CD1 3.9Å; L79-I125 HydrophobicContact CD1-CG2 4.48Å; L79-I125 HydrophobicContact CG-CG2 4.2Å; Y80-I125 HydrophobicContact CD1-CD1 3.65Å; Y80-I125 HydrophobicContact CD1-CG2 4.38Å; Y80-I125 HydrophobicContact CE1-CD1 3.68Å; Y83-I125 HydrophobicContact CD1-CD1 4.31Å; Y83-I125 HydrophobicContact CD1-CG1 4.39Å; Y83-I125 HydrophobicContact CD1-CG2 4.26Å; Y83-I125 HydrophobicContact CD2-CG2 3.93Å; Y83-I125 HydrophobicContact CE1-CG1 4.5Å; Y83-I125 HydrophobicContact CG-CG1 4.48Å; Y83-I125 HydrophobicContact CG-CG2 3.64Å; D121-I125 WeakPolarHBondContact O-CB 3.46Å; D121-I125 WeakPolarHBondContact O-CG1 3.29Å; D121-I125 PolarHBondContact O-N 2.81Å; A122-I125 PolarHBondContact O-N 2.88Å; I125-K128 PolarHBondContact O-N 3.47Å; I125-L129 PolarHBondContact O-N 3.4Å
126F97.1Very high96.4Very high4 Ų470.2 Ų70.22%0.01832%0.318CS..Hα-helixtrans-63.4-44.8171.8-178-104.9000112.3L79 W104 V107 Q111 A122 A123 Y124 K128 L129 R130 F135L79-F126 HydrophobicContact CD1-CB 4.23Å; L79-F126 HydrophobicContact CD1-CD2 4.14Å; L79-F126 HydrophobicContact CD2-CB 4.11Å; W104-F126 HydrophobicContact CH2-CE2 4.4Å; W104-F126 AromaticContact CH2-CZ 3.78Å; W104-F126 HydrophobicContact CH2-CZ 3.78Å; W104-F126 HydrophobicContact CZ2-CZ 4.48Å; W104-F126 HydrophobicContact CZ3-CZ 4.21Å; V107-F126 HydrophobicContact CG1-CD2 4.47Å; V107-F126 HydrophobicContact CG1-CE2 3.4Å; V107-F126 HydrophobicContact CG1-CZ 3.45Å; V107-F126 VanDerWaalsContact CG1-CZ 3.45Å; Q111-F126 HydrophobicContact CB-CD1 4.26Å; Q111-F126 HydrophobicContact CB-CE1 4.14Å; Q111-F126 HydrophobicContact CG-CD1 3.68Å; Q111-F126 HydrophobicContact CG-CE1 3.87Å; A122-F126 PolarHBondContact O-N 3.33Å; A123-F126 PolarHBondContact O-N 3.19Å; Y124-F126 VanDerWaalsContact C-N 3.35Å; Y124-F126 PolarHBondContact O-N 3.21Å; F126-K128 VanDerWaalsContact C-N 3.32Å; F126-K128 PolarHBondContact O-N 3.08Å; F126-L129 PolarHBondContact O-N 3.4Å; F126-R130 VanDerWaalsContact CE1-CD 3.43Å; F126-R130 HydrophobicContact CE1-CG 4.23Å; F126-R130 HydrophobicContact CZ-CG 4.32Å; F126-R130 PolarHBondContact O-N 3.49Å; F126-R130 VanDerWaalsContact O-N 3.08Å; F126-F135 HydrophobicContact CD2-CE2 4.5Å; F126-F135 HydrophobicContact CD2-CZ 4.15Å; F126-F135 HydrophobicContact CE2-CE2 4.14Å; F126-F135 AromaticContact CE2-CZ 3.9Å; F126-F135 HydrophobicContact CE2-CZ 3.9Å
127R97.1Very high96.3Very high175 Ų17570 Ų7066%0.6631%0.312SS*.Hα-helixtrans-59.7-40.8174.7-177.9174.3177.1144.5-3.1111.7A123 Y124 R130 L131A123-R127 WeakPolarHBondContact O-CB 3.28Å; A123-R127 PolarHBondContact O-N 3.04Å; Y124-R127 CarbonylContact O-C 3.13Å; Y124-R127 WeakPolarHBondContact O-CB 3.5Å; Y124-R127 PolarHBondContact O-N 3.08Å; Y124-R127 VanDerWaalsContact O-N 3.17Å; R127-R130 WeakPolarHBondContact O-CB 3.46Å; R127-R130 PolarHBondContact O-N 3.44Å; R127-L131 HydrophobicContact CG-CD1 4.26Å; R127-L131 WeakPolarHBondContact O-CG 3.32Å; R127-L131 PolarHBondContact O-N 2.67Å
128K97.8Very high96.1Very high61 Ų6169 Ų6927%0.26530%0.302SS..Hα-helixtrans-63.5-46177.3-179.754.4174.4156.80111.7Y83 Y124 I125 F126 R130 L131 D132Y83-K128 HydrophobicContact CE2-CG 3.87Å; Y124-K128 WeakPolarHBondContact O-CB 3.49Å; Y124-K128 PolarHBondContact O-N 3.05Å; I125-K128 PolarHBondContact O-N 3.47Å; F126-K128 VanDerWaalsContact C-N 3.32Å; F126-K128 PolarHBondContact O-N 3.08Å; K128-R130 VanDerWaalsContact C-N 3.28Å; K128-R130 PolarHBondContact O-N 2.9Å; K128-L131 PolarHBondContact O-N 3.48Å; K128-D132 WeakPolarHBondContact CD-OD2 3.39Å; K128-D132 WeakPolarHBondContact CE-OD2 3.37Å; K128-D132 VanDerWaalsContact NZ-CG 3.31Å; K128-D132 IonicContact NZ-OD1 2.69Å; K128-D132 PolarHBondContact NZ-OD1 3.42Å; K128-D132 IonicContact NZ-OD2 3.19Å; K128-D132 PolarHBondContact NZ-OD2 3.28Å; K128-D132 VanDerWaalsContact NZ-OD2 3.12Å; K128-D132 WeakPolarHBondContact O-CB 3.44Å; K128-D132 PolarHBondContact O-N 3.23Å
129L97.5Very high95.7Very high0 Ų066.8 Ų66.80%031%0.307CS..Hα-helixtrans-60.6-34.3173.5-74.6172.1000113.1L79 Y83 Y86 I97 I125 F126 R133 A134 F135L79-L129 HydrophobicContact CD1-CD1 4.05Å; Y83-L129 HydrophobicContact CD2-CD2 4.15Å; Y83-L129 HydrophobicContact CD2-CG 4.12Å; Y86-L129 HydrophobicContact CD1-CD2 3.83Å; Y86-L129 HydrophobicContact CG-CD2 4.07Å; I97-L129 HydrophobicContact CD1-CD1 4.39Å; I97-L129 HydrophobicContact CD1-CD2 4.28Å; I125-L129 PolarHBondContact O-N 3.4Å; F126-L129 PolarHBondContact O-N 3.4Å; L129-R133 PolarHBondContact O-N 3.33Å; L129-A134 HydrophobicContact CB-CB 4.18Å; L129-A134 HydrophobicContact CD2-CB 3.64Å; L129-A134 VanDerWaalsContact O-CB 3.24Å; L129-A134 WeakPolarHBondContact O-CB 3.5Å; L129-A134 PolarHBondContact O-N 3.01Å; L129-F135 HydrophobicContact CB-CE2 3.62Å; L129-F135 HydrophobicContact CB-CZ 3.73Å; L129-F135 HydrophobicContact CD1-CZ 4.14Å
130R96.4Very high94.9Very high125 Ų12569.1 Ų69.147%0.47232%0.319SS..Hα-helixtrans-66.8-47.5172.4-71.5177.360.5-173.6-0.6111.8F126 R127 K128 R133 F135F126-R130 VanDerWaalsContact CE1-CD 3.43Å; F126-R130 HydrophobicContact CE1-CG 4.23Å; F126-R130 HydrophobicContact CZ-CG 4.32Å; F126-R130 PolarHBondContact O-N 3.49Å; F126-R130 VanDerWaalsContact O-N 3.08Å; R127-R130 WeakPolarHBondContact O-CB 3.46Å; R127-R130 PolarHBondContact O-N 3.44Å; K128-R130 VanDerWaalsContact C-N 3.28Å; K128-R130 PolarHBondContact O-N 2.9Å; R130-R133 WeakPolarHBondContact O-CA 3.26Å; R130-R133 PolarHBondContact O-N 2.88Å; R130-R133 VanDerWaalsContact O-N 3.08Å; R130-F135 HydrophobicContact CG-CD2 4.12Å; R130-F135 HydrophobicContact CG-CE2 3.84Å
131L97.4Very high93.9Very high121 Ų12164.9 Ų64.963%0.63430%0.304SS*.Hα-helixtrans-62.4-43.3179.4-70.7171000112.3R127 K128 R133R127-L131 HydrophobicContact CG-CD1 4.26Å; R127-L131 WeakPolarHBondContact O-CG 3.32Å; R127-L131 PolarHBondContact O-N 2.67Å; K128-L131 PolarHBondContact O-N 3.48Å; L131-R133 PolarHBondContact O-N 2.95Å
132D96.5Very high93Very high49 Ų4970.1 Ų70.126%0.26233%0.325SS..THydrogen-bonded Turntrans-71.12.1176.4-64.9-16.4000112.9Y86 K128 A134Y86-D132 HydrophobicContact CE1-CB 4.22Å; Y86-D132 PolarHBondContact OH-O 2.95Å; K128-D132 WeakPolarHBondContact CD-OD2 3.39Å; K128-D132 WeakPolarHBondContact CE-OD2 3.37Å; K128-D132 VanDerWaalsContact NZ-CG 3.31Å; K128-D132 IonicContact NZ-OD1 2.69Å; K128-D132 PolarHBondContact NZ-OD1 3.42Å; K128-D132 IonicContact NZ-OD2 3.19Å; K128-D132 PolarHBondContact NZ-OD2 3.28Å; K128-D132 VanDerWaalsContact NZ-OD2 3.12Å; K128-D132 WeakPolarHBondContact O-CB 3.44Å; K128-D132 PolarHBondContact O-N 3.23Å; D132-A134 PolarHBondContact O-N 3.41Å
133R95.9Very high91.8Very high192 Ų19277 Ų7773%0.72536%0.361SS*.THydrogen-bonded Turntrans54.335.5-178.3-55.2179176.3-179.2-3.1112K96 L129 R130 L131 F135K96-R133 WeakPolarHBondContact CD-O 3.42Å; K96-R133 WeakPolarHBondContact CE-O 3.48Å; K96-R133 PolarHBondContact NZ-O 3.48Å; L129-R133 PolarHBondContact O-N 3.33Å; R130-R133 WeakPolarHBondContact O-CA 3.26Å; R130-R133 PolarHBondContact O-N 2.88Å; R130-R133 VanDerWaalsContact O-N 3.08Å; L131-R133 PolarHBondContact O-N 2.95Å; R133-F135 VanDerWaalsContact C-N 3.27Å; R133-F135 PolarHBondContact O-N 3.23Å
134A96.8Very high90.6Very high0 Ų082.8 Ų82.80%039%0.389CS..  trans-66.4-27.4-174.100000113.5Y86 K96 I97 L129 D132Y86-A134 HydrophobicContact CD1-CB 3.81Å; Y86-A134 HydrophobicContact CD2-CB 3.79Å; Y86-A134 HydrophobicContact CE1-CB 3.63Å; Y86-A134 HydrophobicContact CE2-CB 3.61Å; Y86-A134 HydrophobicContact CG-CB 3.9Å; K96-A134 CarbonylContact C-O 3.56Å; K96-A134 VanDerWaalsContact CA-O 3.25Å; K96-A134 WeakPolarHBondContact CA-O 3.35Å; K96-A134 WeakPolarHBondContact CB-O 3.19Å; I97-A134 HydrophobicContact CD1-CB 4.27Å; I97-A134 PolarHBondContact N-O 3Å; L129-A134 HydrophobicContact CB-CB 4.18Å; L129-A134 HydrophobicContact CD2-CB 3.64Å; L129-A134 VanDerWaalsContact O-CB 3.24Å; L129-A134 WeakPolarHBondContact O-CB 3.5Å; L129-A134 PolarHBondContact O-N 3.01Å; D132-A134 PolarHBondContact O-N 3.41Å
135F95.8Very high89.2Confident18 Ų1881 Ų818%0.07940%0.398CS..EExtended strand (participates in β ladder)trans-81.2147.1179.9-56.5-69.3000112.9W63 I97 V99 F126 L129 R130 R133W63-F135 HydrophobicContact CZ3-CD1 4.34Å; W63-F135 AromaticContact CZ3-CE1 3.85Å; W63-F135 HydrophobicContact CZ3-CE1 3.85Å; I97-F135 HydrophobicContact CB-CD1 3.88Å; I97-F135 HydrophobicContact CB-CE1 4.27Å; I97-F135 HydrophobicContact CD1-CD1 4.1Å; I97-F135 HydrophobicContact CD1-CE1 3.75Å; I97-F135 HydrophobicContact CD1-CZ 4.44Å; I97-F135 HydrophobicContact CG2-CD1 3.94Å; I97-F135 HydrophobicContact CG2-CE1 4.12Å; V99-F135 HydrophobicContact CG2-CB 4.27Å; V99-F135 HydrophobicContact CG2-CD1 3.68Å; V99-F135 HydrophobicContact CG2-CG 4.34Å; F126-F135 HydrophobicContact CD2-CE2 4.5Å; F126-F135 HydrophobicContact CD2-CZ 4.15Å; F126-F135 HydrophobicContact CE2-CE2 4.14Å; F126-F135 AromaticContact CE2-CZ 3.9Å; F126-F135 HydrophobicContact CE2-CZ 3.9Å; L129-F135 HydrophobicContact CB-CE2 3.62Å; L129-F135 HydrophobicContact CB-CZ 3.73Å; L129-F135 HydrophobicContact CD1-CZ 4.14Å; R130-F135 HydrophobicContact CG-CD2 4.12Å; R130-F135 HydrophobicContact CG-CE2 3.84Å; R133-F135 VanDerWaalsContact C-N 3.27Å; R133-F135 PolarHBondContact O-N 3.23Å
136H94.7Very high87.3Confident88 Ų8892.1 Ų92.141%0.40744%0.441SS..EExtended strand (participates in β ladder)trans-131.7108.3171.2173.941.9000108.3K96 I97 V99K96-H136 HydrophobicContact CB-CB 3.69Å; K96-H136 HydrophobicContact CD-CB 4.04Å; I97-H136 PolarHBondContact O-N 3.42Å; V99-H136 PolarHBondContact N-O 3.4Å
137F93.3Very high85.3Confident101 Ų101102.5 Ų102.544%0.44348%0.48SS..EExtended strand (participates in β ladder)trans-71.4136.2177.7-62.1-78.6000111V99 L101 W104V99-F137 HydrophobicContact CB-CD1 4.27Å; V99-F137 HydrophobicContact CG1-CD1 4.15Å; V99-F137 HydrophobicContact CG1-CE1 4.2Å; L101-F137 HydrophobicContact CD1-CD1 4.37Å; W104-F137 AromaticContact CD2-CE1 3.69Å; W104-F137 HydrophobicContact CD2-CE1 3.69Å; W104-F137 HydrophobicContact CD2-CZ 4.24Å; W104-F137 AromaticContact CE2-CE1 3.97Å; W104-F137 AromaticContact CE3-CE1 3.66Å; W104-F137 HydrophobicContact CE3-CE1 3.66Å; W104-F137 HydrophobicContact CE3-CZ 4.22Å; W104-F137 HydrophobicContact CG-CE1 4.24Å; W104-F137 HydrophobicContact CH2-CE1 4.18Å; W104-F137 AromaticContact CH2-CZ 3.88Å; W104-F137 HydrophobicContact CH2-CZ 3.88Å; W104-F137 HydrophobicContact CZ2-CE1 4.22Å; W104-F137 AromaticContact CZ2-CZ 3.91Å; W104-F137 HydrophobicContact CZ2-CZ 3.91Å; W104-F137 AromaticContact CZ3-CE1 3.91Å; W104-F137 HydrophobicContact CZ3-CE1 3.91Å; W104-F137 HydrophobicContact CZ3-CZ 4.04Å
138T90.6Very high83Confident22 Ų22102.5 Ų102.514%0.13549%0.49CS..EExtended strand (participates in β ladder)trans-147.9165.2-172.462.20000110.5V99 A100 L101 M140V99-T138 PolarHBondContact O-N 2.84Å; V99-T138 PolarHBondContact O-OG1 3.18Å; A100-T138 WeakPolarHBondContact CA-O 3.49Å; L101-T138 PolarHBondContact N-O 2.89Å; T138-M140 PolarHBondContact OG1-O 2.96Å; T138-M140 VanDerWaalsContact OG1-O 3.1Å
139A85.9Confident80.7Confident91 Ų91110.2 Ų110.275%0.75252%0.523SS*.SBendtrans-73.8-29.5172.500000113
140M80.6Confident78.5Confident93 Ų93118.7 Ų118.746%0.45856%0.56SS.*  trans-145.1136.2-179.3-71.5-67.7164.300110.6R98 T138 L144R98-M140 PolarHBondContact NH2-O 3.44Å; T138-M140 PolarHBondContact OG1-O 2.96Å; T138-M140 VanDerWaalsContact OG1-O 3.1Å; M140-L144 HydrophobicContact CG-CD1 4.18Å; M140-L144 HydrophobicContact CG-CG 4.46Å
141P73.9Confident76Confident33 Ų33121.3 Ų121.321%0.21458%0.575CS.*SBendtrans-67.6-44.2-174.6-16.231.3000111R98 A100R98-P141 WeakPolarHBondContact CD-O 3.24Å; R98-P141 PolarHBondContact NE-O 3.24Å; A100-P141 HydrophobicContact CB-CG 3.71Å
142K75.8Confident73.5Confident139 Ų139123.2 Ų123.260%0.60458%0.584SS**SBendtrans-81.6138.5171.5-64.1-174.2179.3-176.60110.1L144K142-L144 PolarHBondContact O-N 3.47Å
143L72.1Confident71Confident144 Ų144127.4 Ų127.475%0.75460%0.602SS**PPolyproline II helixtrans-69.7119.2175.8-179.665.4000110.1
144L71.6Confident68.5Low138 Ų138129.2 Ų129.272%0.72361%0.609SS**PPolyproline II helixtrans-73.3140.8172.5-58.1-178.1000110.2M140 K142M140-L144 HydrophobicContact CG-CD1 4.18Å; M140-L144 HydrophobicContact CG-CG 4.46Å; K142-L144 PolarHBondContact O-N 3.47Å
145S69.3Low66.4Low104 Ų104131.2 Ų131.273%0.72763%0.625SS**  trans-133.2137173.365.50000111.1R147S145-R147 PolarHBondContact O-N 2.94Å
146Y57.4Low64.6Low236 Ų236137.6 Ų137.693%0.92566%0.655SS**  trans-74.611.5-167.7-177.7-111000114.9
147R55Low63Low222 Ų222136 Ų13684%0.83865%0.651SS**SBendtrans-110106.1-173.2-74.8-169174.1-171.5-1.2113.8S145S145-R147 PolarHBondContact O-N 2.94Å
148M48.4Very low62Low176 Ų176132.3 Ų132.387%0.86764%0.637SS**SBendtrans42.9110.1154.7-69.9-171.1168.600118.9K150M148-K150 PolarHBondContact O-N 2.8Å
149K49.8Very low61.1Low223 Ų223137.4 Ų137.497%0.9766%0.659SS**  trans33.139.6144.1-64-166.9178.3-174.90118.2K151K149-K151 PolarHBondContact O-N 3Å
150K50.6Low60.6Low177 Ų177140.1 Ų140.177%0.7766%0.657SS**  trans-66.9129.6157.4-71.6-164.1172.3-168.30107.2M148 I152M148-K150 PolarHBondContact O-N 2.8Å; K150-I152 PolarHBondContact O-N 3Å; K150-I152 VanDerWaalsContact O-N 3.08Å
151K44Very low60.7Low181 Ų181135.8 Ų135.879%0.78764%0.635SS**  trans-51121.2169.3-71.6-175.7177.7-177.60107K149 H153K149-K151 PolarHBondContact O-N 3Å; K151-H153 PolarHBondContact O-CD2 3.45Å; K151-H153 PolarHBondContact O-N 2.85Å
152I45.9Very low61Low161 Ų161136.8 Ų136.883%0.82664%0.636SS**  trans-70.495.9168.1-61.3175000104.4K150 R154K150-I152 PolarHBondContact O-N 3Å; K150-I152 VanDerWaalsContact O-N 3.08Å; I152-R154 VanDerWaalsContact C-N 3.26Å; I152-R154 PolarHBondContact O-N 2.89Å
153H43.3Very low60.6Low136 Ų136133.6 Ų133.663%0.6363%0.626SS**  trans-61.499.2166.1-77.6-99.6000106.3K151 A155K151-H153 PolarHBondContact O-CD2 3.45Å; K151-H153 PolarHBondContact O-N 2.85Å; H153-A155 PolarHBondContact O-N 2.83Å
154R43.3Very low60.2Low231 Ų231130.9 Ų130.987%0.87262%0.617SS**  trans-60.7108.1172.3-166.3178.5-166.9173.12.5104.5I152 E156I152-R154 VanDerWaalsContact C-N 3.26Å; I152-R154 PolarHBondContact O-N 2.89Å; R154-E156 PolarHBondContact O-N 3.49Å
155A53Low59.7Low42 Ų42126.9 Ų126.935%0.34760%0.6SS.*  trans-61.9109.2-161.600000110.3R64 H153 V157R64-A155 PolarHBondContact NH2-O 3.35Å; H153-A155 PolarHBondContact O-N 2.83Å; A155-V157 PolarHBondContact O-N 3.33Å
156E58.1Low59.5Low152 Ų152125.5 Ų125.571%0.7159%0.585SS**  trans-51.899.6-171.5-74150.3-159.100110.6R64 R154 T158R64-E156 PolarHBondContact NH2-O 2.86Å; R154-E156 PolarHBondContact O-N 3.49Å; E156-T158 PolarHBondContact O-N 3.04Å
157V61.5Low60.1Low54 Ų54121.7 Ų121.733%0.32757%0.569SS.*  trans-63.8124.1-172-170.80000107.4P69 Y70 A155 E159P69-V157 HydrophobicContact CG-CG1 4.17Å; Y70-V157 HydrophobicContact CE1-CG1 3.59Å; A155-V157 PolarHBondContact O-N 3.33Å; V157-E159 PolarHBondContact O-N 2.8Å
158T71.4Confident61.1Low24 Ų24113.4 Ų113.415%0.14754%0.543CS..  trans-66.5104.4178.536.50000108.5E12 Y70 E156 E160 F161E12-T158 HydrophobicContact CG-CG2 4.35Å; E12-T158 VanDerWaalsContact OE1-CG2 3.29Å; E12-T158 WeakPolarHBondContact OE1-CG2 3.26Å; Y70-T158 WeakPolarHBondContact CE1-OG1 3.49Å; E156-T158 PolarHBondContact O-N 3.04Å; T158-E160 PolarHBondContact O-N 3.46Å; T158-F161 PolarHBondContact O-N 3.47Å; T158-F161 VanDerWaalsContact O-N 3.13Å; T158-F161 WeakPolarHBondContact OG1-CD2 3.2Å
159E71.7Confident62.3Low128 Ų128107.7 Ų107.760%0.59851%0.514SS*.G310 helixtrans-61.7-34.9-175.7-61.7-62.4138.300111.2V157 F161 K162V157-E159 PolarHBondContact O-N 2.8Å; E159-F161 PolarHBondContact O-N 2.87Å; E159-K162 WeakPolarHBondContact O-CB 3.47Å; E159-K162 PolarHBondContact O-N 2.88Å; E159-K162 VanDerWaalsContact O-N 3.08Å; E159-K162 WeakPolarHBondContact OE1-CE 3.44Å; E159-K162 IonicContact OE1-NZ 3.45Å; E159-K162 PolarHBondContact OE1-NZ 3.17Å; E159-K162 WeakPolarHBondContact OE2-CD 3.34Å; E159-K162 VanDerWaalsContact OE2-CE 3.28Å; E159-K162 WeakPolarHBondContact OE2-CE 3.41Å; E159-K162 IonicContact OE2-NZ 2.71Å; E159-K162 PolarHBondContact OE2-NZ 3.43Å
160E76.1Confident63.6Low149 Ų149105.5 Ų105.570%0.69651%0.505SS*.G310 helixtrans-54.2-29.7174-64.2166.5-160.800114.2T158T158-E160 PolarHBondContact O-N 3.46Å
161F82.8Confident64.9Low2 Ų2103.4 Ų103.41%0.00950%0.501CS..G310 helixtrans-93.2-0.5-177.7-70-3.2000113.3E12 L15 S16 Y65 Y70 T71 I74 T158 E159E12-F161 HydrophobicContact CB-CE2 4.31Å; E12-F161 HydrophobicContact CB-CZ 4.14Å; E12-F161 HydrophobicContact CG-CE2 3.99Å; E12-F161 HydrophobicContact CG-CZ 4.31Å; L15-F161 HydrophobicContact CB-CE2 3.86Å; L15-F161 HydrophobicContact CB-CZ 3.77Å; L15-F161 HydrophobicContact CD1-CE2 4.1Å; S16-F161 WeakPolarHBondContact OG-CE1 3.25Å; Y65-F161 AromaticContact CD1-CD2 3.86Å; Y65-F161 HydrophobicContact CD1-CD2 3.86Å; Y65-F161 HydrophobicContact CD1-CE2 4.14Å; Y65-F161 HydrophobicContact CE1-CD2 4.05Å; Y65-F161 HydrophobicContact CE1-CE2 4.08Å; Y70-F161 CarbonylContact C-O 3.43Å; Y70-F161 VanDerWaalsContact CA-O 3.26Å; Y70-F161 WeakPolarHBondContact CA-O 3.23Å; Y70-F161 HydrophobicContact CD1-CB 3.42Å; Y70-F161 VanDerWaalsContact CD1-CB 3.42Å; Y70-F161 HydrophobicContact CE1-CB 3.84Å; Y70-F161 HydrophobicContact CG-CB 4.34Å; T71-F161 PolarHBondContact N-O 3.39Å; I74-F161 HydrophobicContact CD1-CB 4.33Å; I74-F161 HydrophobicContact CD1-CD1 3.69Å; I74-F161 HydrophobicContact CD1-CD2 4.06Å; I74-F161 HydrophobicContact CD1-CE1 3.95Å; I74-F161 HydrophobicContact CD1-CE2 4.3Å; I74-F161 HydrophobicContact CD1-CG 3.77Å; I74-F161 HydrophobicContact CD1-CZ 4.26Å; I74-F161 HydrophobicContact CG1-CB 4.01Å; I74-F161 HydrophobicContact CG1-CD1 4.2Å; I74-F161 HydrophobicContact CG1-CG 4.01Å; I74-F161 HydrophobicContact CG2-CB 4.17Å; I74-F161 HydrophobicContact CG2-CD2 4.04Å; I74-F161 HydrophobicContact CG2-CG 4.24Å; T158-F161 PolarHBondContact O-N 3.47Å; T158-F161 VanDerWaalsContact O-N 3.13Å; T158-F161 WeakPolarHBondContact OG1-CD2 3.2Å; E159-F161 PolarHBondContact O-N 2.87Å
162K80.4Confident66.7Low54 Ų5497 Ų9724%0.23548%0.475CS..BIsolated β-bridgetrans-83.1153.8172.3-60.8-177.3-171.3170.20109.6P69 T71 E159 P164P69-K162 HydrophobicContact CG-CD 4.17Å; P69-K162 HydrophobicContact CG-CG 4.22Å; T71-K162 VanDerWaalsContact CG2-C 3.48Å; E159-K162 WeakPolarHBondContact O-CB 3.47Å; E159-K162 PolarHBondContact O-N 2.88Å; E159-K162 VanDerWaalsContact O-N 3.08Å; E159-K162 WeakPolarHBondContact OE1-CE 3.44Å; E159-K162 IonicContact OE1-NZ 3.45Å; E159-K162 PolarHBondContact OE1-NZ 3.17Å; E159-K162 WeakPolarHBondContact OE2-CD 3.34Å; E159-K162 VanDerWaalsContact OE2-CE 3.28Å; E159-K162 WeakPolarHBondContact OE2-CE 3.41Å; E159-K162 IonicContact OE2-NZ 2.71Å; E159-K162 PolarHBondContact OE2-NZ 3.43Å; K162-P164 WeakPolarHBondContact O-CD 3.49Å
163D67.8Low68.5Low72 Ų7291.5 Ų91.539%0.38545%0.449SS..  trans-63.7129.4162.7-170.527.4000108T71 S165 R167T71-D163 HydrophobicContact CG2-CB 4.16Å; T71-D163 VanDerWaalsContact CG2-N 3.34Å; D163-S165 PolarHBondContact O-N 3.26Å; D163-R167 IonicContact OD1-CZ 2.79Å; D163-R167 IonicContact OD1-NE 3.11Å; D163-R167 PolarHBondContact OD1-NE 3.13Å; D163-R167 IonicContact OD1-NH2 3.51Å; D163-R167 PolarHBondContact OD1-NH2 2.84Å; D163-R167 IonicContact OD2-NE 2.63Å; D163-R167 PolarHBondContact OD2-NE 3.41Å
164P63.1Low70.4Confident87 Ų8789.2 Ų89.257%0.56545%0.449SS*.  trans-55.6105.5175.1-28.336.9000109.5K162 D166 R167K162-P164 WeakPolarHBondContact O-CD 3.49Å; P164-D166 PolarHBondContact O-N 3.01Å; P164-R167 PolarHBondContact O-N 3.39Å
165S61.1Low72.4Confident53 Ų5383.2 Ų83.237%0.37143%0.434SS..THydrogen-bonded Turntrans-66.18.6-170.764.40000114.7D163 H227 K231D163-S165 PolarHBondContact O-N 3.26Å; S165-H227 VanDerWaalsContact CB-NE2 3.29Å; S165-H227 WeakPolarHBondContact CB-NE2 3.33Å; S165-H227 PolarHBondContact O-CE1 3.05Å; S165-H227 PolarHBondContact O-NE2 3.36Å; S165-H227 PolarHBondContact OG-CE1 3.37Å; S165-H227 PolarHBondContact OG-NE2 3.15Å; S165-K231 PolarHBondContact OG-NZ 3.42Å
166D64.9Low74Confident75 Ų7584.2 Ų84.240%0.40144%0.435SS..THydrogen-bonded Turntrans-124.910.3-164.1-11045.8000111.2P164 V168 M169 K170 H227P164-D166 PolarHBondContact O-N 3.01Å; D166-V168 PolarHBondContact O-N 2.82Å; D166-V168 VanDerWaalsContact O-N 3.11Å; D166-M169 HydrophobicContact CB-CB 4.19Å; D166-M169 CarbonylContact O-C 3.46Å; D166-M169 WeakPolarHBondContact O-CA 3.17Å; D166-M169 WeakPolarHBondContact O-CB 3.27Å; D166-M169 PolarHBondContact O-N 3.01Å; D166-K170 WeakPolarHBondContact O-CB 3.24Å; D166-K170 PolarHBondContact O-N 3.08Å; D166-H227 IonicContact OD1-CE1 3.12Å; D166-H227 PolarHBondContact OD1-CE1 2.92Å
167R71.1Confident75.3Confident157 Ų15778.4 Ų78.459%0.59241%0.409SS*.Hα-helixtrans-47.5-43.8178-70.7-179.9-174.3-117.92112.3D163 P164 L171D163-R167 IonicContact OD1-CZ 2.79Å; D163-R167 IonicContact OD1-NE 3.11Å; D163-R167 PolarHBondContact OD1-NE 3.13Å; D163-R167 IonicContact OD1-NH2 3.51Å; D163-R167 PolarHBondContact OD1-NH2 2.84Å; D163-R167 IonicContact OD2-NE 2.63Å; D163-R167 PolarHBondContact OD2-NE 3.41Å; P164-R167 PolarHBondContact O-N 3.39Å; R167-L171 WeakPolarHBondContact O-CD1 3.4Å; R167-L171 VanDerWaalsContact O-CG 3.25Å; R167-L171 WeakPolarHBondContact O-CG 3.29Å; R167-L171 PolarHBondContact O-N 3.18Å; R167-L171 VanDerWaalsContact O-N 3.13Å
168V75.4Confident76.5Confident48 Ų4881.6 Ų81.629%0.29142%0.42SS..Hα-helixtrans-67-43.4175.8-178.70000112.1D166 K170 L171 I172D166-V168 PolarHBondContact O-N 2.82Å; D166-V168 VanDerWaalsContact O-N 3.11Å; V168-K170 VanDerWaalsContact C-N 3.31Å; V168-K170 PolarHBondContact O-N 3.5Å; V168-L171 PolarHBondContact O-N 2.94Å; V168-I172 HydrophobicContact CG1-CD1 4.22Å; V168-I172 PolarHBondContact O-N 3.28Å
169M72.8Confident77.4Confident55 Ų5586.8 Ų86.827%0.27144%0.443SS..Hα-helixtrans-67-30.6178.2-64.6-61.9-62.300113.1D166 I172 Q224D166-M169 HydrophobicContact CB-CB 4.19Å; D166-M169 CarbonylContact O-C 3.46Å; D166-M169 WeakPolarHBondContact O-CA 3.17Å; D166-M169 WeakPolarHBondContact O-CB 3.27Å; D166-M169 PolarHBondContact O-N 3.01Å; M169-I172 CarbonylContact O-C 3.53Å; M169-Q224 HydrophobicContact CE-CG 4.06Å; M169-Q224 HydrophobicContact SD-CG 3.37Å; M169-Q224 WeakPolarHBondContact SD-CG 3.48Å
170K76.8Confident78.1Confident177 Ų17783 Ų8377%0.7743%0.426SS*.Hα-helixtrans-78.4-26.7176.5-171.7179.1178.8-175.80112.4D166 V168D166-K170 WeakPolarHBondContact O-CB 3.24Å; D166-K170 PolarHBondContact O-N 3.08Å; V168-K170 VanDerWaalsContact C-N 3.31Å; V168-K170 PolarHBondContact O-N 3.5Å
171L79.1Confident78.7Confident134 Ų13479.4 Ų79.470%0.70241%0.411SS*.Hα-helixtrans-83-33.6173.4-71.5168.3000112.2R167 V168R167-L171 WeakPolarHBondContact O-CD1 3.4Å; R167-L171 VanDerWaalsContact O-CG 3.25Å; R167-L171 WeakPolarHBondContact O-CG 3.29Å; R167-L171 PolarHBondContact O-N 3.18Å; R167-L171 VanDerWaalsContact O-N 3.13Å; V168-L171 PolarHBondContact O-N 2.94Å
172I81.8Confident79Confident46 Ų4683.8 Ų83.824%0.23643%0.434CS..SBendtrans-118.677.2-176.5-48.9173.4000108.7V168 M169 L177 V220V168-I172 HydrophobicContact CG1-CD1 4.22Å; V168-I172 PolarHBondContact O-N 3.28Å; M169-I172 CarbonylContact O-C 3.53Å; I172-L177 HydrophobicContact CG2-CD1 3.86Å; I172-L177 HydrophobicContact CG2-CD2 3.66Å; I172-L177 HydrophobicContact CG2-CG 3.55Å; I172-V220 HydrophobicContact CB-CG2 4.32Å; I172-V220 HydrophobicContact CD1-CG2 3.57Å; I172-V220 HydrophobicContact CG2-CG2 3.96Å
173T82.6Confident79.4Confident46 Ų4686.1 Ų86.128%0.28245%0.453SS..  trans-75.4170.7172.269.20000111D175 V176 L177T173-D175 VanDerWaalsContact CB-OD2 3.27Å; T173-D175 WeakPolarHBondContact CB-OD2 3.32Å; T173-D175 PolarHBondContact O-N 3.39Å; T173-D175 PolarHBondContact OG1-OD2 2.92Å; T173-V176 PolarHBondContact OG1-N 2.88Å; T173-L177 PolarHBondContact O-N 3.46Å
174S83.4Confident80.4Confident88 Ų8883.9 Ų83.962%0.61544%0.44SS*.Hα-helixtrans-59.8-40174.3-163.20000111.4L177 E178S174-L177 PolarHBondContact O-N 3.34Å; S174-E178 PolarHBondContact O-N 2.8Å
175D85.2Confident81.5Confident104 Ų10483.7 Ų83.756%0.55644%0.435SS*.Hα-helixtrans-65.7-44.7-176.5-17.6-70.7000110.7T173 L177 E178 E179T173-D175 VanDerWaalsContact CB-OD2 3.27Å; T173-D175 WeakPolarHBondContact CB-OD2 3.32Å; T173-D175 PolarHBondContact O-N 3.39Å; T173-D175 PolarHBondContact OG1-OD2 2.92Å; D175-L177 VanDerWaalsContact C-N 3.32Å; D175-L177 PolarHBondContact O-N 3.21Å; D175-E178 PolarHBondContact O-N 2.98Å; D175-E178 VanDerWaalsContact O-N 3.15Å; D175-E179 WeakPolarHBondContact O-CG 3.46Å; D175-E179 PolarHBondContact O-N 3.11Å
176V86.5Confident82.8Confident63 Ų6386.8 Ų86.838%0.38244%0.443SS..Hα-helixtrans-64-35.7175.5173.40000111.8T173 M180T173-V176 PolarHBondContact OG1-N 2.88Å; V176-M180 WeakPolarHBondContact O-CB 3.31Å; V176-M180 PolarHBondContact O-N 3.34Å
177L86Confident83.7Confident30 Ų3086.4 Ų86.416%0.15744%0.436CS..Hα-helixtrans-69.2-37.2173.1-73.9170.2000112.1I172 T173 S174 D175 M180 L181 F213 I216I172-L177 HydrophobicContact CG2-CD1 3.86Å; I172-L177 HydrophobicContact CG2-CD2 3.66Å; I172-L177 HydrophobicContact CG2-CG 3.55Å; T173-L177 PolarHBondContact O-N 3.46Å; S174-L177 PolarHBondContact O-N 3.34Å; D175-L177 VanDerWaalsContact C-N 3.32Å; D175-L177 PolarHBondContact O-N 3.21Å; L177-M180 PolarHBondContact O-N 2.72Å; L177-L181 WeakPolarHBondContact O-CB 3.27Å; L177-L181 PolarHBondContact O-N 3.07Å; L177-F213 HydrophobicContact CB-CE2 4.2Å; L177-F213 HydrophobicContact CD2-CE2 3.99Å; L177-F213 VanDerWaalsContact O-CE2 3.23Å; L177-F213 WeakPolarHBondContact O-CE2 3.27Å; L177-I216 HydrophobicContact CD2-CG2 4.27Å
178E87.4Confident84.2Confident121 Ų12180 Ų8057%0.56541%0.413SS*.Hα-helixtrans-69.2-46177.5-170.3172.9159.700111.7S174 D175 M180 L181 N182S174-E178 PolarHBondContact O-N 2.8Å; D175-E178 PolarHBondContact O-N 2.98Å; D175-E178 VanDerWaalsContact O-N 3.15Å; E178-M180 VanDerWaalsContact C-N 3.31Å; E178-M180 PolarHBondContact O-N 3.34Å; E178-L181 PolarHBondContact O-N 3.15Å; E178-N182 WeakPolarHBondContact O-CB 3.33Å; E178-N182 PolarHBondContact O-N 3.22Å; E178-N182 PolarHBondContact O-ND2 2.97Å; E178-N182 VanDerWaalsContact O-ND2 3.1Å
179E88.8Confident84.6Confident133 Ų13380.4 Ų80.462%0.62141%0.414SS*.Hα-helixtrans-55.6-46.1170.9-73.6-176.5171.600111.5D175 L181 N182 V183D175-E179 WeakPolarHBondContact O-CG 3.46Å; D175-E179 PolarHBondContact O-N 3.11Å; E179-L181 PolarHBondContact O-N 2.98Å; E179-N182 PolarHBondContact O-N 2.89Å; E179-V183 WeakPolarHBondContact O-CG2 3.33Å; E179-V183 PolarHBondContact O-N 2.99Å
180M87.8Confident85.1Confident49 Ų4981.9 Ų81.924%0.24142%0.421CS..Hα-helixtrans-65.4-37.5179.5-179.217716500112.9V176 L177 E178 H184 F212 F213 I216V176-M180 WeakPolarHBondContact O-CB 3.31Å; V176-M180 PolarHBondContact O-N 3.34Å; L177-M180 PolarHBondContact O-N 2.72Å; E178-M180 VanDerWaalsContact C-N 3.31Å; E178-M180 PolarHBondContact O-N 3.34Å; M180-H184 WeakPolarHBondContact O-CB 3.27Å; M180-H184 PolarHBondContact O-N 2.81Å; M180-F212 HydrophobicContact CE-CD1 3.76Å; M180-F212 HydrophobicContact CE-CE1 3.31Å; M180-F212 HydrophobicContact CE-CZ 3.79Å; M180-F213 HydrophobicContact CG-CD2 4.4Å; M180-I216 HydrophobicContact CE-CB 4.26Å; M180-I216 HydrophobicContact CE-CD1 3.38Å; M180-I216 HydrophobicContact CE-CG1 4.39Å; M180-I216 HydrophobicContact CE-CG2 4.27Å; M180-I216 HydrophobicContact SD-CG2 4.5Å
181L87.7Confident85.2Confident73 Ų7373.8 Ų73.838%0.38239%0.386SS..Hα-helixtrans-65.2-45.8172.5176.959000111.2L177 E178 E179 V183 H184 D185 F213L177-L181 WeakPolarHBondContact O-CB 3.27Å; L177-L181 PolarHBondContact O-N 3.07Å; E178-L181 PolarHBondContact O-N 3.15Å; E179-L181 PolarHBondContact O-N 2.98Å; L181-V183 PolarHBondContact O-N 2.99Å; L181-H184 PolarHBondContact O-N 3.33Å; L181-D185 PolarHBondContact O-N 3.27Å; L181-F213 HydrophobicContact CB-CD2 4.14Å; L181-F213 HydrophobicContact CB-CE1 4.3Å; L181-F213 HydrophobicContact CB-CE2 3.84Å; L181-F213 HydrophobicContact CB-CZ 3.92Å; L181-F213 HydrophobicContact CD1-CD1 3.83Å; L181-F213 HydrophobicContact CD1-CE1 3.99Å; L181-F213 HydrophobicContact CD1-CG 4.14Å; L181-F213 HydrophobicContact CD1-CZ 4.47Å; L181-F213 HydrophobicContact CD2-CE1 4.16Å; L181-F213 HydrophobicContact CD2-CZ 4.26Å; L181-F213 HydrophobicContact CG-CE1 4.38Å; L181-F213 HydrophobicContact CG-CZ 4.45Å
182N89.9Confident85.2Confident94 Ų9472 Ų7250%0.50337%0.37SS..Hα-helixtrans-62.5-40.8179.4-71.3-31.6000111.9E178 E179 H186E178-N182 WeakPolarHBondContact O-CB 3.33Å; E178-N182 PolarHBondContact O-N 3.22Å; E178-N182 PolarHBondContact O-ND2 2.97Å; E178-N182 VanDerWaalsContact O-ND2 3.1Å; E179-N182 PolarHBondContact O-N 2.89Å; N182-H186 VanDerWaalsContact O-CB 3.28Å; N182-H186 WeakPolarHBondContact O-CB 3.28Å; N182-H186 PolarHBondContact O-N 2.94Å
183V89.4Confident85.1Confident103 Ų10375.1 Ų75.162%0.62439%0.391SS*.Hα-helixtrans-66.1-40.8173.8170.40000111.6E179 L181 H186 Y187E179-V183 WeakPolarHBondContact O-CG2 3.33Å; E179-V183 PolarHBondContact O-N 2.99Å; L181-V183 PolarHBondContact O-N 2.99Å; V183-H186 PolarHBondContact O-N 3.01Å; V183-Y187 VanDerWaalsContact O-CB 3.31Å; V183-Y187 WeakPolarHBondContact O-CB 3.29Å; V183-Y187 PolarHBondContact O-N 3.32Å
184H86.9Confident84.9Confident25 Ų2578.1 Ų78.112%0.11640%0.404CS..Hα-helixtrans-66.7-44.9178.4-172.572.3000112.2M180 L181 Y187 Q188 D210M180-H184 WeakPolarHBondContact O-CB 3.27Å; M180-H184 PolarHBondContact O-N 2.81Å; L181-H184 PolarHBondContact O-N 3.33Å; H184-Y187 WeakPolarHBondContact O-CB 3.47Å; H184-Y187 PolarHBondContact O-N 3.03Å; H184-Q188 VanDerWaalsContact O-CG 3.26Å; H184-Q188 WeakPolarHBondContact O-CG 3.44Å; H184-Q188 PolarHBondContact O-N 3.5Å; H184-D210 PolarHBondContact CE1-O 2.78Å; H184-D210 PolarHBondContact NE2-O 3.1Å
185D86.9Confident84.5Confident84 Ų8474.2 Ų74.245%0.44938%0.377SS..Hα-helixtrans-67.1-40.3175.1-175.156000111.7L181 Y187 Q188 N189 R192L181-D185 PolarHBondContact O-N 3.27Å; D185-Y187 VanDerWaalsContact C-N 3.32Å; D185-Y187 PolarHBondContact O-N 3.19Å; D185-Q188 PolarHBondContact O-N 3.37Å; D185-N189 WeakPolarHBondContact O-CB 3.35Å; D185-N189 PolarHBondContact O-N 2.97Å; D185-N189 PolarHBondContact O-ND2 3.02Å; D185-N189 PolarHBondContact OD1-ND2 3.48Å; D185-N189 PolarHBondContact OD2-ND2 3.25Å; D185-R192 IonicContact OD1-NH2 3.12Å
186H87.4Confident83.5Confident118 Ų11876.5 Ų76.555%0.54639%0.394SS..Hα-helixtrans-59.1-43.7174-172.179.9000111.9N182 V183 N189 M190N182-H186 VanDerWaalsContact O-CB 3.28Å; N182-H186 WeakPolarHBondContact O-CB 3.28Å; N182-H186 PolarHBondContact O-N 2.94Å; V183-H186 PolarHBondContact O-N 3.01Å; H186-N189 PolarHBondContact O-N 3.47Å; H186-M190 WeakPolarHBondContact O-CB 3.29Å; H186-M190 PolarHBondContact O-N 3.32Å
187Y84.9Confident82.4Confident67 Ų6778.1 Ų78.126%0.26340%0.4SS..Hα-helixtrans-58.8-47.7173.4173-99.9000112V183 H184 D185 M190 K191 L205 I208V183-Y187 VanDerWaalsContact O-CB 3.31Å; V183-Y187 WeakPolarHBondContact O-CB 3.29Å; V183-Y187 PolarHBondContact O-N 3.32Å; H184-Y187 WeakPolarHBondContact O-CB 3.47Å; H184-Y187 PolarHBondContact O-N 3.03Å; D185-Y187 VanDerWaalsContact C-N 3.32Å; D185-Y187 PolarHBondContact O-N 3.19Å; Y187-M190 PolarHBondContact O-N 2.88Å; Y187-K191 HydrophobicContact CE1-CD 4.33Å; Y187-K191 VanDerWaalsContact O-CB 3.31Å; Y187-K191 WeakPolarHBondContact O-CB 3.28Å; Y187-K191 PolarHBondContact O-N 2.87Å; Y187-L205 PolarHBondContact OH-O 2.83Å; Y187-I208 HydrophobicContact CE1-CB 4.28Å; Y187-I208 HydrophobicContact CE1-CD1 4.36Å
188Q80.8Confident81.4Confident21 Ų2185.2 Ų85.210%0.09843%0.43CS..Hα-helixtrans-69.2-33.6179.9-65.3-70.73.900113.1H184 D185 R192 D210H184-Q188 VanDerWaalsContact O-CG 3.26Å; H184-Q188 WeakPolarHBondContact O-CG 3.44Å; H184-Q188 PolarHBondContact O-N 3.5Å; D185-Q188 PolarHBondContact O-N 3.37Å; Q188-R192 WeakPolarHBondContact O-CG 3.48Å; Q188-R192 PolarHBondContact O-N 3.44Å; Q188-R192 VanDerWaalsContact O-N 3.15Å; Q188-R192 PolarHBondContact O-NE 2.89Å; Q188-D210 PolarHBondContact NE2-OD1 3.25Å; Q188-D210 PolarHBondContact OE1-OD1 2.84Å
189N84Confident80.1Confident57 Ų5783.2 Ų83.231%0.30543%0.429SS..Hα-helixtrans-62.9-48.4169.9-76.5-57.2000110.6D185 H186 K191 R192 V193D185-N189 WeakPolarHBondContact O-CB 3.35Å; D185-N189 PolarHBondContact O-N 2.97Å; D185-N189 PolarHBondContact O-ND2 3.02Å; D185-N189 PolarHBondContact OD1-ND2 3.48Å; D185-N189 PolarHBondContact OD2-ND2 3.25Å; H186-N189 PolarHBondContact O-N 3.47Å; N189-K191 PolarHBondContact O-N 2.92Å; N189-R192 WeakPolarHBondContact O-CB 3.43Å; N189-R192 PolarHBondContact O-N 3.2Å; N189-R192 VanDerWaalsContact O-N 3.13Å; N189-R192 PolarHBondContact OD1-NH1 3.41Å; N189-R192 PolarHBondContact OD1-NH2 2.96Å; N189-V193 WeakPolarHBondContact O-CG2 3.13Å; N189-V193 PolarHBondContact O-N 3.17Å
190M83.6Confident78.7Confident87 Ų8783.9 Ų83.943%0.42943%0.43SS..Hα-helixtrans-62.1-42.3178.5-165.263.668.400111.9H186 Y187 R192 V193 I194H186-M190 WeakPolarHBondContact O-CB 3.29Å; H186-M190 PolarHBondContact O-N 3.32Å; Y187-M190 PolarHBondContact O-N 2.88Å; M190-R192 VanDerWaalsContact C-N 3.25Å; M190-R192 PolarHBondContact O-N 3.32Å; M190-V193 PolarHBondContact O-N 3.15Å; M190-I194 HydrophobicContact CG-CD1 3.85Å; M190-I194 WeakPolarHBondContact O-CG1 3.39Å; M190-I194 PolarHBondContact O-N 3.41Å; M190-I194 HydrophobicContact SD-CD1 4.39Å
191K79.7Confident77.4Confident7 Ų783.9 Ų83.93%0.0343%0.434CS..Hα-helixtrans-56.8-35.6174.1-161.9-167.7-176.4-170.50112.2Y187 N189 S195 P201 L205 S206 D210Y187-K191 HydrophobicContact CE1-CD 4.33Å; Y187-K191 VanDerWaalsContact O-CB 3.31Å; Y187-K191 WeakPolarHBondContact O-CB 3.28Å; Y187-K191 PolarHBondContact O-N 2.87Å; N189-K191 PolarHBondContact O-N 2.92Å; K191-S195 PolarHBondContact O-N 3.37Å; K191-S195 PolarHBondContact O-OG 3.18Å; K191-P201 HydrophobicContact CB-CB 4.28Å; K191-P201 HydrophobicContact CD-CB 3.51Å; K191-P201 HydrophobicContact CD-CG 4.34Å; K191-P201 HydrophobicContact CG-CB 3.56Å; K191-L205 WeakPolarHBondContact CE-O 3.44Å; K191-L205 HydrophobicContact CG-CB 4.05Å; K191-S206 PolarHBondContact NZ-OG 2.86Å; K191-D210 IonicContact NZ-OD1 2.72Å; K191-D210 PolarHBondContact NZ-OD1 2.95Å
192R78.6Confident76.3Confident95 Ų9584.2 Ų84.236%0.35844%0.436SS..Hα-helixtrans-78.9-24.7174.5-77.3-178.3-87.4114-6.6114.5D185 Q188 N189 M190 S195D185-R192 IonicContact OD1-NH2 3.12Å; Q188-R192 WeakPolarHBondContact O-CG 3.48Å; Q188-R192 PolarHBondContact O-N 3.44Å; Q188-R192 VanDerWaalsContact O-N 3.15Å; Q188-R192 PolarHBondContact O-NE 2.89Å; N189-R192 WeakPolarHBondContact O-CB 3.43Å; N189-R192 PolarHBondContact O-N 3.2Å; N189-R192 VanDerWaalsContact O-N 3.13Å; N189-R192 PolarHBondContact OD1-NH1 3.41Å; N189-R192 PolarHBondContact OD1-NH2 2.96Å; M190-R192 VanDerWaalsContact C-N 3.25Å; M190-R192 PolarHBondContact O-N 3.32Å; R192-S195 WeakPolarHBondContact CA-OG 3.2Å; R192-S195 PolarHBondContact O-OG 3.33Å
193V80.5Confident75.1Confident113 Ų11388.9 Ų88.969%0.68545%0.452SS*.Hα-helixtrans-80.1-34.1175.7170.80000111.5N189 M190N189-V193 WeakPolarHBondContact O-CG2 3.13Å; N189-V193 PolarHBondContact O-N 3.17Å; M190-V193 PolarHBondContact O-N 3.15Å
194I77.6Confident74Confident108 Ų10887.7 Ų87.755%0.55445%0.453SS*.Hα-helixtrans-80.5-26.8-179.5-65.5170.6000112.2M190 V196 L205M190-I194 HydrophobicContact CG-CD1 3.85Å; M190-I194 WeakPolarHBondContact O-CG1 3.39Å; M190-I194 PolarHBondContact O-N 3.41Å; M190-I194 HydrophobicContact SD-CD1 4.39Å; I194-V196 PolarHBondContact O-N 2.96Å; I194-L205 HydrophobicContact CB-CD1 4.35Å; I194-L205 HydrophobicContact CG2-CD1 3.87Å
195S74.6Confident73Confident7 Ų789.6 Ų89.65%0.04946%0.464CS..SBendtrans-65.5127.2178.148.10000112.8K191 R192 D197 K200K191-S195 PolarHBondContact O-N 3.37Å; K191-S195 PolarHBondContact O-OG 3.18Å; R192-S195 WeakPolarHBondContact CA-OG 3.2Å; R192-S195 PolarHBondContact O-OG 3.33Å; S195-D197 VanDerWaalsContact C-N 3.26Å; S195-D197 CarbonylContact O-C 3.54Å; S195-D197 PolarHBondContact O-N 3.34Å; S195-D197 PolarHBondContact OG-O 3.12Å; S195-K200 WeakPolarHBondContact CB-O 3.48Å; S195-K200 PolarHBondContact OG-O 2.89Å
196V64.1Low72.1Confident151 Ų15188.2 Ų88.292%0.91546%0.461SS*.SBendtrans-53.9-42.1-178.9-178.30000112.2I194I194-V196 PolarHBondContact O-N 2.96Å
197D64.1Low71.3Confident97 Ų9790.1 Ų90.152%0.51947%0.474SS..SBendtrans-89.4101.1166.2-174.8-15.6000108.5S195 S199 K200S195-D197 VanDerWaalsContact C-N 3.26Å; S195-D197 CarbonylContact O-C 3.54Å; S195-D197 PolarHBondContact O-N 3.34Å; S195-D197 PolarHBondContact OG-O 3.12Å; D197-S199 VanDerWaalsContact CG-OG 3.31Å; D197-S199 PolarHBondContact O-N 3.29Å; D197-S199 WeakPolarHBondContact OD1-CB 3.32Å; D197-S199 PolarHBondContact OD1-N 2.64Å; D197-S199 PolarHBondContact OD1-OG 2.64Å; D197-K200 PolarHBondContact O-N 3Å
198K63.6Low70.7Confident180 Ų18089.9 Ų89.978%0.78348%0.477SS*.THydrogen-bonded Turntrans-58.7-5-175.1-62.3178.4179.9177.80114.8
199S60.8Low70.4Confident78 Ų7896.4 Ų96.455%0.54551%0.505SS..THydrogen-bonded Turntrans-90.1-21.1177.171.70000114.3D197D197-S199 VanDerWaalsContact CG-OG 3.31Å; D197-S199 PolarHBondContact O-N 3.29Å; D197-S199 WeakPolarHBondContact OD1-CB 3.32Å; D197-S199 PolarHBondContact OD1-N 2.64Å; D197-S199 PolarHBondContact OD1-OG 2.64Å
200K59.1Low69.8Low147 Ų14797.6 Ų97.664%0.63951%0.511SS*.SBendtrans-142.6124.5-169.8-72.9171.8-173.4163.50112.3S195 D197S195-K200 WeakPolarHBondContact CB-O 3.48Å; S195-K200 PolarHBondContact OG-O 2.89Å; D197-K200 PolarHBondContact O-N 3Å
201P61.3Low69.5Low49 Ų4998.7 Ų98.732%0.31852%0.519SS..  trans-63.1142176.727.4-34.1000111.3K191K191-P201 HydrophobicContact CB-CB 4.28Å; K191-P201 HydrophobicContact CD-CB 3.51Å; K191-P201 HydrophobicContact CD-CG 4.34Å; K191-P201 HydrophobicContact CG-CB 3.56Å
202D64.2Low69.5Low80 Ų80102.5 Ų102.543%0.42854%0.535SS..  trans-65.8135.9178.7-165.7-24.1000110.9A204 L205D202-A204 PolarHBondContact O-N 3.1Å; D202-A204 PolarHBondContact OD1-N 3.11Å; D202-L205 HydrophobicContact CB-CD1 4.22Å; D202-L205 HydrophobicContact CB-CG 4.21Å; D202-L205 PolarHBondContact O-N 3.25Å; D202-L205 VanDerWaalsContact O-N 3.11Å
203K66Low69.7Low192 Ų19298.8 Ų98.884%0.83552%0.522SS*.G310 helixtrans-61.4-31.8173.9-72.2-176.1175.3-178.60111.9L205 S206K203-L205 PolarHBondContact O-N 3.28Å; K203-S206 VanDerWaalsContact O-CB 3.29Å; K203-S206 WeakPolarHBondContact O-CB 3.27Å; K203-S206 PolarHBondContact O-N 3.47Å; K203-S206 VanDerWaalsContact O-N 3.11Å
204A64.9Low69.9Low79 Ų7997 Ų9765%0.65351%0.508SS*.G310 helixtrans-62.8-26175.800000112.9D202D202-A204 PolarHBondContact O-N 3.1Å; D202-A204 PolarHBondContact OD1-N 3.11Å
205L65.9Low70.2Confident65 Ų6595.8 Ų95.834%0.3450%0.503SS..G310 helixtrans-93.79.9177.6-57.7176.2000112.8Y187 K191 I194 D202 K203 L207Y187-L205 PolarHBondContact OH-O 2.83Å; K191-L205 WeakPolarHBondContact CE-O 3.44Å; K191-L205 HydrophobicContact CG-CB 4.05Å; I194-L205 HydrophobicContact CB-CD1 4.35Å; I194-L205 HydrophobicContact CG2-CD1 3.87Å; D202-L205 HydrophobicContact CB-CD1 4.22Å; D202-L205 HydrophobicContact CB-CG 4.21Å; D202-L205 PolarHBondContact O-N 3.25Å; D202-L205 VanDerWaalsContact O-N 3.11Å; K203-L205 PolarHBondContact O-N 3.28Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 2.99Å; L205-L207 VanDerWaalsContact O-N 3.13Å
206S67.6Low70.8Confident55 Ų5597.5 Ų97.539%0.38551%0.511SS..  trans-90.850.8-171.9-153.30000114.1K191 K203K191-S206 PolarHBondContact NZ-OG 2.86Å; K203-S206 VanDerWaalsContact O-CB 3.29Å; K203-S206 WeakPolarHBondContact O-CB 3.27Å; K203-S206 PolarHBondContact O-N 3.47Å; K203-S206 VanDerWaalsContact O-N 3.11Å
207L71.6Confident71.8Confident157 Ų15794.1 Ų94.182%0.82248%0.484SS*.  trans-68.5-31.3-178.6-61.6177.2000113.9L205L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 2.99Å; L205-L207 VanDerWaalsContact O-N 3.13Å
208I72.9Confident72.9Confident62 Ų6294.1 Ų94.132%0.31848%0.484SS..SBendtrans-109139.7178.2-55.3177.2000108.1Y187 F212Y187-I208 HydrophobicContact CE1-CB 4.28Å; Y187-I208 HydrophobicContact CE1-CD1 4.36Å; I208-F212 HydrophobicContact CG2-CB 3.76Å; I208-F212 HydrophobicContact CG2-CD1 3.84Å; I208-F212 HydrophobicContact CG2-CG 3.86Å
209K74Confident74Confident159 Ų15990.5 Ų90.569%0.69147%0.472SS*.  trans-66.2138.1173-67.7-175.4178.3-177.10110D211 F212K209-D211 PolarHBondContact O-N 3.27Å; K209-F212 WeakPolarHBondContact O-CB 3.41Å; K209-F212 PolarHBondContact O-N 3.33Å; K209-F212 VanDerWaalsContact O-N 3.07Å
210D70.5Confident75.2Confident82 Ų8287.1 Ų87.144%0.43945%0.448SS..THydrogen-bonded Turntrans-64.1-32.7-177.3-54.7-41.9000111.6H184 Q188 K191 F212H184-D210 PolarHBondContact CE1-O 2.78Å; H184-D210 PolarHBondContact NE2-O 3.1Å; Q188-D210 PolarHBondContact NE2-OD1 3.25Å; Q188-D210 PolarHBondContact OE1-OD1 2.84Å; K191-D210 IonicContact NZ-OD1 2.72Å; K191-D210 PolarHBondContact NZ-OD1 2.95Å; D210-F212 VanDerWaalsContact C-N 3.28Å; D210-F212 PolarHBondContact O-N 3.46Å
211D77.4Confident76.5Confident109 Ų10984.3 Ų84.358%0.58344%0.44SS*.THydrogen-bonded Turntrans-79.98.4175.9-41.2-50.3000114.9K209 F213 D214 N215K209-D211 PolarHBondContact O-N 3.27Å; D211-F213 VanDerWaalsContact C-N 3.32Å; D211-F213 PolarHBondContact O-N 3.37Å; D211-D214 PolarHBondContact O-N 3.34Å; D211-N215 WeakPolarHBondContact CB-ND2 3.36Å; D211-N215 PolarHBondContact O-N 3Å; D211-N215 PolarHBondContact O-ND2 3.26Å
212F80.8Confident77.7Confident87 Ų8788.6 Ų88.638%0.38246%0.456SS..Hα-helixtrans-56.5-41.7-169.4173.4-119.8000113.6M180 I208 K209 D210 I216M180-F212 HydrophobicContact CE-CD1 3.76Å; M180-F212 HydrophobicContact CE-CE1 3.31Å; M180-F212 HydrophobicContact CE-CZ 3.79Å; I208-F212 HydrophobicContact CG2-CB 3.76Å; I208-F212 HydrophobicContact CG2-CD1 3.84Å; I208-F212 HydrophobicContact CG2-CG 3.86Å; K209-F212 WeakPolarHBondContact O-CB 3.41Å; K209-F212 PolarHBondContact O-N 3.33Å; K209-F212 VanDerWaalsContact O-N 3.07Å; D210-F212 VanDerWaalsContact C-N 3.28Å; D210-F212 PolarHBondContact O-N 3.46Å; F212-I216 HydrophobicContact CD2-CD1 4.04Å; F212-I216 HydrophobicContact CE1-CD1 4.21Å; F212-I216 HydrophobicContact CE2-CD1 3.42Å; F212-I216 VanDerWaalsContact CE2-CD1 3.42Å; F212-I216 HydrophobicContact CE2-CG1 4.49Å; F212-I216 HydrophobicContact CZ-CD1 3.52Å; F212-I216 PolarHBondContact O-N 2.82Å
213F82.6Confident78.6Confident18 Ų1887.2 Ų87.28%0.07945%0.446CS..Hα-helixtrans-64.4-50.7177.8178.2-105.3000112.5L177 M180 L181 D211 N215 I216 K217L177-F213 HydrophobicContact CB-CE2 4.2Å; L177-F213 HydrophobicContact CD2-CE2 3.99Å; L177-F213 VanDerWaalsContact O-CE2 3.23Å; L177-F213 WeakPolarHBondContact O-CE2 3.27Å; M180-F213 HydrophobicContact CG-CD2 4.4Å; L181-F213 HydrophobicContact CB-CD2 4.14Å; L181-F213 HydrophobicContact CB-CE1 4.3Å; L181-F213 HydrophobicContact CB-CE2 3.84Å; L181-F213 HydrophobicContact CB-CZ 3.92Å; L181-F213 HydrophobicContact CD1-CD1 3.83Å; L181-F213 HydrophobicContact CD1-CE1 3.99Å; L181-F213 HydrophobicContact CD1-CG 4.14Å; L181-F213 HydrophobicContact CD1-CZ 4.47Å; L181-F213 HydrophobicContact CD2-CE1 4.16Å; L181-F213 HydrophobicContact CD2-CZ 4.26Å; L181-F213 HydrophobicContact CG-CE1 4.38Å; L181-F213 HydrophobicContact CG-CZ 4.45Å; D211-F213 VanDerWaalsContact C-N 3.32Å; D211-F213 PolarHBondContact O-N 3.37Å; F213-N215 VanDerWaalsContact C-N 3.3Å; F213-N215 PolarHBondContact O-N 3.47Å; F213-I216 PolarHBondContact O-N 2.88Å; F213-I216 VanDerWaalsContact O-N 3.15Å; F213-K217 HydrophobicContact CD1-CD 4.45Å; F213-K217 HydrophobicContact CE1-CD 3.83Å; F213-K217 HydrophobicContact CZ-CD 4.31Å; F213-K217 WeakPolarHBondContact O-CB 3.14Å; F213-K217 PolarHBondContact O-N 2.72Å
214D83.8Confident79.3Confident75 Ų7580.1 Ų80.140%0.40142%0.416SS..Hα-helixtrans-67.1-30.6-178.9-72.5-67.3000112.5D211 K217 N218D211-D214 PolarHBondContact O-N 3.34Å; D214-K217 IonicContact OD1-NZ 2.7Å; D214-K217 PolarHBondContact OD1-NZ 2.98Å; D214-K217 VanDerWaalsContact OD1-NZ 3.11Å; D214-N218 VanDerWaalsContact O-CB 3.25Å; D214-N218 WeakPolarHBondContact O-CB 3.18Å; D214-N218 PolarHBondContact O-N 2.91Å; D214-N218 PolarHBondContact O-ND2 3.04Å; D214-N218 VanDerWaalsContact O-ND2 3.11Å
215N85.6Confident80.2Confident82 Ų8280.5 Ų80.544%0.43941%0.405SS..Hα-helixtrans-59.8-48.5169.6-81.9-88000111.8D211 F213 N218 I219D211-N215 WeakPolarHBondContact CB-ND2 3.36Å; D211-N215 PolarHBondContact O-N 3Å; D211-N215 PolarHBondContact O-ND2 3.26Å; F213-N215 VanDerWaalsContact C-N 3.3Å; F213-N215 PolarHBondContact O-N 3.47Å; N215-N218 PolarHBondContact O-N 3.44Å; N215-I219 WeakPolarHBondContact O-CD1 3.33Å; N215-I219 VanDerWaalsContact O-CG1 3.27Å; N215-I219 WeakPolarHBondContact O-CG1 3.38Å; N215-I219 PolarHBondContact O-N 2.78Å
216I86.1Confident81Confident43 Ų4383.6 Ų83.622%0.22141%0.412CS..Hα-helixtrans-67.2-42.6179.3-80.5167.2000111.6L177 M180 F212 F213 N218 I219 V220L177-I216 HydrophobicContact CD2-CG2 4.27Å; M180-I216 HydrophobicContact CE-CB 4.26Å; M180-I216 HydrophobicContact CE-CD1 3.38Å; M180-I216 HydrophobicContact CE-CG1 4.39Å; M180-I216 HydrophobicContact CE-CG2 4.27Å; M180-I216 HydrophobicContact SD-CG2 4.5Å; F212-I216 HydrophobicContact CD2-CD1 4.04Å; F212-I216 HydrophobicContact CE1-CD1 4.21Å; F212-I216 HydrophobicContact CE2-CD1 3.42Å; F212-I216 VanDerWaalsContact CE2-CD1 3.42Å; F212-I216 HydrophobicContact CE2-CG1 4.49Å; F212-I216 HydrophobicContact CZ-CD1 3.52Å; F212-I216 PolarHBondContact O-N 2.82Å; F213-I216 PolarHBondContact O-N 2.88Å; F213-I216 VanDerWaalsContact O-N 3.15Å; I216-N218 VanDerWaalsContact C-N 3.32Å; I216-N218 PolarHBondContact O-N 2.64Å; I216-I219 PolarHBondContact O-N 2.88Å; I216-V220 WeakPolarHBondContact O-CG2 3.41Å; I216-V220 PolarHBondContact O-N 3.18Å
217K85.5Confident81.2Confident81 Ų8182 Ų8235%0.35240%0.398SS..Hα-helixtrans-57.4-43173.3178.5179.9165.6-163.90112.1F213 D214 V220 L221F213-K217 HydrophobicContact CD1-CD 4.45Å; F213-K217 HydrophobicContact CE1-CD 3.83Å; F213-K217 HydrophobicContact CZ-CD 4.31Å; F213-K217 WeakPolarHBondContact O-CB 3.14Å; F213-K217 PolarHBondContact O-N 2.72Å; D214-K217 IonicContact OD1-NZ 2.7Å; D214-K217 PolarHBondContact OD1-NZ 2.98Å; D214-K217 VanDerWaalsContact OD1-NZ 3.11Å; K217-V220 PolarHBondContact O-N 2.56Å; K217-L221 HydrophobicContact CG-CD1 4.27Å; K217-L221 WeakPolarHBondContact O-CB 3.17Å; K217-L221 VanDerWaalsContact O-CG 3.29Å; K217-L221 WeakPolarHBondContact O-CG 3.5Å; K217-L221 PolarHBondContact O-N 2.94Å
218N87.8Confident81.3Confident96 Ų9679.3 Ų79.351%0.51338%0.38SS..Hα-helixtrans-65.3-44.9175.8-71.9-23.6000111.9D214 N215 I216 V220 L221 E222D214-N218 VanDerWaalsContact O-CB 3.25Å; D214-N218 WeakPolarHBondContact O-CB 3.18Å; D214-N218 PolarHBondContact O-N 2.91Å; D214-N218 PolarHBondContact O-ND2 3.04Å; D214-N218 VanDerWaalsContact O-ND2 3.11Å; N215-N218 PolarHBondContact O-N 3.44Å; I216-N218 VanDerWaalsContact C-N 3.32Å; I216-N218 PolarHBondContact O-N 2.64Å; N218-V220 VanDerWaalsContact C-N 3.3Å; N218-V220 PolarHBondContact O-N 3.08Å; N218-L221 PolarHBondContact O-N 3.29Å; N218-E222 WeakPolarHBondContact O-CB 3.41Å; N218-E222 PolarHBondContact O-N 2.82Å
219I86.9Confident81.5Confident104 Ų10480.6 Ų80.653%0.53339%0.388SS..Hα-helixtrans-59.5-40.1175.3-68.9162000111.4N215 I216 H223N215-I219 WeakPolarHBondContact O-CD1 3.33Å; N215-I219 VanDerWaalsContact O-CG1 3.27Å; N215-I219 WeakPolarHBondContact O-CG1 3.38Å; N215-I219 PolarHBondContact O-N 2.78Å; I216-I219 PolarHBondContact O-N 2.88Å; I219-H223 WeakPolarHBondContact O-CB 3.44Å; I219-H223 PolarHBondContact O-N 3.27Å
220V85.6Confident81.3Confident7 Ų781.7 Ų81.74%0.04239%0.387CS..Hα-helixtrans-66.7-42.9176.2170.90000111.6I172 I216 K217 N218 H223 Q224I172-V220 HydrophobicContact CB-CG2 4.32Å; I172-V220 HydrophobicContact CD1-CG2 3.57Å; I172-V220 HydrophobicContact CG2-CG2 3.96Å; I216-V220 WeakPolarHBondContact O-CG2 3.41Å; I216-V220 PolarHBondContact O-N 3.18Å; K217-V220 PolarHBondContact O-N 2.56Å; N218-V220 VanDerWaalsContact C-N 3.3Å; N218-V220 PolarHBondContact O-N 3.08Å; V220-H223 PolarHBondContact O-N 3.07Å; V220-Q224 WeakPolarHBondContact O-CB 3.28Å; V220-Q224 VanDerWaalsContact O-CG 3.31Å; V220-Q224 WeakPolarHBondContact O-CG 3.32Å; V220-Q224 PolarHBondContact O-N 2.78Å
221L85Confident81Confident88 Ų8883.4 Ų83.446%0.46139%0.391SS..Hα-helixtrans-66.5-38.6176.6-71.3169.8000112.2K217 N218 Q224 Q225K217-L221 HydrophobicContact CG-CD1 4.27Å; K217-L221 WeakPolarHBondContact O-CB 3.17Å; K217-L221 VanDerWaalsContact O-CG 3.29Å; K217-L221 WeakPolarHBondContact O-CG 3.5Å; K217-L221 PolarHBondContact O-N 2.94Å; N218-L221 PolarHBondContact O-N 3.29Å; L221-Q224 WeakPolarHBondContact O-CB 3.34Å; L221-Q224 PolarHBondContact O-N 2.87Å; L221-Q225 WeakPolarHBondContact O-CB 3.2Å; L221-Q225 PolarHBondContact O-N 2.81Å
222E86.9Confident79.7Confident140 Ų14083.5 Ų83.565%0.65439%0.391SS*.Hα-helixtrans-62.7-49.4173.3-174.8-178.3-177.300111N218 Q224 Q225 W226N218-E222 WeakPolarHBondContact O-CB 3.41Å; N218-E222 PolarHBondContact O-N 2.82Å; E222-Q224 VanDerWaalsContact C-N 3.33Å; E222-Q224 PolarHBondContact O-N 3.43Å; E222-Q225 PolarHBondContact O-N 2.92Å; E222-Q225 VanDerWaalsContact O-N 3.07Å; E222-W226 WeakPolarHBondContact O-CB 3.45Å; E222-W226 PolarHBondContact O-N 3.47Å
223H83Confident78.3Confident50 Ų5085 Ų8523%0.23141%0.409CS..Hα-helixtrans-59.6-42.3175.5178.2-90.6000111.9I219 V220 Q225 W226 H227I219-H223 WeakPolarHBondContact O-CB 3.44Å; I219-H223 PolarHBondContact O-N 3.27Å; V220-H223 PolarHBondContact O-N 3.07Å; H223-Q225 VanDerWaalsContact C-N 3.32Å; H223-Q225 PolarHBondContact O-N 3.4Å; H223-W226 AromaticContact NE2-CZ3 3.88Å; H223-H227 WeakPolarHBondContact O-CB 3.42Å; H223-H227 PolarHBondContact O-N 3.03Å
224Q80.8Confident76.4Confident43 Ų4388 Ų8820%0.20143%0.433CS..Hα-helixtrans-59.4-41.3172.8-79.3-179.133.100112.5M169 V220 L221 E222 K228M169-Q224 HydrophobicContact CE-CG 4.06Å; M169-Q224 HydrophobicContact SD-CG 3.37Å; M169-Q224 WeakPolarHBondContact SD-CG 3.48Å; V220-Q224 WeakPolarHBondContact O-CB 3.28Å; V220-Q224 VanDerWaalsContact O-CG 3.31Å; V220-Q224 WeakPolarHBondContact O-CG 3.32Å; V220-Q224 PolarHBondContact O-N 2.78Å; L221-Q224 WeakPolarHBondContact O-CB 3.34Å; L221-Q224 PolarHBondContact O-N 2.87Å; E222-Q224 VanDerWaalsContact C-N 3.33Å; E222-Q224 PolarHBondContact O-N 3.43Å; Q224-K228 WeakPolarHBondContact O-CD 3.47Å; Q224-K228 WeakPolarHBondContact O-CG 3.37Å; Q224-K228 PolarHBondContact O-N 2.94Å
225Q83.5Confident74.7Confident88 Ų8893 Ų9341%0.41146%0.459SS..Hα-helixtrans-71.3-51.4-177.8-175.252.337.600111.3L221 E222 H223 H227 K228 D229L221-Q225 WeakPolarHBondContact O-CB 3.2Å; L221-Q225 PolarHBondContact O-N 2.81Å; E222-Q225 PolarHBondContact O-N 2.92Å; E222-Q225 VanDerWaalsContact O-N 3.07Å; H223-Q225 VanDerWaalsContact C-N 3.32Å; H223-Q225 PolarHBondContact O-N 3.4Å; Q225-H227 PolarHBondContact O-N 3.38Å; Q225-K228 WeakPolarHBondContact O-CB 3.2Å; Q225-K228 PolarHBondContact O-N 2.78Å; Q225-D229 PolarHBondContact NE2-OD1 3.29Å; Q225-D229 PolarHBondContact NE2-OD2 3.06Å; Q225-D229 PolarHBondContact O-N 3.34Å
226W82.6Confident72.5Confident130 Ų13097.4 Ų97.449%0.49247%0.474SS..Hα-helixtrans-50.2-42171170.989.3000112.2E222 H223 D229 R230E222-W226 WeakPolarHBondContact O-CB 3.45Å; E222-W226 PolarHBondContact O-N 3.47Å; H223-W226 AromaticContact NE2-CZ3 3.88Å; W226-D229 PolarHBondContact O-N 3.18Å; W226-R230 WeakPolarHBondContact O-CB 3.44Å; W226-R230 PolarHBondContact O-N 2.94Å
227H72.6Confident70.2Confident22 Ų22100.5 Ų100.510%0.10250%0.5CS..Hα-helixtrans-67.9-39.6177.9177.4-153.8000113S165 D166 H223 Q225 K231S165-H227 VanDerWaalsContact CB-NE2 3.29Å; S165-H227 WeakPolarHBondContact CB-NE2 3.33Å; S165-H227 PolarHBondContact O-CE1 3.05Å; S165-H227 PolarHBondContact O-NE2 3.36Å; S165-H227 PolarHBondContact OG-CE1 3.37Å; S165-H227 PolarHBondContact OG-NE2 3.15Å; D166-H227 IonicContact OD1-CE1 3.12Å; D166-H227 PolarHBondContact OD1-CE1 2.92Å; H223-H227 WeakPolarHBondContact O-CB 3.42Å; H223-H227 PolarHBondContact O-N 3.03Å; Q225-H227 PolarHBondContact O-N 3.38Å; H227-K231 PolarHBondContact CE1-NZ 3.48Å; H227-K231 VanDerWaalsContact CE1-NZ 3.26Å; H227-K231 WeakPolarHBondContact NE2-CD 3.23Å; H227-K231 WeakPolarHBondContact NE2-CE 3.16Å; H227-K231 PolarHBondContact NE2-NZ 2.79Å; H227-K231 WeakPolarHBondContact O-CB 3.25Å; H227-K231 PolarHBondContact O-N 2.85Å
228K74.3Confident68.4Low100 Ų100106.6 Ų106.644%0.43553%0.526SS..Hα-helixtrans-62.6-45.8173.3-71.2158.8-165.6163.50111Q224 Q225 K231 N232Q224-K228 WeakPolarHBondContact O-CD 3.47Å; Q224-K228 WeakPolarHBondContact O-CG 3.37Å; Q224-K228 PolarHBondContact O-N 2.94Å; Q225-K228 WeakPolarHBondContact O-CB 3.2Å; Q225-K228 PolarHBondContact O-N 2.78Å; K228-K231 PolarHBondContact O-N 2.8Å; K228-N232 PolarHBondContact O-N 2.72Å
229D76.7Confident66.2Low89 Ų89108.8 Ų108.848%0.47654%0.536SS..Hα-helixtrans-68.5-37.1-179.3-63.4-33.5000111.7Q225 W226 K231 N232Q225-D229 PolarHBondContact NE2-OD1 3.29Å; Q225-D229 PolarHBondContact NE2-OD2 3.06Å; Q225-D229 PolarHBondContact O-N 3.34Å; W226-D229 PolarHBondContact O-N 3.18Å; D229-K231 VanDerWaalsContact C-N 3.35Å; D229-K231 PolarHBondContact O-N 3.16Å; D229-N232 CarbonylContact O-C 3.49Å; D229-N232 PolarHBondContact O-N 2.7Å
230R69.8Low63.6Low181 Ų181110.1 Ų110.168%0.68354%0.544SS*.Hα-helixtrans-69-29.1173.9-164.6174.4-173.8-1550.9113.2W226W226-R230 WeakPolarHBondContact O-CB 3.44Å; W226-R230 PolarHBondContact O-N 2.94Å
231K63.3Low61.1Low118 Ų118116.8 Ų116.851%0.51358%0.58SS.*Hα-helixtrans-78.1-33.6170.9-84.9179168.1163.20112.9S165 H227 K228 D229 P233S165-K231 PolarHBondContact OG-NZ 3.42Å; H227-K231 PolarHBondContact CE1-NZ 3.48Å; H227-K231 VanDerWaalsContact CE1-NZ 3.26Å; H227-K231 WeakPolarHBondContact NE2-CD 3.23Å; H227-K231 WeakPolarHBondContact NE2-CE 3.16Å; H227-K231 PolarHBondContact NE2-NZ 2.79Å; H227-K231 WeakPolarHBondContact O-CB 3.25Å; H227-K231 PolarHBondContact O-N 2.85Å; K228-K231 PolarHBondContact O-N 2.8Å; D229-K231 VanDerWaalsContact C-N 3.35Å; D229-K231 PolarHBondContact O-N 3.16Å; K231-P233 VanDerWaalsContact C-CD 3.44Å; K231-P233 VanDerWaalsContact O-CD 3.29Å; K231-P233 WeakPolarHBondContact O-CD 3.37Å
232N50.8Low58.4Low112 Ų112116.2 Ų116.260%0.59960%0.595SS**  trans-118.377.3-179.7-69.7-50000111.9K228 D229 S234K228-N232 PolarHBondContact O-N 2.72Å; D229-N232 CarbonylContact O-C 3.49Å; D229-N232 PolarHBondContact O-N 2.7Å; N232-S234 PolarHBondContact O-N 3.07Å
233P50.5Low56.1Low117 Ų117119.2 Ų119.276%0.7661%0.609SS**  trans-70.367.5168.331.6-36000110.7K231K231-P233 VanDerWaalsContact C-CD 3.44Å; K231-P233 VanDerWaalsContact O-CD 3.29Å; K231-P233 WeakPolarHBondContact O-CD 3.37Å
234S42.9Very low53.8Low81 Ų81126.2 Ų126.257%0.56664%0.642SS**  trans-80.1150.3169.271.40000109.7N232 K236N232-S234 PolarHBondContact O-N 3.07Å; S234-K236 PolarHBondContact O-N 3.15Å
235L48.6Very low52Low182 Ų182134.3 Ų134.395%0.95368%0.676SS**SBendtrans-69.998.2-179.6-73.876.9000110.1
236K39.7Very low49.6Very low174 Ų174139 Ų13976%0.75770%0.701SS**  trans-136.7142.5166.5-70.5-166174.1-173.90111S234S234-K236 PolarHBondContact O-N 3.15Å
237S38.2Very low47.8Very low108 Ų108142.3 Ų142.376%0.75572%0.722SS**  trans44.972.7172.356.50000117.5
238K46.3Very low46.4Very low208 Ų208145 Ų14590%0.90476%0.755SS**  -86.5107.2109.4-92.4-165.7174.8-170.30106.5
239I41.4Very low44.7Very low142 Ų142145.7 Ų145.773%0.72876%0.764SS**  trans-179.2128.2166.8-101.6153.2000105.3
240N33.2Very low43.5Very low132 Ų132145 Ų14571%0.70677%0.766SS**SBendtrans61.6134.5-179.8-66.753.5000116.6
241D32.2Very low42.5Very low148 Ų148142.3 Ų142.379%0.79176%0.761SS**  cis-147.1158.5-13-89.8-40.4000110.1
242G29.5Very low41.9Very low76 Ų76143.2 Ų143.278%0.78477%0.767SS**  trans138.3102.9177.100000112.5E244G242-E244 PolarHBondContact O-N 3.48Å
243E39.2Very low42.1Very low203 Ų203141.3 Ų141.395%0.94976%0.759SS**  trans-77.3114.6174.1-67.1-169.9112.900111.2
244E34.7Very low42.3Very low196 Ų196139.1 Ų139.192%0.91674%0.739SS**  trans-147.8142.8151.6-127.2173.7-13300111.2G242G242-E244 PolarHBondContact O-N 3.48Å
245K41.6Very low43Very low213 Ų213142.5 Ų142.593%0.92674%0.74SS**  trans-93.9116.9-167.5-65.5171.2-177.31690111.3
246M34.3Very low43.9Very low188 Ų188137.9 Ų137.993%0.92672%0.722SS**  trans-149148.2150.9-139.3174.2-172.600113.1
247E44Very low45.5Very low198 Ų198135.4 Ų135.493%0.92571%0.713SS**  trans-76.9132.9-170-62.5165.8101.600112.4
248G43.2Very low47.3Very low78 Ų78136.9 Ų136.980%0.80470%0.702SS**  trans-168.58.4-178.700000118.7
249N38Very low48.8Very low115 Ų115129.9 Ų129.962%0.61568%0.683SS**  trans-125.711.9-170.3-149.480.7000115.9Q251N249-Q251 PolarHBondContact O-N 3.35Å
250S51.7Low50.7Low74 Ų74128.4 Ų128.452%0.51767%0.672SS.*Hα-helixtrans-66.1-36.3-177.4530000114E252 T253 E254S250-E252 PolarHBondContact O-N 3.1Å; S250-T253 PolarHBondContact O-N 3.16Å; S250-E254 WeakPolarHBondContact O-CG 3.43Å; S250-E254 PolarHBondContact O-N 3.21Å; S250-E254 VanDerWaalsContact O-N 3.07Å
251Q50.3Low53Low126 Ų126124.7 Ų124.759%0.58966%0.657SS**Hα-helixtrans-68.6-23.2-168.5-71.2-160.710.500115.8N249 R255N249-Q251 PolarHBondContact O-N 3.35Å; Q251-R255 VanDerWaalsContact O-CD 3.23Å; Q251-R255 WeakPolarHBondContact O-CD 3.34Å; Q251-R255 WeakPolarHBondContact O-CG 3.23Å
252E48.8Very low55.3Low136 Ų136123.1 Ų123.164%0.63665%0.648SS**Hα-helixtrans-84.5-41.3175.7-69-156.513200111.9S250 E254 R255 C256S250-E252 PolarHBondContact O-N 3.1Å; E252-E254 PolarHBondContact O-N 3.07Å; E252-R255 WeakPolarHBondContact O-CB 3.5Å; E252-R255 PolarHBondContact O-N 3.39Å; E252-R255 VanDerWaalsContact O-N 3.07Å; E252-C256 PolarHBondContact O-N 2.98Å
253T55Low57.8Low72 Ų72122.3 Ų122.344%0.44263%0.634SS.*Hα-helixtrans-58.5-49.6174.7-38.40000111S250 R255 C256 E257S250-T253 PolarHBondContact O-N 3.16Å; T253-R255 PolarHBondContact O-N 2.89Å; T253-R255 VanDerWaalsContact O-N 3.15Å; T253-C256 PolarHBondContact O-N 3.16Å; T253-C256 VanDerWaalsContact O-N 3.16Å; T253-E257 PolarHBondContact O-N 3.1Å; T253-E257 VanDerWaalsContact O-N 3.1Å
254E55.5Low60.1Low72 Ų72118.3 Ų118.334%0.33661%0.613SS.*Hα-helixtrans-58-29.4175.6-73.9-175.8-168.300113.5S250 E252 R258S250-E254 WeakPolarHBondContact O-CG 3.43Å; S250-E254 PolarHBondContact O-N 3.21Å; S250-E254 VanDerWaalsContact O-N 3.07Å; E252-E254 PolarHBondContact O-N 3.07Å; E254-R258 WeakPolarHBondContact O-CB 3.42Å; E254-R258 VanDerWaalsContact O-CG 3.23Å; E254-R258 WeakPolarHBondContact O-CG 3.45Å; E254-R258 PolarHBondContact O-N 3.47Å; E254-R258 IonicContact OE2-CZ 3.39Å; E254-R258 IonicContact OE2-NH1 2.64Å; E254-R258 PolarHBondContact OE2-NH1 2.78Å; E254-R258 IonicContact OE2-NH2 2.67Å; E254-R258 PolarHBondContact OE2-NH2 3.06Å
255R57Low62.4Low152 Ų152114.2 Ų114.257%0.57460%0.597SS**Hα-helixtrans-74.5-38.3179.7-79.2170.6-172.9178.97.4111.6Q251 E252 T253 A259Q251-R255 VanDerWaalsContact O-CD 3.23Å; Q251-R255 WeakPolarHBondContact O-CD 3.34Å; Q251-R255 WeakPolarHBondContact O-CG 3.23Å; E252-R255 WeakPolarHBondContact O-CB 3.5Å; E252-R255 PolarHBondContact O-N 3.39Å; E252-R255 VanDerWaalsContact O-N 3.07Å; T253-R255 PolarHBondContact O-N 2.89Å; T253-R255 VanDerWaalsContact O-N 3.15Å; R255-A259 WeakPolarHBondContact O-CB 3.32Å; R255-A259 PolarHBondContact O-N 3.38Å; R255-A259 VanDerWaalsContact O-N 3.08Å
256C68.2Low64.4Low85 Ų85110.8 Ų110.857%0.57458%0.581SS**Hα-helixtrans-63.9-49171.6-83.40000111.5E252 T253 R258 A259 E260E252-C256 PolarHBondContact O-N 2.98Å; T253-C256 PolarHBondContact O-N 3.16Å; T253-C256 VanDerWaalsContact O-N 3.16Å; C256-R258 PolarHBondContact O-N 2.91Å; C256-A259 WeakPolarHBondContact O-CB 3.47Å; C256-A259 PolarHBondContact O-N 3.08Å; C256-E260 PolarHBondContact O-N 2.99Å
257E73.1Confident66.5Low122 Ų122105.4 Ų105.457%0.5756%0.562SS**Hα-helixtrans-61.6-40.2-179.4-68.2172.8-173.300112.8T253 E260 S261T253-E257 PolarHBondContact O-N 3.1Å; T253-E257 VanDerWaalsContact O-N 3.1Å; E257-E260 PolarHBondContact O-N 2.61Å; E257-S261 WeakPolarHBondContact O-CB 3.47Å; E257-S261 PolarHBondContact O-N 3.08Å; E257-S261 PolarHBondContact O-OG 3.11Å
258R76.8Confident68.4Low139 Ų139103.8 Ų103.853%0.52555%0.552SS.*Hα-helixtrans-65-38.6172.3-73.6179.9-169.9118.33.9112.3E254 C256 S261 L262E254-R258 WeakPolarHBondContact O-CB 3.42Å; E254-R258 VanDerWaalsContact O-CG 3.23Å; E254-R258 WeakPolarHBondContact O-CG 3.45Å; E254-R258 PolarHBondContact O-N 3.47Å; E254-R258 IonicContact OE2-CZ 3.39Å; E254-R258 IonicContact OE2-NH1 2.64Å; E254-R258 PolarHBondContact OE2-NH1 2.78Å; E254-R258 IonicContact OE2-NH2 2.67Å; E254-R258 PolarHBondContact OE2-NH2 3.06Å; C256-R258 PolarHBondContact O-N 2.91Å; R258-S261 WeakPolarHBondContact CA-OG 3.36Å; R258-S261 PolarHBondContact O-OG 3.06Å; R258-S261 VanDerWaalsContact O-OG 3.06Å; R258-L262 WeakPolarHBondContact O-CB 3.31Å; R258-L262 WeakPolarHBondContact O-CD1 3.26Å; R258-L262 VanDerWaalsContact O-CG 3.24Å; R258-L262 WeakPolarHBondContact O-CG 3.49Å; R258-L262 PolarHBondContact O-N 2.84Å; R258-L262 VanDerWaalsContact O-N 3.11Å
259A77.8Confident69.7Low61 Ų61103.2 Ų103.250%0.50454%0.54SS..Hα-helixtrans-65.9-42.9176.400000111.9R255 C256 A263R255-A259 WeakPolarHBondContact O-CB 3.32Å; R255-A259 PolarHBondContact O-N 3.38Å; R255-A259 VanDerWaalsContact O-N 3.08Å; C256-A259 WeakPolarHBondContact O-CB 3.47Å; C256-A259 PolarHBondContact O-N 3.08Å; A259-A263 WeakPolarHBondContact O-CB 3.49Å; A259-A263 PolarHBondContact O-N 3.06Å
260E81.1Confident71.3Confident110 Ų110104.6 Ų104.651%0.51454%0.541SS..Hα-helixtrans-65.6-45.2176.5-79.6-161.5-156.500113.4C256 E257 L262 A263 K264C256-E260 PolarHBondContact O-N 2.99Å; E257-E260 PolarHBondContact O-N 2.61Å; E260-L262 VanDerWaalsContact C-N 3.34Å; E260-L262 PolarHBondContact O-N 2.94Å; E260-A263 WeakPolarHBondContact O-CB 3.24Å; E260-A263 PolarHBondContact O-N 2.91Å; E260-A263 VanDerWaalsContact O-N 3.15Å; E260-K264 WeakPolarHBondContact O-CB 3.41Å; E260-K264 WeakPolarHBondContact O-CD 3.45Å; E260-K264 VanDerWaalsContact O-CG 3.31Å; E260-K264 WeakPolarHBondContact O-CG 3.42Å; E260-K264 PolarHBondContact O-N 3.02Å; E260-K264 IonicContact OE2-NZ 2.64Å; E260-K264 PolarHBondContact OE2-NZ 3.47Å
261S80.4Confident72.2Confident54 Ų54105.2 Ų105.238%0.37855%0.545SS..Hα-helixtrans-63.2-40.5178.751.40000111.4E257 R258 A263 K264 I265E257-S261 WeakPolarHBondContact O-CB 3.47Å; E257-S261 PolarHBondContact O-N 3.08Å; E257-S261 PolarHBondContact O-OG 3.11Å; R258-S261 WeakPolarHBondContact CA-OG 3.36Å; R258-S261 PolarHBondContact O-OG 3.06Å; R258-S261 VanDerWaalsContact O-OG 3.06Å; S261-A263 PolarHBondContact O-N 3.48Å; S261-K264 PolarHBondContact O-N 3.15Å; S261-I265 WeakPolarHBondContact O-CB 3.48Å; S261-I265 VanDerWaalsContact O-CG1 3.26Å; S261-I265 WeakPolarHBondContact O-CG1 3.32Å; S261-I265 PolarHBondContact O-N 2.63Å
262L80.9Confident72.8Confident116 Ų116104.8 Ų104.861%0.60755%0.551SS**Hα-helixtrans-62.9-37.8171.3-71.2171.2000112.7R258 E260 K266R258-L262 WeakPolarHBondContact O-CB 3.31Å; R258-L262 WeakPolarHBondContact O-CD1 3.26Å; R258-L262 VanDerWaalsContact O-CG 3.24Å; R258-L262 WeakPolarHBondContact O-CG 3.49Å; R258-L262 PolarHBondContact O-N 2.84Å; R258-L262 VanDerWaalsContact O-N 3.11Å; E260-L262 VanDerWaalsContact C-N 3.34Å; E260-L262 PolarHBondContact O-N 2.94Å; L262-K266 VanDerWaalsContact O-CB 3.32Å; L262-K266 WeakPolarHBondContact O-CB 3.43Å; L262-K266 PolarHBondContact O-N 3Å
263A81.9Confident73.2Confident58 Ų58103.3 Ų103.348%0.47955%0.551SS.*Hα-helixtrans-65.7-42.3173.800000112.3A259 E260 S261 K266 S267A259-A263 WeakPolarHBondContact O-CB 3.49Å; A259-A263 PolarHBondContact O-N 3.06Å; E260-A263 WeakPolarHBondContact O-CB 3.24Å; E260-A263 PolarHBondContact O-N 2.91Å; E260-A263 VanDerWaalsContact O-N 3.15Å; S261-A263 PolarHBondContact O-N 3.48Å; A263-K266 PolarHBondContact O-N 2.76Å; A263-S267 PolarHBondContact O-N 2.84Å; A263-S267 PolarHBondContact O-OG 3.41Å
264K88Confident73.2Confident119 Ų119106.8 Ų106.852%0.51757%0.565SS.*Hα-helixtrans-67.2-35.2176.9-72.1159.6176.8163.10112.4E260 S261 S267 K268E260-K264 WeakPolarHBondContact O-CB 3.41Å; E260-K264 WeakPolarHBondContact O-CD 3.45Å; E260-K264 VanDerWaalsContact O-CG 3.31Å; E260-K264 WeakPolarHBondContact O-CG 3.42Å; E260-K264 PolarHBondContact O-N 3.02Å; E260-K264 IonicContact OE2-NZ 2.64Å; E260-K264 PolarHBondContact OE2-NZ 3.47Å; S261-K264 PolarHBondContact O-N 3.15Å; K264-S267 PolarHBondContact O-OG 2.95Å; K264-S267 VanDerWaalsContact O-OG 3.14Å; K264-K268 WeakPolarHBondContact O-CG 3.37Å; K264-K268 PolarHBondContact O-N 3.29Å
265I82.6Confident73.2Confident111 Ų111112.2 Ų112.257%0.56959%0.591SS**Hα-helixtrans-67.2-46170.8-70.3162.8000110.1S261 K268 A269S261-I265 WeakPolarHBondContact O-CB 3.48Å; S261-I265 VanDerWaalsContact O-CG1 3.26Å; S261-I265 WeakPolarHBondContact O-CG1 3.32Å; S261-I265 PolarHBondContact O-N 2.63Å; I265-K268 PolarHBondContact O-N 2.86Å; I265-A269 WeakPolarHBondContact O-CB 3.47Å; I265-A269 PolarHBondContact O-N 3.29Å
266K83Confident73Confident140 Ų140109 Ų10961%0.60960%0.596SS**Hα-helixtrans-64-41.6-179.9-170.7177.6179.5-1770112.4L262 A263 A269 F270L262-K266 VanDerWaalsContact O-CB 3.32Å; L262-K266 WeakPolarHBondContact O-CB 3.43Å; L262-K266 PolarHBondContact O-N 3Å; A263-K266 PolarHBondContact O-N 2.76Å; K266-A269 PolarHBondContact O-N 3.47Å; K266-F270 HydrophobicContact CG-CD2 3.77Å; K266-F270 HydrophobicContact CG-CE2 4.05Å; K266-F270 WeakPolarHBondContact O-CD2 3.35Å; K266-F270 PolarHBondContact O-N 2.88Å; K266-F270 VanDerWaalsContact O-N 3.11Å
267S79.7Confident72.1Confident75 Ų75110.9 Ų110.952%0.52461%0.611SS.*Hα-helixtrans-65-39.1177.4620000112.2A263 K264 S271A263-S267 PolarHBondContact O-N 2.84Å; A263-S267 PolarHBondContact O-OG 3.41Å; K264-S267 PolarHBondContact O-OG 2.95Å; K264-S267 VanDerWaalsContact O-OG 3.14Å; S267-S271 WeakPolarHBondContact O-CB 3.44Å; S267-S271 PolarHBondContact O-N 2.9Å
268K82.4Confident71.3Confident165 Ų165114.4 Ų114.472%0.71762%0.624SS**Hα-helixtrans-66.5-39.2172.2-73.4-175.4176.1-173.60113.4K264 I265 F270 S271K264-K268 WeakPolarHBondContact O-CG 3.37Å; K264-K268 PolarHBondContact O-N 3.29Å; I265-K268 PolarHBondContact O-N 2.86Å; K268-F270 VanDerWaalsContact C-N 3.29Å; K268-F270 PolarHBondContact O-N 3.32Å; K268-S271 PolarHBondContact O-OG 3.35Å; K268-S271 VanDerWaalsContact O-OG 3.14Å
269A72.4Confident70.1Confident66 Ų66112.4 Ų112.455%0.54563%0.631SS.*Hα-helixtrans-69.6-24.4179.700000113.7I265 K266I265-A269 WeakPolarHBondContact O-CB 3.47Å; I265-A269 PolarHBondContact O-N 3.29Å; K266-A269 PolarHBondContact O-N 3.47Å
270F69.9Low68.9Low143 Ų143121.4 Ų121.463%0.62765%0.652SS**THydrogen-bonded Turntrans-116.510.5-178.5-67.8-74.5000114.2K266 K268 V273K266-F270 HydrophobicContact CG-CD2 3.77Å; K266-F270 HydrophobicContact CG-CE2 4.05Å; K266-F270 WeakPolarHBondContact O-CD2 3.35Å; K266-F270 PolarHBondContact O-N 2.88Å; K266-F270 VanDerWaalsContact O-N 3.11Å; K268-F270 VanDerWaalsContact C-N 3.29Å; K268-F270 PolarHBondContact O-N 3.32Å; F270-V273 WeakPolarHBondContact O-CG2 3.34Å
271S70.9Confident67.6Low88 Ų88126.6 Ų126.662%0.61567%0.667SS**THydrogen-bonded Turntrans-79-32.6169.558.90000112.2S267 K268 V273S267-S271 WeakPolarHBondContact O-CB 3.44Å; S267-S271 PolarHBondContact O-N 2.9Å; K268-S271 PolarHBondContact O-OG 3.35Å; K268-S271 VanDerWaalsContact O-OG 3.14Å; S271-V273 VanDerWaalsContact C-N 3.26Å; S271-V273 PolarHBondContact O-N 3.31Å; S271-V273 VanDerWaalsContact O-N 3.1Å
272V63.8Low66.1Low117 Ų117133.1 Ų133.171%0.70969%0.691SS**  trans-88.259.2178.1-165.80000110.8I274V272-I274 PolarHBondContact O-N 3.37Å
273V55.7Low64.5Low104 Ų104138.5 Ų138.563%0.6370%0.704SS**  trans-81.791168.2179.30000108.7F270 S271 Q275F270-V273 WeakPolarHBondContact O-CG2 3.34Å; S271-V273 VanDerWaalsContact C-N 3.26Å; S271-V273 PolarHBondContact O-N 3.31Å; S271-V273 VanDerWaalsContact O-N 3.1Å; V273-Q275 PolarHBondContact O-N 3.14Å
274I55.3Low62.8Low146 Ų146144.7 Ų144.775%0.74972%0.723SS**  trans-56.9127.3156.7-63.5175.6000106.7V272 A276V272-I274 PolarHBondContact O-N 3.37Å; I274-A276 VanDerWaalsContact C-N 3.31Å; I274-A276 PolarHBondContact O-N 3.11Å
275Q56.8Low60.4Low185 Ų185145.5 Ų145.586%0.86474%0.737SS**  trans-72.383.7-170.9-166.4-1796600110.9V273 S277V273-Q275 PolarHBondContact O-N 3.14Å; Q275-S277 PolarHBondContact O-N 3.14Å
276A52.1Low58.3Low84 Ų84148.8 Ų148.869%0.69475%0.747SS**PPolyproline II helixtrans-54.4121.9-178.900000110.9I274 K278I274-A276 VanDerWaalsContact C-N 3.31Å; I274-A276 PolarHBondContact O-N 3.11Å; A276-K278 PolarHBondContact O-N 3.41Å
277S49.9Very low56.2Low125 Ų125150 Ų15087%0.87476%0.76SS**PPolyproline II helixtrans-57.7119.3-171.3-171.40000111.4Q275Q275-S277 PolarHBondContact O-N 3.14Å
278K55.7Low53.9Low196 Ų196153.2 Ų153.285%0.85277%0.771SS**PPolyproline II helixtrans-66.4137.8-174.2-72.9-177.3178.7175.80110.8A276 R280A276-K278 PolarHBondContact O-N 3.41Å; K278-R280 PolarHBondContact O-N 2.99Å
279S51.8Low51.6Low97 Ų97150.9 Ų150.968%0.67878%0.776SS**PPolyproline II helixtrans-48.2134.1-175.6-177.10000113.4R281S279-R281 PolarHBondContact O-N 3.18Å
280R52.2Low49.9Very low251 Ų251152.3 Ų152.395%0.94778%0.782SS**THydrogen-bonded Turntrans-6311.9-170.8-151-176.1-170.8-152.24.7115.8K278K278-R280 PolarHBondContact O-N 2.99Å
281R54.2Low48Very low219 Ų219152.6 Ų152.683%0.82679%0.79SS**THydrogen-bonded Turntrans-94.5-6.7-169.1-75.3-174.8172.6-107.70.6116S279S279-R281 PolarHBondContact O-N 3.18Å
282H49.8Very low46.2Very low190 Ų190153.8 Ų153.888%0.8880%0.796SS**  trans-128.356.6177.3-71.9-77.3000112.7
283R47.1Very low44.5Very low230 Ų230154.8 Ų154.887%0.86880%0.798SS**  trans-100.9114.6157.2-174.3170.7-176.7161.70.3107.6
284Q45Very low43.7Very low188 Ų188154.8 Ų154.888%0.87980%0.803SS**PPolyproline II helixtrans-63.5134.1168.3-74.1168.7-37.100108.6
285V37.4Very low42.5Very low135 Ų135152.5 Ų152.582%0.81881%0.805SS**PPolyproline II helixtrans-82.8121172.8175.70000107.1
286K40.1Very low41.4Very low181 Ų181149.6 Ų149.679%0.78781%0.806SS**PPolyproline II helixtrans-72.7131.6161.2-85.2-165.6166.3-160.20108.3
287L37.3Very low40.3Very low165 Ų165149.1 Ų149.186%0.86481%0.809SS**PPolyproline II helixtrans-80.1133.7156.1-81.6157.5000107.5
288D32.1Very low39.5Very low142 Ų142153 Ų15376%0.75981%0.813SS**  trans-143.8157.2159.9-78.5-58.4000106.6
289S33.3Very low38.2Very low117 Ų117147.5 Ų147.582%0.81881%0.812SS**  trans-102.7169.2-154.153.70000116.7
290S36.8Very low37.3Very low96 Ų96152.2 Ų152.267%0.67182%0.823SS**  trans-7.8136.6149.8-141.80000116.1
291D31.1Very low36.4Very low149 Ų149147 Ų14780%0.79782%0.819SS**  -159-17368.9-85.1-35.8000114.7
292C32Very low35.4Very low112 Ų112146 Ų14676%0.75782%0.821SS**  trans-68.2174.5179.1-61.50000113.5
293D29.8Very low34.5Very low138 Ų138141.2 Ų141.274%0.73881%0.814SS**  cis-158.3172.327.1-140.9-48.1000114.7
294S37.5Very low33.7Very low105 Ų105136 Ų13673%0.73481%0.808SS**  trans6.8144154.3-65.80000120.9
295A30.7Very low33.1Very low97 Ų97138.3 Ų138.380%0.80281%0.809SS**  cis-168.6-165.7-8.900000107
296S34.7Very low32.8Very low125 Ų125141.2 Ų141.287%0.87481%0.81SS**  cis-158.6-173.72.5700000109.5
297G28.6Very low32.4Very low74 Ų74141.6 Ų141.676%0.76381%0.812SS**  trans153.4119.5168.500000114.7
298Q33Very low32.1Very low206 Ų206142.6 Ų142.696%0.96381%0.812SS**  trans-77.7155-169.7-64.3168.5-36.300114.9
299G28.5Very low32Very low81 Ų81145.1 Ų145.184%0.83582%0.817SS**  trans16566.5166.900000117.2
300Q32Very low32.1Very low195 Ų195149.8 Ų149.891%0.91182%0.822SS**  trans-89.4129.6175.1-70.5-170.94.900113.6
301V34.4Very low31.8Very low141 Ų141154.2 Ų154.286%0.85583%0.832SS**  trans-140.4117.3142.9-175.30000112
302K32.4Very low31.8Very low198 Ų198156.9 Ų156.986%0.86184%0.837SS**  trans1.8137.9157.4-60.6171.8-177.6173.90120.4
303A30.7Very low31.8Very low90 Ų90159.8 Ų159.874%0.74484%0.844SS**  trans-88.3167.3169.100000113.7
304T30.8Very low32.1Very low122 Ų122162.7 Ų162.775%0.74885%0.85SS**  179.1141.512225.30000114.8
305R30.9Very low32Very low236 Ų236163.9 Ų163.989%0.89186%0.855SS**  trans65.8160.6156.9-63.3162.5179.5-177.9-1.3114.8
306K31.4Very low31.9Very low195 Ų195164.1 Ų164.185%0.84886%0.857SS**  cis-124173.28.7-125.4176.2-172.8-178.50111.3
307K31.9Very low31.6Very low190 Ų190162 Ų16283%0.82686%0.855SS**  trans-132.4120.8-175.8-174-178.8-169.2173.10109
308E30.9Very low31.7Very low185 Ų185169.9 Ų169.986%0.86486%0.862SS**  trans-125.9140.9175-92.2177-164.100111.6
309K31.1Very low31.6Very low196 Ų196169 Ų16985%0.85286%0.855SS**  trans-106.2135.4175.6-64.1177.5178.8176.50108
310K34.9Very low31.6Very low215 Ų215173.2 Ų173.294%0.93585%0.854SS**  trans-91.3126.6162.2-84.1-174.1171.6179.70110.1
311E30.3Very low31.4Very low189 Ų189169.4 Ų169.488%0.88385%0.849SS**  trans-75.7166.2174.9-81.1-174.7119.400112.8
312K31Very low31.1Very low204 Ų204171.5 Ų171.589%0.88785%0.847SS**  trans-110.5126.9175-67.2179.2178.4177.90109.4
313L31.3Very low30.9Very low174 Ų174172.9 Ų172.991%0.91185%0.847SS**  trans-106.6136.6168.4-71.1171.2000110.7
314K37.8Very low30.9Very low198 Ų198175.4 Ų175.486%0.86185%0.848SS**  trans-104.5153.7161.6-62.2178.1-179.8177.10108.1
315P34.9Very low30.9Very low130 Ų130179.4 Ų179.484%0.84486%0.855SS**  trans-110.1156.7146.735-28.1000111.1
316A29Very low30.7Very low103 Ų103171.5 Ų171.585%0.85185%0.847SS**  trans-143.5134.6177.400000112.6
317G28.1Very low30.5Very low79 Ų79169.2 Ų169.281%0.81484%0.844SS**  trans58.8105.814200000121.3
318R29.6Very low30.5Very low241 Ų241166.8 Ų166.891%0.90985%0.845SS**  trans-154.2150.9143.2-89.1-174.1-177-172.30.3106.9
319K31Very low30.5Very low188 Ų188166.1 Ų166.182%0.81784%0.842SS**  cis-176.9123.4-23-126.4-166.2-179.6-169.80104.1
320M28.9Very low30.4Very low168 Ų168163.9 Ų163.983%0.82884%0.839SS**  trans36.1129.5139.7-141.4166.8-167.800121.4
321S28.8Very low30.2Very low115 Ų115160.8 Ų160.880%0.80483%0.831SS**  trans-131170.5152.866.90000110.7
322F27.9Very low30.2Very low185 Ų185160.6 Ų160.681%0.81183%0.83SS**  trans-110.6-179.2-158.6-83.4-98.3000114.6
323R28.3Very low30.3Very low227 Ų227159.4 Ų159.486%0.85783%0.825SS**  trans90.4135.8156.2-138.8169.2-172.1-167.63.5114.2
324N30.1Very low30.3Very low143 Ų143160.1 Ų160.177%0.76582%0.824SS**  cis-141163.8-1.8-137.711.8000111.6
325K30.2Very low30Very low206 Ų206158.2 Ų158.290%0.89682%0.823SS**  trans-114.1134.5171.9-164179.6-174.6-176.10108.7
326G26.7Very low30Very low71 Ų71161 Ų16173%0.73282%0.822SS**  trans-159.5135.6-176.900000113.5
327N28.7Very low30.2Very low147 Ų147162.4 Ų162.479%0.78682%0.822SS**  trans29.7121.3172.6-71.215.1000120.9
328V31.2Very low30.7Very low138 Ų138166.5 Ų166.584%0.83682%0.824SS**  trans-122.3122.7140.7177.30000106.9
329Q30.7Very low31Very low172 Ų172160.1 Ų160.180%0.80482%0.817SS**  trans-134.4135.6164.2-86.2-174.7-32.900107.9
330N29.2Very low31.3Very low149 Ų149159.4 Ų159.480%0.79782%0.821SS**  trans-78.9136.1177.3-67.9-31.4000110
331I30.5Very low31.7Very low149 Ų149156.5 Ų156.576%0.76482%0.817SS**  trans-131.3116.1159.1-64.1-178.1000107.2K333I331-K333 HydrophobicContact CG2-CG 4.3Å
332H29.9Very low32.1Very low185 Ų185159.2 Ų159.286%0.85682%0.819SS**  trans-70.6132.1161.9-87.1-113.8000108.8
333K32.7Very low32.6Very low180 Ų180155.6 Ų155.678%0.78382%0.815SS**  trans-139131.5148.5-73.8-160.5173.7-170.10109.4I331I331-K333 HydrophobicContact CG2-CG 4.3Å
334E32.9Very low32.7Very low189 Ų189151.2 Ų151.288%0.88381%0.813SS**  trans-75.4151159.6-54.8173120.900108.2
335D31Very low33Very low158 Ų158151.8 Ų151.885%0.84581%0.814SS**  trans-141.3142.7163.2-99.9-50.2000110.4
336K34.7Very low33Very low189 Ų189147.7 Ų147.782%0.82281%0.807SS**PPolyproline II helixtrans-83.5152-172.3-68.2170.6-179.3173.20111L338K336-L338 PolarHBondContact O-N 3.1Å
337P34.3Very low33.4Very low132 Ų132153.3 Ų153.386%0.85781%0.814SS**PPolyproline II helixtrans-65.8125.4176.727.3-34.1000111.2S339P337-S339 PolarHBondContact O-N 3.3Å
338L37.7Very low33.6Very low164 Ų164155.3 Ų155.386%0.85982%0.818SS**PPolyproline II helixtrans-74117.5175.3-71.6165.8000110.6K336 L340K336-L338 PolarHBondContact O-N 3.1Å; L338-L340 PolarHBondContact O-N 3.19Å
339S36.3Very low33.5Very low108 Ų108157.1 Ų157.176%0.75582%0.818SS**  trans-72.4111168.554.40000110.3P337 S341P337-S339 PolarHBondContact O-N 3.3Å; S339-S341 PolarHBondContact O-N 2.79Å; S339-S341 VanDerWaalsContact O-N 3.17Å
340L37.5Very low33.5Very low173 Ų173155.7 Ų155.791%0.90682%0.816SS**  trans-83.585.6176-68.6172.2000110.9L338L338-L340 PolarHBondContact O-N 3.19Å
341S37Very low33.6Very low107 Ų107157.8 Ų157.875%0.74882%0.82SS**PPolyproline II helixtrans-76.5154.2162.246.60000111.1S339S339-S341 PolarHBondContact O-N 2.79Å; S339-S341 VanDerWaalsContact O-N 3.17Å
342M37.3Very low33.6Very low172 Ų172156.2 Ų156.285%0.84782%0.823SS**PPolyproline II helixtrans-79.4136.4-176.4-170.3173.171.900111.1
343P37.1Very low33.5Very low109 Ų109155.1 Ų155.171%0.70882%0.823SS**PPolyproline II helixtrans-69.4134.5173.628.8-33.9000110.7
344V32.1Very low33.5Very low135 Ų135151.8 Ų151.882%0.81882%0.822SS**PPolyproline II helixtrans-74.8138170178.90000108.8
345I36.3Very low33.2Very low154 Ų154146.4 Ų146.479%0.7982%0.817SS**PPolyproline II helixtrans-89.8122.7172.5-60.6173.8000107.5
346T29.8Very low33.2Very low121 Ų121145.5 Ų145.574%0.74282%0.818SS**PPolyproline II helixtrans-84.7135.1163.345.90000109.2
347E34.9Very low32.9Very low188 Ų188145.1 Ų145.188%0.87982%0.819SS**PPolyproline II helixtrans-83128.4174.5-61.1179.6151.900109.4
348E31.6Very low32.7Very low189 Ų189148.9 Ų148.988%0.88382%0.822SS**  trans-130.7143.5162.9-73-171.6162.800107.9
349E30.8Very low32.3Very low176 Ų176147.6 Ų147.682%0.82282%0.821SS**  trans-92.9159.1-157.1-61.1-172.6109.900115
350N30.4Very low32.1Very low143 Ų143147 Ų14777%0.76582%0.823SS**  trans15.6110.3148.6-60.1-53.2000119
351E30.1Very low31.8Very low192 Ų192144.6 Ų144.690%0.89782%0.82SS**  -127.1133.7128.5-83.3-153.7143.100110.4
352S30.5Very low31.7Very low116 Ų116149.3 Ų149.381%0.81183%0.827SS**  trans-106.9125.9176.752.30000109.7
353L28.7Very low31.6Very low163 Ų163151.1 Ų151.185%0.85383%0.831SS**  trans-138.2125.5172-105.4167.5000111.2
354S31.5Very low31.5Very low110 Ų110155.8 Ų155.877%0.76984%0.84SS**  trans-79.3161.3-179.448.40000112
355G28.5Very low31.6Very low76 Ų76161 Ų16178%0.78485%0.845SS**  trans-69162.7-166.300000116.2
356T29.6Very low32Very low139 Ų139163.5 Ų163.585%0.85385%0.85SS**  trans-144.7170.4162.6-29.20000108.8
357E28.3Very low32.8Very low181 Ų181170.4 Ų170.485%0.84687%0.873SS**  trans-88.3168.7-148.6-61.7169.710400117.2
358F30.4Very low32.7Very low211 Ų211169.6 Ų169.693%0.92587%0.873SS**  trans-61.6129.3168.3-89.3-105.9000112.4
359T30.2Very low32.8Very low136 Ų136168.5 Ų168.583%0.83487%0.872SS**  trans-134.5143.7148.454.90000111
360A31.9Very low32.9Very low97 Ų97168.1 Ų168.180%0.80288%0.875SS**  trans-106.5112.9-170.200000113K362A360-K362 PolarHBondContact O-N 3.46Å
361S30.2Very low33Very low122 Ų122169.6 Ų169.685%0.85388%0.882SS**  trans-76.5111.5-178.4-69.80000113.7K363S361-K363 PolarHBondContact O-N 3.17Å
362K35.1Very low33.2Very low205 Ų205168.2 Ų168.289%0.89188%0.881SS**PPolyproline II helixtrans-68.4124.9176.4-67.6175.2179.5172.30111.6A360 K364A360-K362 PolarHBondContact O-N 3.46Å; K362-K364 PolarHBondContact O-N 2.78Å
363K36.1Very low33.4Very low211 Ų211171.7 Ų171.792%0.91789%0.885SS**PPolyproline II helixtrans-69.8117.4170.5-74.3-177.6175.7178.30111S361S361-K363 PolarHBondContact O-N 3.17Å
364K35.5Very low33.7Very low207 Ų207172.3 Ų172.390%0.989%0.888SS**PPolyproline II helixtrans-71.7135.3161.6-77-175.4174.6179.90109.8K362K362-K364 PolarHBondContact O-N 2.78Å
365R33.6Very low33.9Very low245 Ų245177.1 Ų177.193%0.92590%0.897SS**PPolyproline II helixtrans-71.7146.4159.2-76.4176.3166.6157.7-5.9108.6
366K43.9Very low34.3Very low205 Ų205185.5 Ų185.589%0.89191%0.906SS**PPolyproline II helixtrans-91151.5157.1-73-170.5173.4-172.90108.6
367H47.2Very low34.7Very low267 Ų267189.7 Ų189.7100%1.23691%0.911SS**  trans-740159.3-76.1-95.3000109.7

Retrieved 367 of 367 residues in 604.5 ms (Link to these results)

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