G4VNR3_SCHMA Loading...

tRNA selenocysteine-associated protein 1

AlphaFold DB , UniProt , Accession G4VNR3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 348 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
1M35.2Very low76.5Confident235 Ų23562.5 Ų62.5100%1.15832%0.318SS*.  0120.10-76173.9-172.900108.4N3M1-N3 PolarHBondContact O-N 3.43Å
2Q48.4Very low77.8Confident57 Ų5763.4 Ų63.427%0.26632%0.324SS..  trans-68.9129.4171.1-79.6175.85.300109.3F4Q2-F4 HydrophobicContact CB-CD2 4.19Å; Q2-F4 HydrophobicContact CB-CE2 3.96Å; Q2-F4 HydrophobicContact CB-CZ 4.33Å; Q2-F4 PolarHBondContact O-N 3.11Å
3N51.4Low79.1Confident163 Ų16359.4 Ų59.487%0.87230%0.304SS*.  trans-7377.9168.3-73.2-23.6000108.3M1 S5M1-N3 PolarHBondContact O-N 3.43Å; N3-S5 PolarHBondContact O-N 3.31Å
4F65.6Low80.2Confident36 Ų3659.2 Ų59.216%0.15830%0.301CS..  trans-56.1129.6164.1-69.9-76.6000107.4Q2 S58 R62 H85Q2-F4 HydrophobicContact CB-CD2 4.19Å; Q2-F4 HydrophobicContact CB-CE2 3.96Å; Q2-F4 HydrophobicContact CB-CZ 4.33Å; Q2-F4 PolarHBondContact O-N 3.11Å; F4-S58 WeakPolarHBondContact O-CB 3.43Å; F4-R62 VanDerWaalsContact CD2-NE 3.29Å; F4-R62 VanDerWaalsContact CE2-NE 3.31Å; F4-H85 AromaticContact CD1-CE1 3.58Å; F4-H85 AromaticContact CE1-CE1 3.68Å
5S81.8Confident81Confident45 Ų4561.8 Ų61.832%0.31532%0.324SS..  trans-62.9141.8172.5-173.80000108.8N3 T7N3-S5 PolarHBondContact O-N 3.31Å; S5-T7 PolarHBondContact O-N 3.07Å; S5-T7 WeakPolarHBondContact OG-CB 3.34Å; S5-T7 PolarHBondContact OG-N 2.94Å; S5-T7 PolarHBondContact OG-OG1 3.4Å
6H91.1Very high81.7Confident80 Ų8065.4 Ų65.437%0.3733%0.333SS..SBendtrans-74.31.9166.163-83.2000111.4E54 F55H6-E54 VanDerWaalsContact CD2-CG 3.5Å; H6-E54 WeakPolarHBondContact CD2-CG 3.04Å; H6-E54 IonicContact CD2-OE1 3.11Å; H6-E54 IonicContact NE2-OE1 3.97Å; H6-F55 PolarHBondContact O-N 2.63Å
7T93Very high82.4Confident30 Ų3061.6 Ų61.618%0.18431%0.313CS..EExtended strand (participates in β ladder)trans-108.6137.3174.1-40.70000111.2S5 F52 I53 A86S5-T7 PolarHBondContact O-N 3.07Å; S5-T7 WeakPolarHBondContact OG-CB 3.34Å; S5-T7 PolarHBondContact OG-N 2.94Å; S5-T7 PolarHBondContact OG-OG1 3.4Å; T7-F52 HydrophobicContact CG2-CB 3.86Å; T7-F52 HydrophobicContact CG2-CD1 4.25Å; T7-I53 CarbonylContact C-O 3.47Å; T7-I53 VanDerWaalsContact CA-O 3.26Å; T7-I53 WeakPolarHBondContact CA-O 3.49Å; T7-I53 WeakPolarHBondContact CG2-O 3.49Å; T7-A86 HydrophobicContact CG2-CB 4.09Å; T7-A86 WeakPolarHBondContact O-CB 3.46Å; T7-A86 PolarHBondContact O-N 3.12Å
8I93.3Very high83Confident3 Ų362.2 Ų62.22%0.01532%0.317CS..EExtended strand (participates in β ladder)trans-113.7151.1171.668174.8000110.5F26 F52 I53 F55 A61 M65 L83I8-F26 HydrophobicContact CD1-CE1 4Å; I8-F26 HydrophobicContact CD1-CZ 4.04Å; I8-F52 WeakPolarHBondContact O-CA 3.38Å; I8-I53 HydrophobicContact CD1-CB 4.22Å; I8-I53 HydrophobicContact CD1-CD1 4.21Å; I8-I53 HydrophobicContact CG1-CB 3.68Å; I8-I53 HydrophobicContact CG1-CD1 4.31Å; I8-I53 HydrophobicContact CG1-CG1 4.44Å; I8-I53 HydrophobicContact CG1-CG2 4.36Å; I8-I53 PolarHBondContact N-O 3.37Å; I8-I53 PolarHBondContact O-N 3.08Å; I8-F55 HydrophobicContact CD1-CE2 3.52Å; I8-F55 HydrophobicContact CD1-CZ 4.07Å; I8-F55 HydrophobicContact CG1-CD2 4.49Å; I8-F55 HydrophobicContact CG1-CE2 3.82Å; I8-F55 HydrophobicContact CG2-CE2 4.37Å; I8-A61 HydrophobicContact CG2-CB 3.91Å; I8-M65 HydrophobicContact CG2-CB 4.3Å; I8-L83 HydrophobicContact CD1-CD1 4.23Å; I8-L83 HydrophobicContact CD1-CD2 4.13Å
9W93.8Very high83.7Confident34 Ų3461.8 Ų61.813%0.12931%0.314CS..EExtended strand (participates in β ladder)trans-91135.4169.517691.6000109.4G11 Y50 F52 K82 L83 N84 Y88W9-G11 VanDerWaalsContact CH2-CA 3.4Å; W9-Y50 AromaticContact CD1-CD2 3.79Å; W9-Y50 AromaticContact NE1-CD2 3.27Å; W9-Y50 VanDerWaalsContact NE1-CD2 3.27Å; W9-Y50 AromaticContact NE1-CG 3.65Å; W9-F52 HydrophobicContact CB-CD1 4.5Å; W9-F52 HydrophobicContact CB-CE1 4.35Å; W9-F52 AromaticContact CD1-CE1 3.94Å; W9-K82 HydrophobicContact CH2-CD 4.27Å; W9-K82 HydrophobicContact CZ3-CD 4.3Å; W9-K82 HydrophobicContact CZ3-CG 4.1Å; W9-L83 WeakPolarHBondContact O-CA 3.31Å; W9-N84 HydrophobicContact CE3-CB 3.96Å; W9-N84 VanDerWaalsContact CZ3-ND2 3.31Å; W9-N84 WeakPolarHBondContact CZ3-ND2 3.41Å; W9-N84 PolarHBondContact N-O 3.31Å; W9-N84 PolarHBondContact O-N 3.12Å; W9-Y88 HydrophobicContact CD2-CD1 4.28Å; W9-Y88 HydrophobicContact CE3-CD1 4.26Å; W9-Y88 HydrophobicContact CH2-CD1 4.41Å; W9-Y88 HydrophobicContact CH2-CE1 4.28Å; W9-Y88 HydrophobicContact CZ2-CD1 4.46Å; W9-Y88 HydrophobicContact CZ3-CD1 4.33Å; W9-Y88 HydrophobicContact CZ3-CE1 4.37Å
10M94.6Very high84.3Confident2 Ų264.1 Ų64.11%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-122.5125.6171.8-177.7174-176.700109.4L13 I22 F26 Y50 G51 I53 I73 F81 K82 L83M10-L13 HydrophobicContact CE-CD2 3.63Å; M10-L13 HydrophobicContact CG-CD2 3.83Å; M10-L13 HydrophobicContact CG-CG 4.46Å; M10-L13 HydrophobicContact SD-CD2 3.8Å; M10-I22 HydrophobicContact SD-CG2 4.07Å; M10-F26 HydrophobicContact SD-CE2 3.79Å; M10-F26 HydrophobicContact SD-CZ 4.32Å; M10-Y50 CarbonylContact O-C 3.58Å; M10-Y50 WeakPolarHBondContact O-CA 3.33Å; M10-Y50 WeakPolarHBondContact O-CB 3.34Å; M10-G51 PolarHBondContact N-O 3.45Å; M10-G51 PolarHBondContact O-N 2.98Å; M10-I53 HydrophobicContact CB-CD1 3.8Å; M10-I53 HydrophobicContact CG-CD1 4.4Å; M10-I53 HydrophobicContact SD-CD1 3.74Å; M10-I73 HydrophobicContact CE-CD1 3.57Å; M10-I73 HydrophobicContact CE-CG1 4.35Å; M10-F81 HydrophobicContact CE-CD1 3.65Å; M10-F81 HydrophobicContact CE-CE1 3.99Å; M10-F81 HydrophobicContact SD-CD1 4.39Å; M10-K82 WeakPolarHBondContact CA-O 3.34Å; M10-L83 HydrophobicContact CB-CD2 3.79Å; M10-L83 HydrophobicContact CG-CD2 3.71Å; M10-L83 HydrophobicContact SD-CD2 4.15Å
11G93.2Very high84.8Confident2 Ų262.9 Ų62.92%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-118.7-174.9177.500000113.7W9 L13 G49 K82W9-G11 VanDerWaalsContact CH2-CA 3.4Å; G11-L13 PolarHBondContact O-N 3.45Å; G11-G49 CarbonylContact C-O 3.46Å; G11-K82 PolarHBondContact N-O 3.28Å
12D92.7Very high87.7Confident74 Ų7451.8 Ų51.840%0.39626%0.263SS..SBendtrans57.635.3-176.7-162.540.4000112.3G49 R79 K82D12-G49 PolarHBondContact N-O 2.89Å; D12-R79 IonicContact OD1-CZ 2.86Å; D12-R79 IonicContact OD1-NH1 3.29Å; D12-R79 PolarHBondContact OD1-NH1 3.42Å; D12-R79 IonicContact OD2-CZ 3.21Å; D12-R79 IonicContact OD2-NH1 3.83Å; D12-R79 PolarHBondContact OD2-NH1 3.39Å; D12-K82 HydrophobicContact CB-CB 4.4Å; D12-K82 HydrophobicContact CB-CD 3.88Å
13L94.4Very high90Very high11 Ų1153.2 Ų53.26%0.05827%0.268CS..  trans-77.9135.5176.4-60.7178.9000110.4M10 G11 M17 I22 V38 G49M10-L13 HydrophobicContact CE-CD2 3.63Å; M10-L13 HydrophobicContact CG-CD2 3.83Å; M10-L13 HydrophobicContact CG-CG 4.46Å; M10-L13 HydrophobicContact SD-CD2 3.8Å; G11-L13 PolarHBondContact O-N 3.45Å; L13-M17 HydrophobicContact CD2-SD 4.19Å; L13-I22 HydrophobicContact CD1-CD1 3.8Å; L13-I22 HydrophobicContact CD2-CD1 4.01Å; L13-I22 HydrophobicContact CD2-CG1 4.38Å; L13-V38 HydrophobicContact CD1-CG1 4.4Å; L13-V38 HydrophobicContact CD1-CG2 4.43Å; L13-G49 PolarHBondContact N-O 3.25Å; L13-G49 WeakPolarHBondContact O-CA 3.42Å
14E93.9Very high92.1Very high57 Ų5752.2 Ų52.227%0.26625%0.252SS..  trans-79.3155.4171.1-78.7-68.1141.600111.8Y16 M17 R79E14-Y16 HydrophobicContact CB-CD1 3.53Å; E14-Y16 HydrophobicContact CB-CE1 3.29Å; E14-Y16 HydrophobicContact CB-CG 4.3Å; E14-Y16 HydrophobicContact CG-CD1 4.25Å; E14-Y16 HydrophobicContact CG-CE1 3.58Å; E14-Y16 PolarHBondContact O-N 3.08Å; E14-Y16 VanDerWaalsContact O-N 3.1Å; E14-M17 HydrophobicContact CB-CE 4.21Å; E14-M17 HydrophobicContact CB-CG 3.97Å; E14-M17 HydrophobicContact CB-SD 4.14Å; E14-M17 HydrophobicContact CG-CE 4.29Å; E14-M17 WeakPolarHBondContact O-CB 3.43Å; E14-M17 PolarHBondContact O-N 3.45Å; E14-R79 HydrophobicContact CG-CG 4.36Å; E14-R79 IonicContact OE1-CZ 3.83Å; E14-R79 IonicContact OE1-NE 2.99Å; E14-R79 PolarHBondContact OE1-NE 3.45Å; E14-R79 IonicContact OE1-NH2 2.56Å; E14-R79 PolarHBondContact OE1-NH2 3.24Å
15P92.1Very high93.6Very high98 Ų9850.6 Ų50.664%0.63625%0.246SC*.THydrogen-bonded Turntrans-58.4-25.1178.7-25.835.8000115.2T47P15-T47 WeakPolarHBondContact CA-OG1 3.41Å
16Y92.4Very high94.3Very high120 Ų12048.5 Ų48.547%0.47123%0.231SC..THydrogen-bonded Turntrans-82.5-13.6176.570.6-99.2000113.6E14 D18 F21 A76E14-Y16 HydrophobicContact CB-CD1 3.53Å; E14-Y16 HydrophobicContact CB-CE1 3.29Å; E14-Y16 HydrophobicContact CB-CG 4.3Å; E14-Y16 HydrophobicContact CG-CD1 4.25Å; E14-Y16 HydrophobicContact CG-CE1 3.58Å; E14-Y16 PolarHBondContact O-N 3.08Å; E14-Y16 VanDerWaalsContact O-N 3.1Å; Y16-D18 VanDerWaalsContact C-N 3.32Å; Y16-D18 PolarHBondContact O-N 3.33Å; Y16-F21 HydrophobicContact CE2-CE2 4.37Å; Y16-F21 HydrophobicContact CE2-CZ 4.35Å; Y16-A76 WeakPolarHBondContact OH-CB 3.39Å
17M93.9Very high94.5Very high1 Ų148.7 Ų48.71%0.00523%0.232CC..  trans-82.278.7-177.9-65.8-177.9177.700110.3L13 E14 F21 I73 A76 R79L13-M17 HydrophobicContact CD2-SD 4.19Å; E14-M17 HydrophobicContact CB-CE 4.21Å; E14-M17 HydrophobicContact CB-CG 3.97Å; E14-M17 HydrophobicContact CB-SD 4.14Å; E14-M17 HydrophobicContact CG-CE 4.29Å; E14-M17 WeakPolarHBondContact O-CB 3.43Å; E14-M17 PolarHBondContact O-N 3.45Å; M17-F21 HydrophobicContact CB-CD1 3.79Å; M17-F21 HydrophobicContact CB-CE1 4.26Å; M17-F21 HydrophobicContact CB-CG 4.5Å; M17-F21 HydrophobicContact CE-CE1 3.97Å; M17-F21 HydrophobicContact CE-CZ 4.34Å; M17-F21 HydrophobicContact CG-CD1 3.61Å; M17-F21 HydrophobicContact CG-CE1 3.6Å; M17-F21 HydrophobicContact CG-CG 4.42Å; M17-F21 HydrophobicContact CG-CZ 4.39Å; M17-F21 HydrophobicContact SD-CD1 4.39Å; M17-F21 HydrophobicContact SD-CE1 3.95Å; M17-I73 HydrophobicContact CE-CD1 4.35Å; M17-I73 HydrophobicContact SD-CD1 4.44Å; M17-A76 HydrophobicContact CE-CB 3.39Å; M17-R79 HydrophobicContact CE-CB 3.79Å; M17-R79 HydrophobicContact CE-CG 3.74Å
18D93.7Very high94.6Very high71 Ų7152.3 Ų52.338%0.3825%0.254SS..  trans-73.2175.3175.369.17.7000112.9Y16 M20 F21 I22Y16-D18 VanDerWaalsContact C-N 3.32Å; Y16-D18 PolarHBondContact O-N 3.33Å; D18-M20 PolarHBondContact O-N 2.97Å; D18-M20 PolarHBondContact OD1-N 3.14Å; D18-F21 PolarHBondContact O-N 3.4Å; D18-F21 WeakPolarHBondContact OD1-CB 3.43Å; D18-F21 PolarHBondContact OD1-N 2.86Å; D18-I22 WeakPolarHBondContact O-CG1 3.32Å; D18-I22 PolarHBondContact O-N 3.28Å
19E95.6Very high94.6Very high56 Ų5653.5 Ų53.526%0.26226%0.263SS..Hα-helixtrans-56.3-34.4179.9-64.876.7-173.200111.9K23 V36 V38 R40E19-K23 WeakPolarHBondContact O-CB 3.21Å; E19-K23 PolarHBondContact O-N 2.88Å; E19-V36 HydrophobicContact CB-CB 4.16Å; E19-V36 HydrophobicContact CB-CG1 4.2Å; E19-V36 HydrophobicContact CG-CB 4.4Å; E19-V36 HydrophobicContact CG-CG1 4.24Å; E19-V36 WeakPolarHBondContact CG-O 3.26Å; E19-V38 HydrophobicContact CG-CB 4.5Å; E19-V38 HydrophobicContact CG-CG2 4.02Å; E19-V38 WeakPolarHBondContact OE1-CB 3.45Å; E19-V38 PolarHBondContact OE1-N 2.84Å; E19-R40 IonicContact OE1-CZ 3.05Å; E19-R40 IonicContact OE1-NE 2.67Å; E19-R40 IonicContact OE1-NH2 3.29Å; E19-R40 PolarHBondContact OE1-NH2 3.4Å; E19-R40 IonicContact OE2-NH2 2.93Å; E19-R40 PolarHBondContact OE2-NH2 3.42Å
20M95.4Very high94.6Very high107 Ų10754.5 Ų54.553%0.52728%0.283SS..Hα-helixtrans-73.8-41.9-179.1-172.2176.4-7300111.8D18 K23 R24D18-M20 PolarHBondContact O-N 2.97Å; D18-M20 PolarHBondContact OD1-N 3.14Å; M20-K23 PolarHBondContact O-N 3Å; M20-R24 WeakPolarHBondContact O-CG 3.29Å; M20-R24 PolarHBondContact O-N 3.45Å; M20-R24 PolarHBondContact SD-NH2 3.33Å
21F96.2Very high94.6Very high38 Ų3855.5 Ų55.517%0.16729%0.288CS..Hα-helixtrans-58.8-48.7173178.1-89.2000110.8Y16 M17 D18 K23 R24 A25 I73 A76Y16-F21 HydrophobicContact CE2-CE2 4.37Å; Y16-F21 HydrophobicContact CE2-CZ 4.35Å; M17-F21 HydrophobicContact CB-CD1 3.79Å; M17-F21 HydrophobicContact CB-CE1 4.26Å; M17-F21 HydrophobicContact CB-CG 4.5Å; M17-F21 HydrophobicContact CE-CE1 3.97Å; M17-F21 HydrophobicContact CE-CZ 4.34Å; M17-F21 HydrophobicContact CG-CD1 3.61Å; M17-F21 HydrophobicContact CG-CE1 3.6Å; M17-F21 HydrophobicContact CG-CG 4.42Å; M17-F21 HydrophobicContact CG-CZ 4.39Å; M17-F21 HydrophobicContact SD-CD1 4.39Å; M17-F21 HydrophobicContact SD-CE1 3.95Å; D18-F21 PolarHBondContact O-N 3.4Å; D18-F21 WeakPolarHBondContact OD1-CB 3.43Å; D18-F21 PolarHBondContact OD1-N 2.86Å; F21-K23 PolarHBondContact O-N 3.14Å; F21-R24 PolarHBondContact O-N 3.07Å; F21-A25 WeakPolarHBondContact O-CB 3.44Å; F21-A25 PolarHBondContact O-N 2.98Å; F21-I73 HydrophobicContact CE1-CG2 3.78Å; F21-I73 HydrophobicContact CZ-CG2 4.07Å; F21-A76 HydrophobicContact CZ-CB 3.88Å
22I96Very high94.7Very high3 Ų361.7 Ų61.72%0.01532%0.321CS..Hα-helixtrans-62-46.9179.4-64.4166.5000110.3M10 L13 D18 R24 A25 F26 V36 V38 I53M10-I22 HydrophobicContact SD-CG2 4.07Å; L13-I22 HydrophobicContact CD1-CD1 3.8Å; L13-I22 HydrophobicContact CD2-CD1 4.01Å; L13-I22 HydrophobicContact CD2-CG1 4.38Å; D18-I22 WeakPolarHBondContact O-CG1 3.32Å; D18-I22 PolarHBondContact O-N 3.28Å; I22-R24 VanDerWaalsContact C-N 3.35Å; I22-R24 PolarHBondContact O-N 3.08Å; I22-A25 PolarHBondContact O-N 2.76Å; I22-A25 VanDerWaalsContact O-N 3.16Å; I22-F26 HydrophobicContact CG2-CD2 3.98Å; I22-F26 HydrophobicContact CG2-CE2 3.94Å; I22-F26 WeakPolarHBondContact O-CD2 3.48Å; I22-F26 PolarHBondContact O-N 2.71Å; I22-F26 VanDerWaalsContact O-N 3.12Å; I22-V36 HydrophobicContact CB-CG1 4.04Å; I22-V36 HydrophobicContact CD1-CG1 4.04Å; I22-V36 HydrophobicContact CG2-CG1 3.86Å; I22-V36 HydrophobicContact CG2-CG2 4.17Å; I22-V38 HydrophobicContact CD1-CG2 3.56Å; I22-I53 HydrophobicContact CG2-CD1 3.82Å; I22-I53 HydrophobicContact CG2-CG1 4.23Å
23K96Very high94.8Very high86 Ų8659 Ų5937%0.37431%0.306SS..Hα-helixtrans-56.2-48.4178-169.6172.9-173.8-79.10111.7E19 M20 F21 A25 F26 E27 V36E19-K23 WeakPolarHBondContact O-CB 3.21Å; E19-K23 PolarHBondContact O-N 2.88Å; M20-K23 PolarHBondContact O-N 3Å; F21-K23 PolarHBondContact O-N 3.14Å; K23-A25 PolarHBondContact O-N 3.24Å; K23-F26 PolarHBondContact O-N 3.32Å; K23-E27 IonicContact NZ-OE1 3.87Å; K23-E27 PolarHBondContact NZ-OE1 3.48Å; K23-E27 VanDerWaalsContact O-CG 3.32Å; K23-E27 WeakPolarHBondContact O-CG 3.3Å; K23-E27 PolarHBondContact O-N 3.15Å; K23-V36 HydrophobicContact CB-CG2 4.33Å
24R96Very high94.8Very high142 Ų14262.6 Ų62.654%0.53633%0.328SS..Hα-helixtrans-62.6-39.2176.7-72.2-179.4-171.1138.7-1.9113M20 F21 I22 F26 E27 T28M20-R24 WeakPolarHBondContact O-CG 3.29Å; M20-R24 PolarHBondContact O-N 3.45Å; M20-R24 PolarHBondContact SD-NH2 3.33Å; F21-R24 PolarHBondContact O-N 3.07Å; I22-R24 VanDerWaalsContact C-N 3.35Å; I22-R24 PolarHBondContact O-N 3.08Å; R24-F26 VanDerWaalsContact C-N 3.33Å; R24-F26 PolarHBondContact O-N 3.38Å; R24-E27 PolarHBondContact O-N 2.93Å; R24-T28 WeakPolarHBondContact O-CB 3.35Å; R24-T28 PolarHBondContact O-N 3.24Å; R24-T28 PolarHBondContact O-OG1 3.11Å
25A96.2Very high94.9Very high3 Ų362.1 Ų62.13%0.02533%0.331CS..Hα-helixtrans-63.3-39.8-179.700000112.1F21 I22 K23 S29 I73 F81F21-A25 WeakPolarHBondContact O-CB 3.44Å; F21-A25 PolarHBondContact O-N 2.98Å; I22-A25 PolarHBondContact O-N 2.76Å; I22-A25 VanDerWaalsContact O-N 3.16Å; K23-A25 PolarHBondContact O-N 3.24Å; A25-S29 PolarHBondContact O-N 3.34Å; A25-S29 PolarHBondContact O-OG 3.44Å; A25-I73 HydrophobicContact CB-CG2 3.83Å; A25-F81 HydrophobicContact CB-CZ 4.24Å
26F95.8Very high95.1Very high0 Ų058.7 Ų58.70%031%0.308CS..Hα-helixtrans-73.5-40.7174.3-84.9-101.4000112.6I8 M10 I22 K23 R24 T28 S29 G30 E31 I33 I53 F55 L68 F81 L83I8-F26 HydrophobicContact CD1-CE1 4Å; I8-F26 HydrophobicContact CD1-CZ 4.04Å; M10-F26 HydrophobicContact SD-CE2 3.79Å; M10-F26 HydrophobicContact SD-CZ 4.32Å; I22-F26 HydrophobicContact CG2-CD2 3.98Å; I22-F26 HydrophobicContact CG2-CE2 3.94Å; I22-F26 WeakPolarHBondContact O-CD2 3.48Å; I22-F26 PolarHBondContact O-N 2.71Å; I22-F26 VanDerWaalsContact O-N 3.12Å; K23-F26 PolarHBondContact O-N 3.32Å; R24-F26 VanDerWaalsContact C-N 3.33Å; R24-F26 PolarHBondContact O-N 3.38Å; F26-T28 VanDerWaalsContact C-N 3.32Å; F26-T28 PolarHBondContact O-N 3.18Å; F26-S29 CarbonylContact O-C 3.54Å; F26-S29 WeakPolarHBondContact O-CA 3.41Å; F26-S29 WeakPolarHBondContact O-CB 3.19Å; F26-S29 PolarHBondContact O-N 2.96Å; F26-G30 PolarHBondContact O-N 2.96Å; F26-G30 VanDerWaalsContact O-N 3.15Å; F26-E31 CarbonylContact C-O 3.59Å; F26-E31 HydrophobicContact CB-CB 4.3Å; F26-E31 HydrophobicContact CD1-CB 4.05Å; F26-E31 HydrophobicContact CD1-CG 4.4Å; F26-E31 PolarHBondContact O-N 3.34Å; F26-I33 HydrophobicContact CB-CD1 3.23Å; F26-I33 HydrophobicContact CB-CG1 3.97Å; F26-I33 HydrophobicContact CD1-CD1 3.85Å; F26-I33 HydrophobicContact CD1-CG1 4.32Å; F26-I33 HydrophobicContact CD2-CD1 3.69Å; F26-I33 HydrophobicContact CE2-CD1 4.46Å; F26-I33 HydrophobicContact CG-CD1 3.33Å; F26-I33 HydrophobicContact CG-CG1 4.2Å; F26-I53 HydrophobicContact CD2-CD1 4.18Å; F26-I53 HydrophobicContact CE1-CD1 4.26Å; F26-I53 HydrophobicContact CE2-CD1 3.26Å; F26-I53 HydrophobicContact CZ-CD1 3.31Å; F26-F55 HydrophobicContact CD1-CZ 4.03Å; F26-F55 AromaticContact CE1-CZ 3.94Å; F26-F55 HydrophobicContact CE1-CZ 3.94Å; F26-L68 HydrophobicContact CD1-CD1 3.72Å; F26-L68 HydrophobicContact CE1-CD1 3.79Å; F26-F81 AromaticContact CD2-CE1 3.81Å; F26-F81 HydrophobicContact CD2-CE1 3.81Å; F26-F81 HydrophobicContact CD2-CZ 4.48Å; F26-F81 AromaticContact CE2-CD1 3.97Å; F26-F81 HydrophobicContact CE2-CD1 3.97Å; F26-F81 AromaticContact CE2-CE1 3.47Å; F26-F81 HydrophobicContact CE2-CE1 3.47Å; F26-F81 VanDerWaalsContact CE2-CE1 3.47Å; F26-F81 HydrophobicContact CG-CE1 4.49Å; F26-F81 HydrophobicContact CZ-CD1 4.07Å; F26-F81 AromaticContact CZ-CE1 3.92Å; F26-F81 HydrophobicContact CZ-CE1 3.92Å; F26-L83 HydrophobicContact CE1-CD1 4.3Å; F26-L83 HydrophobicContact CZ-CD1 4.12Å; F26-L83 HydrophobicContact CZ-CD2 3.9Å
27E95.6Very high95.2Very high85 Ų8559.3 Ų59.340%0.39731%0.314SS..Hα-helixtrans-59-43.4174.1-75170.7176.600111.4K23 R24 S29 G30K23-E27 IonicContact NZ-OE1 3.87Å; K23-E27 PolarHBondContact NZ-OE1 3.48Å; K23-E27 VanDerWaalsContact O-CG 3.32Å; K23-E27 WeakPolarHBondContact O-CG 3.3Å; K23-E27 PolarHBondContact O-N 3.15Å; R24-E27 PolarHBondContact O-N 2.93Å; E27-S29 PolarHBondContact O-N 3.35Å; E27-G30 PolarHBondContact O-N 3.44Å
28T95.3Very high95.3Very high105 Ų10559.7 Ų59.764%0.64432%0.316SS*.Hα-helixtrans-62.7-27.4174.6-54.90000112R24 F26 G30 P74R24-T28 WeakPolarHBondContact O-CB 3.35Å; R24-T28 PolarHBondContact O-N 3.24Å; R24-T28 PolarHBondContact O-OG1 3.11Å; F26-T28 VanDerWaalsContact C-N 3.32Å; F26-T28 PolarHBondContact O-N 3.18Å; T28-G30 VanDerWaalsContact C-N 3.29Å; T28-P74 HydrophobicContact CG2-CB 3.82Å; T28-P74 HydrophobicContact CG2-CG 3.98Å
29S93.5Very high95.3Very high28 Ų2857.8 Ų57.820%0.19631%0.306CS..THydrogen-bonded Turntrans-872.3176.7-53.40000113.1A25 F26 E27 K67A25-S29 PolarHBondContact O-N 3.34Å; A25-S29 PolarHBondContact O-OG 3.44Å; F26-S29 CarbonylContact O-C 3.54Å; F26-S29 WeakPolarHBondContact O-CA 3.41Å; F26-S29 WeakPolarHBondContact O-CB 3.19Å; F26-S29 PolarHBondContact O-N 2.96Å; E27-S29 PolarHBondContact O-N 3.35Å; S29-K67 PolarHBondContact O-NZ 3.26Å
30G94.7Very high95.2Very high55 Ų5560.7 Ų60.757%0.56731%0.314SS*.THydrogen-bonded Turntrans81.918.8178.700000115.1F26 E27 T28F26-G30 PolarHBondContact O-N 2.96Å; F26-G30 VanDerWaalsContact O-N 3.15Å; E27-G30 PolarHBondContact O-N 3.44Å; T28-G30 VanDerWaalsContact C-N 3.29Å
31E94.5Very high95.1Very high24 Ų2458.7 Ų58.711%0.11231%0.306CS..  trans-107.7136.8-178.8-59-55.6151.300111.6F26 F55 A64 K67 L68F26-E31 CarbonylContact C-O 3.59Å; F26-E31 HydrophobicContact CB-CB 4.3Å; F26-E31 HydrophobicContact CD1-CB 4.05Å; F26-E31 HydrophobicContact CD1-CG 4.4Å; F26-E31 PolarHBondContact O-N 3.34Å; E31-F55 HydrophobicContact CB-CE1 4.2Å; E31-A64 HydrophobicContact CB-CB 4.49Å; E31-A64 HydrophobicContact CG-CB 3.85Å; E31-K67 IonicContact OE1-NZ 3.61Å; E31-K67 PolarHBondContact OE1-NZ 3.42Å; E31-L68 HydrophobicContact CG-CD1 3.7Å; E31-L68 HydrophobicContact CG-CG 4.46Å
32N94.1Very high94.9Very high132 Ų13267.3 Ų67.371%0.70634%0.343SS*.  trans-100.2113.8179.8-70-62.7000111.2
33I95Very high94.7Very high18 Ų1871.6 Ų71.69%0.09238%0.379CS..EExtended strand (participates in β ladder)trans-99.7140.1178.9-63.8171.1000110.4F26 S35 V36 I53 E54 F55F26-I33 HydrophobicContact CB-CD1 3.23Å; F26-I33 HydrophobicContact CB-CG1 3.97Å; F26-I33 HydrophobicContact CD1-CD1 3.85Å; F26-I33 HydrophobicContact CD1-CG1 4.32Å; F26-I33 HydrophobicContact CD2-CD1 3.69Å; F26-I33 HydrophobicContact CE2-CD1 4.46Å; F26-I33 HydrophobicContact CG-CD1 3.33Å; F26-I33 HydrophobicContact CG-CG1 4.2Å; I33-S35 WeakPolarHBondContact CG2-O 3.15Å; I33-V36 HydrophobicContact CD1-CG2 4.22Å; I33-V36 HydrophobicContact CG2-CG2 3.78Å; I33-I53 HydrophobicContact CB-CG2 4.28Å; I33-I53 HydrophobicContact CD1-CG2 3.45Å; I33-I53 VanDerWaalsContact CD1-CG2 3.45Å; I33-I53 HydrophobicContact CG1-CG2 3.61Å; I33-I53 HydrophobicContact CG2-CG2 3.65Å; I33-E54 WeakPolarHBondContact CG2-O 3.4Å; I33-F55 HydrophobicContact CG1-CE1 4.4Å; I33-F55 HydrophobicContact CG1-CZ 4.22Å
34V95.5Very high94.5Very high85 Ų8571.5 Ų71.552%0.51539%0.386SS..EExtended strand (participates in β ladder)trans-81.2-53.11711770000110.8E54 A56V34-E54 HydrophobicContact CB-CB 4.45Å; V34-E54 HydrophobicContact CB-CG 4.4Å; V34-E54 WeakPolarHBondContact CB-O 3.23Å; V34-E54 PolarHBondContact N-O 3.46Å; V34-A56 HydrophobicContact CG2-CB 4.08Å
35S94.8Very high94.2Very high47 Ų4767 Ų6733%0.32938%0.383SS..EExtended strand (participates in β ladder)trans-145.6152.5-178.586.60000112.5I33 E54I33-S35 WeakPolarHBondContact CG2-O 3.15Å; S35-E54 WeakPolarHBondContact CB-OE2 3.44Å; S35-E54 PolarHBondContact N-O 3Å; S35-E54 PolarHBondContact O-N 3.43Å; S35-E54 VanDerWaalsContact OG-CB 3.23Å; S35-E54 WeakPolarHBondContact OG-CB 3.26Å; S35-E54 PolarHBondContact OG-OE2 3.41Å
36V96.5Very high93.9Very high26 Ų2673.5 Ų73.516%0.15841%0.413CS..EExtended strand (participates in β ladder)trans-126.5133.6172.4-177.20000108.2E19 I22 K23 I33 V38 I53E19-V36 HydrophobicContact CB-CB 4.16Å; E19-V36 HydrophobicContact CB-CG1 4.2Å; E19-V36 HydrophobicContact CG-CB 4.4Å; E19-V36 HydrophobicContact CG-CG1 4.24Å; E19-V36 WeakPolarHBondContact CG-O 3.26Å; I22-V36 HydrophobicContact CB-CG1 4.04Å; I22-V36 HydrophobicContact CD1-CG1 4.04Å; I22-V36 HydrophobicContact CG2-CG1 3.86Å; I22-V36 HydrophobicContact CG2-CG2 4.17Å; K23-V36 HydrophobicContact CB-CG2 4.33Å; I33-V36 HydrophobicContact CD1-CG2 4.22Å; I33-V36 HydrophobicContact CG2-CG2 3.78Å; V36-V38 HydrophobicContact CG1-CG2 4.48Å; V36-I53 HydrophobicContact CG1-CG1 4.39Å
37K95.1Very high93.7Very high134 Ų13475 Ų7558%0.58342%0.423SS*.EExtended strand (participates in β ladder)trans-128.7103.7176.1-176.1177.4-176.7172.80110.2I39 G51 F52K37-I39 HydrophobicContact CD-CD1 4.29Å; K37-I39 HydrophobicContact CG-CD1 4.12Å; K37-G51 CarbonylContact O-C 3.47Å; K37-G51 WeakPolarHBondContact O-CA 3.05Å; K37-F52 PolarHBondContact N-O 2.96Å; K37-F52 PolarHBondContact O-N 3.08Å
38V95.2Very high93.5Very high8 Ų875.1 Ų75.15%0.04843%0.425CS..EExtended strand (participates in β ladder)trans-80.8130.6171.9-178.90000108.9L13 E19 I22 V36 T47L13-V38 HydrophobicContact CD1-CG1 4.4Å; L13-V38 HydrophobicContact CD1-CG2 4.43Å; E19-V38 HydrophobicContact CG-CB 4.5Å; E19-V38 HydrophobicContact CG-CG2 4.02Å; E19-V38 WeakPolarHBondContact OE1-CB 3.45Å; E19-V38 PolarHBondContact OE1-N 2.84Å; I22-V38 HydrophobicContact CD1-CG2 3.56Å; V36-V38 HydrophobicContact CG1-CG2 4.48Å; V38-T47 HydrophobicContact CG1-CG2 3.78Å
39I93.8Very high93.4Very high32 Ų3271 Ų7116%0.16440%0.404CS..EExtended strand (participates in β ladder)trans-84.4131.9179.3-54-55000109.6K37 L48 Y50 F52K37-I39 HydrophobicContact CD-CD1 4.29Å; K37-I39 HydrophobicContact CG-CD1 4.12Å; I39-L48 HydrophobicContact CG2-CD1 3.72Å; I39-L48 HydrophobicContact CG2-CG 4.32Å; I39-L48 PolarHBondContact O-N 2.96Å; I39-Y50 HydrophobicContact CB-CD2 4.35Å; I39-Y50 HydrophobicContact CB-CE1 4.18Å; I39-Y50 HydrophobicContact CB-CE2 3.9Å; I39-Y50 HydrophobicContact CG1-CD2 3.97Å; I39-Y50 HydrophobicContact CG1-CE2 3.48Å; I39-Y50 VanDerWaalsContact CG1-CE2 3.48Å; I39-Y50 HydrophobicContact CG2-CE1 4.3Å; I39-Y50 HydrophobicContact CG2-CE2 4.37Å; I39-Y50 PolarHBondContact N-O 3.2Å; I39-F52 HydrophobicContact CD1-CD2 3.94Å; I39-F52 HydrophobicContact CD1-CE2 4Å; I39-F52 HydrophobicContact CG1-CD2 4.01Å; I39-F52 HydrophobicContact CG1-CE2 3.84Å
40R94.5Very high93.4Very high117 Ų11773.2 Ų73.244%0.44241%0.408SS..EExtended strand (participates in β ladder)trans-125.9149.5-177.7-53.5-179.1-165.7-176.10.7110.1E19 K42 Q46 T47E19-R40 IonicContact OE1-CZ 3.05Å; E19-R40 IonicContact OE1-NE 2.67Å; E19-R40 IonicContact OE1-NH2 3.29Å; E19-R40 PolarHBondContact OE1-NH2 3.4Å; E19-R40 IonicContact OE2-NH2 2.93Å; E19-R40 PolarHBondContact OE2-NH2 3.42Å; R40-K42 PolarHBondContact O-N 3.32Å; R40-Q46 CarbonylContact C-O 3.52Å; R40-Q46 VanDerWaalsContact CA-O 3.23Å; R40-Q46 WeakPolarHBondContact CA-O 3.37Å; R40-T47 HydrophobicContact CG-CG2 4.22Å
41N92.3Very high93.4Very high65 Ų6570.6 Ų70.635%0.34838%0.382SS..  trans-62.8125.5170.7-173.7-38.3000108.9A43 T44 G45 Q46 L48N41-A43 PolarHBondContact O-N 3.28Å; N41-A43 PolarHBondContact OD1-N 3.04Å; N41-T44 WeakPolarHBondContact CB-OG1 3.48Å; N41-G45 VanDerWaalsContact O-CA 3.31Å; N41-G45 WeakPolarHBondContact O-CA 3.41Å; N41-G45 PolarHBondContact O-N 3.07Å; N41-Q46 PolarHBondContact N-O 3.34Å; N41-L48 HydrophobicContact CB-CD2 3.9Å
42K91.8Very high93.4Very high218 Ų21872.4 Ų72.495%0.94839%0.389SS*.THydrogen-bonded Turntrans-63.6-28.7-177.4-65.7-176.1178.9-178.40113.3R40R40-K42 PolarHBondContact O-N 3.32Å
43A92.2Very high93.5Very high93 Ų9366.1 Ų66.177%0.76936%0.356SS*.THydrogen-bonded Turntrans-86.6-42.3-177.300000112.6N41N41-A43 PolarHBondContact O-N 3.28Å; N41-A43 PolarHBondContact OD1-N 3.04Å
44T92.1Very high93.5Very high85 Ų8568.5 Ų68.552%0.52137%0.366SS..THydrogen-bonded Turntrans-101-13.6-173.865.30000114N41 Q46N41-T44 WeakPolarHBondContact CB-OG1 3.48Å; T44-Q46 PolarHBondContact O-N 3.43Å; T44-Q46 VanDerWaalsContact O-N 3.15Å; T44-Q46 PolarHBondContact OG1-N 3.43Å
45G89.3Confident93.5Very high47 Ų4764.5 Ų64.549%0.48534%0.342SS..  trans71.3-4.3-172.800000114.6N41N41-G45 VanDerWaalsContact O-CA 3.31Å; N41-G45 WeakPolarHBondContact O-CA 3.41Å; N41-G45 PolarHBondContact O-N 3.07Å
46Q89.5Confident93.5Very high140 Ų14066.1 Ų66.165%0.65436%0.358SS*.  trans-70.8141.4-179-67.2-174-6.400111.6R40 N41 T44R40-Q46 CarbonylContact C-O 3.52Å; R40-Q46 VanDerWaalsContact CA-O 3.23Å; R40-Q46 WeakPolarHBondContact CA-O 3.37Å; N41-Q46 PolarHBondContact N-O 3.34Å; T44-Q46 PolarHBondContact O-N 3.43Å; T44-Q46 VanDerWaalsContact O-N 3.15Å; T44-Q46 PolarHBondContact OG1-N 3.43Å
47T92Very high93.3Very high32 Ų3268.1 Ų68.120%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-63.5135.6175.8550000111.2P15 V38 R40 G49P15-T47 WeakPolarHBondContact CA-OG1 3.41Å; V38-T47 HydrophobicContact CG1-CG2 3.78Å; R40-T47 HydrophobicContact CG-CG2 4.22Å; T47-G49 PolarHBondContact O-N 3.38Å
48L91.7Very high93.1Very high87 Ų8763.7 Ų63.746%0.45535%0.354SS..EExtended strand (participates in β ladder)trans-81.27.3175.7-62.1-173.8000113.2I39 N41 Y50I39-L48 HydrophobicContact CG2-CD1 3.72Å; I39-L48 HydrophobicContact CG2-CG 4.32Å; I39-L48 PolarHBondContact O-N 2.96Å; N41-L48 HydrophobicContact CB-CD2 3.9Å; L48-Y50 VanDerWaalsContact C-N 3.35Å; L48-Y50 HydrophobicContact CB-CD1 3.88Å; L48-Y50 HydrophobicContact CB-CE1 3.64Å; L48-Y50 HydrophobicContact CD1-CE1 4.03Å; L48-Y50 HydrophobicContact CG-CE1 4.5Å
49G92.6Very high93Very high19 Ų1966.4 Ų66.420%0.19637%0.37CS..EExtended strand (participates in β ladder)trans77.215.8178.900000115G11 D12 L13 T47G11-G49 CarbonylContact C-O 3.46Å; D12-G49 PolarHBondContact N-O 2.89Å; L13-G49 PolarHBondContact N-O 3.25Å; L13-G49 WeakPolarHBondContact O-CA 3.42Å; T47-G49 PolarHBondContact O-N 3.38Å
50Y94.7Very high93Very high73 Ų7366.8 Ų66.829%0.28638%0.376SS..EExtended strand (participates in β ladder)trans-149.1162.2173.374.9-82.8000112.7W9 M10 I39 L48 F52W9-Y50 AromaticContact CD1-CD2 3.79Å; W9-Y50 AromaticContact NE1-CD2 3.27Å; W9-Y50 VanDerWaalsContact NE1-CD2 3.27Å; W9-Y50 AromaticContact NE1-CG 3.65Å; M10-Y50 CarbonylContact O-C 3.58Å; M10-Y50 WeakPolarHBondContact O-CA 3.33Å; M10-Y50 WeakPolarHBondContact O-CB 3.34Å; I39-Y50 HydrophobicContact CB-CD2 4.35Å; I39-Y50 HydrophobicContact CB-CE1 4.18Å; I39-Y50 HydrophobicContact CB-CE2 3.9Å; I39-Y50 HydrophobicContact CG1-CD2 3.97Å; I39-Y50 HydrophobicContact CG1-CE2 3.48Å; I39-Y50 VanDerWaalsContact CG1-CE2 3.48Å; I39-Y50 HydrophobicContact CG2-CE1 4.3Å; I39-Y50 HydrophobicContact CG2-CE2 4.37Å; I39-Y50 PolarHBondContact N-O 3.2Å; L48-Y50 VanDerWaalsContact C-N 3.35Å; L48-Y50 HydrophobicContact CB-CD1 3.88Å; L48-Y50 HydrophobicContact CB-CE1 3.64Å; L48-Y50 HydrophobicContact CD1-CE1 4.03Å; L48-Y50 HydrophobicContact CG-CE1 4.5Å; Y50-F52 HydrophobicContact CD2-CE2 4.25Å; Y50-F52 AromaticContact CE2-CE2 3.82Å; Y50-F52 HydrophobicContact CE2-CE2 3.82Å; Y50-F52 HydrophobicContact CE2-CZ 4.14Å
51G93.4Very high92.9Very high1 Ų161.2 Ų61.21%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-154174179.900000112.7M10 K37M10-G51 PolarHBondContact N-O 3.45Å; M10-G51 PolarHBondContact O-N 2.98Å; K37-G51 CarbonylContact O-C 3.47Å; K37-G51 WeakPolarHBondContact O-CA 3.05Å
52F95.1Very high92.8Very high61 Ų6159.5 Ų59.527%0.26834%0.344SS..EExtended strand (participates in β ladder)trans-118.9138.8176.6-63.5-84.5000109.7T7 I8 W9 K37 I39 Y50 A86T7-F52 HydrophobicContact CG2-CB 3.86Å; T7-F52 HydrophobicContact CG2-CD1 4.25Å; I8-F52 WeakPolarHBondContact O-CA 3.38Å; W9-F52 HydrophobicContact CB-CD1 4.5Å; W9-F52 HydrophobicContact CB-CE1 4.35Å; W9-F52 AromaticContact CD1-CE1 3.94Å; K37-F52 PolarHBondContact N-O 2.96Å; K37-F52 PolarHBondContact O-N 3.08Å; I39-F52 HydrophobicContact CD1-CD2 3.94Å; I39-F52 HydrophobicContact CD1-CE2 4Å; I39-F52 HydrophobicContact CG1-CD2 4.01Å; I39-F52 HydrophobicContact CG1-CE2 3.84Å; Y50-F52 HydrophobicContact CD2-CE2 4.25Å; Y50-F52 AromaticContact CE2-CE2 3.82Å; Y50-F52 HydrophobicContact CE2-CE2 3.82Å; Y50-F52 HydrophobicContact CE2-CZ 4.14Å; F52-A86 HydrophobicContact CD1-CB 4.2Å; F52-A86 HydrophobicContact CE1-CB 4.35Å
53I95.9Very high92.9Very high1 Ų151.4 Ų51.41%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-124.6123.4-176.2-57.1168.2000107.6T7 I8 M10 I22 F26 I33 V36 F55T7-I53 CarbonylContact C-O 3.47Å; T7-I53 VanDerWaalsContact CA-O 3.26Å; T7-I53 WeakPolarHBondContact CA-O 3.49Å; T7-I53 WeakPolarHBondContact CG2-O 3.49Å; I8-I53 HydrophobicContact CD1-CB 4.22Å; I8-I53 HydrophobicContact CD1-CD1 4.21Å; I8-I53 HydrophobicContact CG1-CB 3.68Å; I8-I53 HydrophobicContact CG1-CD1 4.31Å; I8-I53 HydrophobicContact CG1-CG1 4.44Å; I8-I53 HydrophobicContact CG1-CG2 4.36Å; I8-I53 PolarHBondContact N-O 3.37Å; I8-I53 PolarHBondContact O-N 3.08Å; M10-I53 HydrophobicContact CB-CD1 3.8Å; M10-I53 HydrophobicContact CG-CD1 4.4Å; M10-I53 HydrophobicContact SD-CD1 3.74Å; I22-I53 HydrophobicContact CG2-CD1 3.82Å; I22-I53 HydrophobicContact CG2-CG1 4.23Å; F26-I53 HydrophobicContact CD2-CD1 4.18Å; F26-I53 HydrophobicContact CE1-CD1 4.26Å; F26-I53 HydrophobicContact CE2-CD1 3.26Å; F26-I53 HydrophobicContact CZ-CD1 3.31Å; I33-I53 HydrophobicContact CB-CG2 4.28Å; I33-I53 HydrophobicContact CD1-CG2 3.45Å; I33-I53 VanDerWaalsContact CD1-CG2 3.45Å; I33-I53 HydrophobicContact CG1-CG2 3.61Å; I33-I53 HydrophobicContact CG2-CG2 3.65Å; V36-I53 HydrophobicContact CG1-CG1 4.39Å; I53-F55 HydrophobicContact CB-CE2 4.34Å; I53-F55 HydrophobicContact CG2-CD2 4.21Å; I53-F55 HydrophobicContact CG2-CE2 3.59Å; I53-F55 HydrophobicContact CG2-CZ 4.23Å
54E95.2Very high93Very high67 Ų6747 Ų4731%0.31327%0.274SS..EExtended strand (participates in β ladder)trans-101.3127.3-176.6-166.6-176.2169.900110.3H6 I33 V34 S35H6-E54 VanDerWaalsContact CD2-CG 3.5Å; H6-E54 WeakPolarHBondContact CD2-CG 3.04Å; H6-E54 IonicContact CD2-OE1 3.11Å; H6-E54 IonicContact NE2-OE1 3.97Å; I33-E54 WeakPolarHBondContact CG2-O 3.4Å; V34-E54 HydrophobicContact CB-CB 4.45Å; V34-E54 HydrophobicContact CB-CG 4.4Å; V34-E54 WeakPolarHBondContact CB-O 3.23Å; V34-E54 PolarHBondContact N-O 3.46Å; S35-E54 WeakPolarHBondContact CB-OE2 3.44Å; S35-E54 PolarHBondContact N-O 3Å; S35-E54 PolarHBondContact O-N 3.43Å; S35-E54 VanDerWaalsContact OG-CB 3.23Å; S35-E54 WeakPolarHBondContact OG-CB 3.26Å; S35-E54 PolarHBondContact OG-OE2 3.41Å
55F95.7Very high93Very high2 Ų243.6 Ų43.61%0.00925%0.253CS..EExtended strand (participates in β ladder)trans-105.2161.3175-71.9-103.3000110.3H6 I8 F26 E31 I33 I53 N57 A61 A64H6-F55 PolarHBondContact O-N 2.63Å; I8-F55 HydrophobicContact CD1-CE2 3.52Å; I8-F55 HydrophobicContact CD1-CZ 4.07Å; I8-F55 HydrophobicContact CG1-CD2 4.49Å; I8-F55 HydrophobicContact CG1-CE2 3.82Å; I8-F55 HydrophobicContact CG2-CE2 4.37Å; F26-F55 HydrophobicContact CD1-CZ 4.03Å; F26-F55 AromaticContact CE1-CZ 3.94Å; F26-F55 HydrophobicContact CE1-CZ 3.94Å; E31-F55 HydrophobicContact CB-CE1 4.2Å; I33-F55 HydrophobicContact CG1-CE1 4.4Å; I33-F55 HydrophobicContact CG1-CZ 4.22Å; I53-F55 HydrophobicContact CB-CE2 4.34Å; I53-F55 HydrophobicContact CG2-CD2 4.21Å; I53-F55 HydrophobicContact CG2-CE2 3.59Å; I53-F55 HydrophobicContact CG2-CZ 4.23Å; F55-N57 PolarHBondContact O-N 3.14Å; F55-A61 HydrophobicContact CB-CB 3.95Å; F55-A61 HydrophobicContact CD2-CB 3.82Å; F55-A61 HydrophobicContact CG-CB 3.94Å; F55-A64 HydrophobicContact CE1-CB 3.53Å; F55-A64 HydrophobicContact CZ-CB 3.54Å
56A94.3Very high93.1Very high81 Ų8142 Ų4267%0.66923%0.233SC*.SBendtrans-62.6-29.317800000113V34V34-A56 HydrophobicContact CG2-CB 4.08Å
57N93.2Very high93.3Very high68 Ų6838.3 Ų38.336%0.36422%0.215SC..SBendtrans-149.7160.6179.26675.4000110.9F55 T59 S60 A61F55-N57 PolarHBondContact O-N 3.14Å; N57-T59 PolarHBondContact O-N 3.46Å; N57-T59 WeakPolarHBondContact OD1-CA 3.41Å; N57-T59 WeakPolarHBondContact OD1-CB 3.45Å; N57-T59 PolarHBondContact OD1-N 3.3Å; N57-S60 PolarHBondContact ND2-OG 2.93Å; N57-S60 PolarHBondContact OD1-N 3.03Å; N57-S60 PolarHBondContact OD1-OG 3.09Å; N57-A61 PolarHBondContact O-N 2.9Å; N57-A61 VanDerWaalsContact O-N 3.16Å
58S91Very high93.4Very high40 Ų4037.1 Ų37.128%0.2821%0.207SC..Hα-helixtrans-68.3-22.5-177.862.30000114.2F4 R62F4-S58 WeakPolarHBondContact O-CB 3.43Å; S58-R62 WeakPolarHBondContact O-CB 3.24Å; S58-R62 PolarHBondContact O-N 3.3Å; S58-R62 VanDerWaalsContact O-N 3.12Å
59T91.9Very high93.4Very high65 Ų6534.5 Ų34.540%0.39919%0.194SC..Hα-helixtrans-74.3-49.5177.1-65.30000111.3N57 A61 R62 D63N57-T59 PolarHBondContact O-N 3.46Å; N57-T59 WeakPolarHBondContact OD1-CA 3.41Å; N57-T59 WeakPolarHBondContact OD1-CB 3.45Å; N57-T59 PolarHBondContact OD1-N 3.3Å; T59-A61 VanDerWaalsContact C-N 3.28Å; T59-A61 PolarHBondContact O-N 3.4Å; T59-R62 PolarHBondContact O-N 3.15Å; T59-R62 VanDerWaalsContact O-N 3.15Å; T59-R62 PolarHBondContact OG1-NH1 3.42Å; T59-D63 WeakPolarHBondContact CG2-OD2 3.26Å; T59-D63 WeakPolarHBondContact O-CB 2.92Å; T59-D63 PolarHBondContact O-N 3.09Å
60S93.6Very high93.2Very high41 Ų4134.7 Ų34.729%0.28720%0.195SC..Hα-helixtrans-57.1-41.7172.5-59.50000111.6N57 R62 D63 A64N57-S60 PolarHBondContact ND2-OG 2.93Å; N57-S60 PolarHBondContact OD1-N 3.03Å; N57-S60 PolarHBondContact OD1-OG 3.09Å; S60-R62 PolarHBondContact O-N 3Å; S60-D63 PolarHBondContact O-N 3.18Å; S60-A64 WeakPolarHBondContact O-CB 3.4Å; S60-A64 PolarHBondContact O-N 3.28Å
61A93Very high93Very high0 Ų035.2 Ų35.20%020%0.199CC..Hα-helixtrans-58.3-48.2174.900000112.7I8 F55 N57 T59 M65I8-A61 HydrophobicContact CG2-CB 3.91Å; F55-A61 HydrophobicContact CB-CB 3.95Å; F55-A61 HydrophobicContact CD2-CB 3.82Å; F55-A61 HydrophobicContact CG-CB 3.94Å; N57-A61 PolarHBondContact O-N 2.9Å; N57-A61 VanDerWaalsContact O-N 3.16Å; T59-A61 VanDerWaalsContact C-N 3.28Å; T59-A61 PolarHBondContact O-N 3.4Å; A61-M65 VanDerWaalsContact O-CB 3.26Å; A61-M65 WeakPolarHBondContact O-CB 3.32Å; A61-M65 PolarHBondContact O-N 3.48Å
62R91Very high93Very high29 Ų2939.8 Ų39.811%0.10922%0.223CC..Hα-helixtrans-66.3-47.2180-172.7-163.8-42.794.910111.4F4 S58 T59 S60 M65 L66F4-R62 VanDerWaalsContact CD2-NE 3.29Å; F4-R62 VanDerWaalsContact CE2-NE 3.31Å; S58-R62 WeakPolarHBondContact O-CB 3.24Å; S58-R62 PolarHBondContact O-N 3.3Å; S58-R62 VanDerWaalsContact O-N 3.12Å; T59-R62 PolarHBondContact O-N 3.15Å; T59-R62 VanDerWaalsContact O-N 3.15Å; T59-R62 PolarHBondContact OG1-NH1 3.42Å; S60-R62 PolarHBondContact O-N 3Å; R62-M65 WeakPolarHBondContact O-CB 3.36Å; R62-M65 PolarHBondContact O-N 3.13Å; R62-L66 HydrophobicContact CG-CD1 3.95Å; R62-L66 HydrophobicContact CG-CG 4.45Å; R62-L66 VanDerWaalsContact O-CG 3.31Å; R62-L66 WeakPolarHBondContact O-CG 3.32Å; R62-L66 PolarHBondContact O-N 2.61Å
63D92.9Very high93Very high48 Ų4837.1 Ų37.126%0.25721%0.211SC..Hα-helixtrans-67.1-43-175.1-63.8-1.9000109.9T59 S60 M65 L66 K67 L112T59-D63 WeakPolarHBondContact CG2-OD2 3.26Å; T59-D63 WeakPolarHBondContact O-CB 2.92Å; T59-D63 PolarHBondContact O-N 3.09Å; S60-D63 PolarHBondContact O-N 3.18Å; D63-M65 PolarHBondContact O-N 3Å; D63-L66 PolarHBondContact O-N 2.95Å; D63-K67 WeakPolarHBondContact O-CB 3.47Å; D63-K67 PolarHBondContact O-N 2.89Å; D63-L112 HydrophobicContact CB-CD1 4.1Å; D63-L112 HydrophobicContact CB-CD2 4.49Å
64A94.3Very high92.9Very high0 Ų039 Ų390%022%0.224CC..Hα-helixtrans-60.2-43.5172.300000112E31 F55 S60 K67 L68E31-A64 HydrophobicContact CB-CB 4.49Å; E31-A64 HydrophobicContact CG-CB 3.85Å; F55-A64 HydrophobicContact CE1-CB 3.53Å; F55-A64 HydrophobicContact CZ-CB 3.54Å; S60-A64 WeakPolarHBondContact O-CB 3.4Å; S60-A64 PolarHBondContact O-N 3.28Å; A64-K67 PolarHBondContact O-N 3.25Å; A64-L68 VanDerWaalsContact O-CB 3.27Å; A64-L68 WeakPolarHBondContact O-CB 3.3Å; A64-L68 WeakPolarHBondContact O-CG 3.24Å; A64-L68 PolarHBondContact O-N 3.4Å
65M92.8Very high92.7Very high14 Ų1439.2 Ų39.27%0.06924%0.244CC..Hα-helixtrans-59.6-52176.4-178.9-171.769.900111.2I8 A61 R62 D63 K67 N69 L83 H85I8-M65 HydrophobicContact CG2-CB 4.3Å; A61-M65 VanDerWaalsContact O-CB 3.26Å; A61-M65 WeakPolarHBondContact O-CB 3.32Å; A61-M65 PolarHBondContact O-N 3.48Å; R62-M65 WeakPolarHBondContact O-CB 3.36Å; R62-M65 PolarHBondContact O-N 3.13Å; D63-M65 PolarHBondContact O-N 3Å; M65-K67 VanDerWaalsContact C-N 3.34Å; M65-K67 PolarHBondContact O-N 2.83Å; M65-N69 WeakPolarHBondContact O-CB 3.31Å; M65-N69 PolarHBondContact O-N 2.95Å; M65-N69 VanDerWaalsContact O-N 3.08Å; M65-L83 HydrophobicContact CB-CB 4.48Å; M65-L83 HydrophobicContact CG-CB 3.83Å; M65-H85 PolarHBondContact SD-N 2.92Å
66L92Very high92.6Very high12 Ų1239.2 Ų39.26%0.06324%0.244CC..Hα-helixtrans-66.1-36.8-178.8-66.7172.2000112.1R62 D63 D111 L112 F115R62-L66 HydrophobicContact CG-CD1 3.95Å; R62-L66 HydrophobicContact CG-CG 4.45Å; R62-L66 VanDerWaalsContact O-CG 3.31Å; R62-L66 WeakPolarHBondContact O-CG 3.32Å; R62-L66 PolarHBondContact O-N 2.61Å; D63-L66 PolarHBondContact O-N 2.95Å; L66-D111 HydrophobicContact CB-CB 4.15Å; L66-D111 HydrophobicContact CD2-CB 3.91Å; L66-D111 WeakPolarHBondContact O-CB 3.38Å; L66-L112 HydrophobicContact CB-CB 3.87Å; L66-L112 HydrophobicContact CB-CD1 4.27Å; L66-L112 HydrophobicContact CD1-CD1 4.21Å; L66-F115 HydrophobicContact CD1-CB 3.71Å; L66-F115 HydrophobicContact CD1-CD1 3.81Å; L66-F115 HydrophobicContact CD1-CD2 4.29Å; L66-F115 HydrophobicContact CD1-CG 3.66Å
67K93.2Very high92.2Very high64 Ų6440.7 Ų40.728%0.27825%0.247SC..Hα-helixtrans-73.3-42-179.6179.9179.4160.1-157.30112.7S29 E31 D63 A64 M65 K71 L112S29-K67 PolarHBondContact O-NZ 3.26Å; E31-K67 IonicContact OE1-NZ 3.61Å; E31-K67 PolarHBondContact OE1-NZ 3.42Å; D63-K67 WeakPolarHBondContact O-CB 3.47Å; D63-K67 PolarHBondContact O-N 2.89Å; A64-K67 PolarHBondContact O-N 3.25Å; M65-K67 VanDerWaalsContact C-N 3.34Å; M65-K67 PolarHBondContact O-N 2.83Å; K67-K71 WeakPolarHBondContact O-CD 3.4Å; K67-K71 WeakPolarHBondContact O-CE 3.39Å; K67-K71 PolarHBondContact O-NZ 3.21Å; K67-L112 HydrophobicContact CB-CB 4.36Å; K67-L112 HydrophobicContact CB-CD2 3.91Å; K67-L112 HydrophobicContact CD-CD2 4.41Å; K67-L112 HydrophobicContact CG-CD2 4.45Å
68L94Very high92.1Very high6 Ų643.2 Ų43.23%0.03127%0.265CS..Hα-helixtrans-95.8-23.5-169.1-60.9-177.6000113.5F26 E31 A64 G70 K71 F81 L83F26-L68 HydrophobicContact CD1-CD1 3.72Å; F26-L68 HydrophobicContact CE1-CD1 3.79Å; E31-L68 HydrophobicContact CG-CD1 3.7Å; E31-L68 HydrophobicContact CG-CG 4.46Å; A64-L68 VanDerWaalsContact O-CB 3.27Å; A64-L68 WeakPolarHBondContact O-CB 3.3Å; A64-L68 WeakPolarHBondContact O-CG 3.24Å; A64-L68 PolarHBondContact O-N 3.4Å; L68-G70 PolarHBondContact O-N 3.47Å; L68-K71 VanDerWaalsContact O-CB 3.28Å; L68-K71 WeakPolarHBondContact O-CB 3.36Å; L68-K71 PolarHBondContact O-N 3.21Å; L68-F81 HydrophobicContact CB-CB 4.46Å; L68-F81 HydrophobicContact CB-CD2 4.07Å; L68-F81 HydrophobicContact CB-CG 4.2Å; L68-F81 VanDerWaalsContact O-CB 3.23Å; L68-F81 WeakPolarHBondContact O-CB 3.33Å; L68-L83 HydrophobicContact CB-CD1 3.83Å
69N91.6Very high92.2Very high32 Ų3244.2 Ų44.217%0.17126%0.263CS..THydrogen-bonded Turntrans-55.6131-177.2-164.829.6000111.9M65 K71 F81 L83M65-N69 WeakPolarHBondContact O-CB 3.31Å; M65-N69 PolarHBondContact O-N 2.95Å; M65-N69 VanDerWaalsContact O-N 3.08Å; N69-K71 PolarHBondContact O-N 3.29Å; N69-F81 PolarHBondContact OD1-O 3.34Å; N69-L83 HydrophobicContact CB-CB 4.3Å; N69-L83 PolarHBondContact ND2-O 3.47Å; N69-L83 PolarHBondContact OD1-N 3Å; N69-L83 PolarHBondContact OD1-O 3.05Å
70G88.5Confident92.2Very high23 Ų2345.2 Ų45.224%0.23726%0.259CS..THydrogen-bonded Turntrans80.3-13.7-176.500000115.9L68 R80 F81L68-G70 PolarHBondContact O-N 3.47Å; G70-R80 WeakPolarHBondContact O-CD 3.38Å; G70-F81 PolarHBondContact N-O 3.47Å
71K90.8Very high92.3Very high84 Ų8443.4 Ų43.437%0.36525%0.246SC..SBendtrans-75.1157.7175.5-61.8-172.5177.1158.80111.1K67 L68 N69 R80 F81 D110K67-K71 WeakPolarHBondContact O-CD 3.4Å; K67-K71 WeakPolarHBondContact O-CE 3.39Å; K67-K71 PolarHBondContact O-NZ 3.21Å; L68-K71 VanDerWaalsContact O-CB 3.28Å; L68-K71 WeakPolarHBondContact O-CB 3.36Å; L68-K71 PolarHBondContact O-N 3.21Å; N69-K71 PolarHBondContact O-N 3.29Å; K71-R80 CarbonylContact O-C 3.5Å; K71-R80 WeakPolarHBondContact O-CA 3.24Å; K71-R80 VanDerWaalsContact O-CB 3.32Å; K71-R80 WeakPolarHBondContact O-CB 3.18Å; K71-F81 HydrophobicContact CB-CD2 4.45Å; K71-F81 PolarHBondContact O-N 2.89Å; K71-D110 IonicContact NZ-OD2 2.76Å; K71-D110 PolarHBondContact NZ-OD2 2.81Å
72L92.9Very high92.3Very high97 Ų9747.9 Ų47.951%0.50827%0.265SS..EExtended strand (participates in β ladder)trans-65.7142.3178.3-68.2170.2000110.9P74 R80 F81L72-P74 WeakPolarHBondContact O-CD 3.15Å; L72-R80 HydrophobicContact CD2-CG 3.84Å; L72-F81 WeakPolarHBondContact O-CE2 3.4Å
73I95.1Very high92.4Very high5 Ų546.5 Ų46.53%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-82.5122.8175.5-60175.4000108.4M10 M17 F21 A25 G75 A76 R79 R80 F81M10-I73 HydrophobicContact CE-CD1 3.57Å; M10-I73 HydrophobicContact CE-CG1 4.35Å; M17-I73 HydrophobicContact CE-CD1 4.35Å; M17-I73 HydrophobicContact SD-CD1 4.44Å; F21-I73 HydrophobicContact CE1-CG2 3.78Å; F21-I73 HydrophobicContact CZ-CG2 4.07Å; A25-I73 HydrophobicContact CB-CG2 3.83Å; I73-G75 PolarHBondContact O-N 3.45Å; I73-A76 HydrophobicContact CB-CB 4.24Å; I73-A76 HydrophobicContact CG2-CB 4.35Å; I73-A76 CarbonylContact O-C 3.55Å; I73-A76 PolarHBondContact O-N 3.08Å; I73-R79 HydrophobicContact CD1-CB 4.06Å; I73-R79 PolarHBondContact N-O 3.28Å; I73-R80 VanDerWaalsContact CG1-C 3.5Å; I73-F81 HydrophobicContact CB-CE2 4.49Å; I73-F81 HydrophobicContact CB-CZ 4.47Å; I73-F81 HydrophobicContact CG1-CD1 4.01Å; I73-F81 HydrophobicContact CG1-CD2 4.06Å; I73-F81 HydrophobicContact CG1-CE1 4.14Å; I73-F81 HydrophobicContact CG1-CE2 4.22Å; I73-F81 HydrophobicContact CG1-CG 3.96Å; I73-F81 HydrophobicContact CG1-CZ 4.25Å; I73-F81 HydrophobicContact CG2-CE1 4.46Å; I73-F81 HydrophobicContact CG2-CZ 4.3Å
74P93.8Very high92.3Very high42 Ų4245.9 Ų45.927%0.27326%0.257SS..THydrogen-bonded Turntrans-54.5129.4173.4-26.635.5000111.3T28 L72 A76T28-P74 HydrophobicContact CG2-CB 3.82Å; T28-P74 HydrophobicContact CG2-CG 3.98Å; L72-P74 WeakPolarHBondContact O-CD 3.15Å; P74-A76 VanDerWaalsContact C-N 3.32Å; P74-A76 PolarHBondContact O-N 2.8Å
75G91.9Very high91.9Very high71 Ų7149 Ų4973%0.73227%0.272SS*.THydrogen-bonded Turntrans83.4-4.8-176.200000115.6I73I73-G75 PolarHBondContact O-N 3.45Å
76A92.8Very high91.6Very high1 Ų149.7 Ų49.71%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-133.586.9174.700000111.3Y16 M17 F21 I73 P74 T78 R79Y16-A76 WeakPolarHBondContact OH-CB 3.39Å; M17-A76 HydrophobicContact CE-CB 3.39Å; F21-A76 HydrophobicContact CZ-CB 3.88Å; I73-A76 HydrophobicContact CB-CB 4.24Å; I73-A76 HydrophobicContact CG2-CB 4.35Å; I73-A76 CarbonylContact O-C 3.55Å; I73-A76 PolarHBondContact O-N 3.08Å; P74-A76 VanDerWaalsContact C-N 3.32Å; P74-A76 PolarHBondContact O-N 2.8Å; A76-T78 VanDerWaalsContact C-N 3.26Å; A76-T78 PolarHBondContact O-N 2.99Å; A76-T78 VanDerWaalsContact O-N 3.16Å; A76-R79 HydrophobicContact CB-CB 3.94Å; A76-R79 HydrophobicContact CB-CG 4.4Å; A76-R79 PolarHBondContact O-N 3.48Å
77P86.8Confident90.8Very high112 Ų11252 Ų5273%0.72730%0.296SS*.EExtended strand (participates in β ladder)trans-66.9-21.7-167.226.2-35.4000114.6
78T90.1Very high89.6Confident121 Ų12155.1 Ų55.174%0.74231%0.307SS*.EExtended strand (participates in β ladder)trans-93.8-7.6178.2560000112.9A76A76-T78 VanDerWaalsContact C-N 3.26Å; A76-T78 PolarHBondContact O-N 2.99Å; A76-T78 VanDerWaalsContact O-N 3.16Å
79R92.7Very high87.9Confident61 Ų6158.6 Ų58.623%0.2335%0.345CS..EExtended strand (participates in β ladder)trans-113.6151.9-172.5-66-66.7-173.6-175.8-3.7111.4D12 E14 M17 I73 A76D12-R79 IonicContact OD1-CZ 2.86Å; D12-R79 IonicContact OD1-NH1 3.29Å; D12-R79 PolarHBondContact OD1-NH1 3.42Å; D12-R79 IonicContact OD2-CZ 3.21Å; D12-R79 IonicContact OD2-NH1 3.83Å; D12-R79 PolarHBondContact OD2-NH1 3.39Å; E14-R79 HydrophobicContact CG-CG 4.36Å; E14-R79 IonicContact OE1-CZ 3.83Å; E14-R79 IonicContact OE1-NE 2.99Å; E14-R79 PolarHBondContact OE1-NE 3.45Å; E14-R79 IonicContact OE1-NH2 2.56Å; E14-R79 PolarHBondContact OE1-NH2 3.24Å; M17-R79 HydrophobicContact CE-CB 3.79Å; M17-R79 HydrophobicContact CE-CG 3.74Å; I73-R79 HydrophobicContact CD1-CB 4.06Å; I73-R79 PolarHBondContact N-O 3.28Å; A76-R79 HydrophobicContact CB-CB 3.94Å; A76-R79 HydrophobicContact CB-CG 4.4Å; A76-R79 PolarHBondContact O-N 3.48Å
80R93.7Very high86.2Confident86 Ų8666.4 Ų66.433%0.32538%0.377SS..EExtended strand (participates in β ladder)trans-133.9147.6-174.3-70.8168.5174.3-144.31.1110.4G70 K71 L72 I73 K82 N133G70-R80 WeakPolarHBondContact O-CD 3.38Å; K71-R80 CarbonylContact O-C 3.5Å; K71-R80 WeakPolarHBondContact O-CA 3.24Å; K71-R80 VanDerWaalsContact O-CB 3.32Å; K71-R80 WeakPolarHBondContact O-CB 3.18Å; L72-R80 HydrophobicContact CD2-CG 3.84Å; I73-R80 VanDerWaalsContact CG1-C 3.5Å; R80-K82 PolarHBondContact O-N 2.92Å; R80-K82 VanDerWaalsContact O-N 3.16Å; R80-N133 VanDerWaalsContact CZ-C 3.49Å; R80-N133 PolarHBondContact NH1-O 3.45Å; R80-N133 VanDerWaalsContact NH2-C 3.29Å; R80-N133 PolarHBondContact NH2-O 3.04Å
81F94.4Very high84.4Confident3 Ų368.5 Ų68.51%0.01338%0.383CS..  trans-59120.8174.6-73.6-70.9000109.2M10 A25 F26 L68 N69 G70 K71 L72 I73 L83M10-F81 HydrophobicContact CE-CD1 3.65Å; M10-F81 HydrophobicContact CE-CE1 3.99Å; M10-F81 HydrophobicContact SD-CD1 4.39Å; A25-F81 HydrophobicContact CB-CZ 4.24Å; F26-F81 AromaticContact CD2-CE1 3.81Å; F26-F81 HydrophobicContact CD2-CE1 3.81Å; F26-F81 HydrophobicContact CD2-CZ 4.48Å; F26-F81 AromaticContact CE2-CD1 3.97Å; F26-F81 HydrophobicContact CE2-CD1 3.97Å; F26-F81 AromaticContact CE2-CE1 3.47Å; F26-F81 HydrophobicContact CE2-CE1 3.47Å; F26-F81 VanDerWaalsContact CE2-CE1 3.47Å; F26-F81 HydrophobicContact CG-CE1 4.49Å; F26-F81 HydrophobicContact CZ-CD1 4.07Å; F26-F81 AromaticContact CZ-CE1 3.92Å; F26-F81 HydrophobicContact CZ-CE1 3.92Å; L68-F81 HydrophobicContact CB-CB 4.46Å; L68-F81 HydrophobicContact CB-CD2 4.07Å; L68-F81 HydrophobicContact CB-CG 4.2Å; L68-F81 VanDerWaalsContact O-CB 3.23Å; L68-F81 WeakPolarHBondContact O-CB 3.33Å; N69-F81 PolarHBondContact OD1-O 3.34Å; G70-F81 PolarHBondContact N-O 3.47Å; K71-F81 HydrophobicContact CB-CD2 4.45Å; K71-F81 PolarHBondContact O-N 2.89Å; L72-F81 WeakPolarHBondContact O-CE2 3.4Å; I73-F81 HydrophobicContact CB-CE2 4.49Å; I73-F81 HydrophobicContact CB-CZ 4.47Å; I73-F81 HydrophobicContact CG1-CD1 4.01Å; I73-F81 HydrophobicContact CG1-CD2 4.06Å; I73-F81 HydrophobicContact CG1-CE1 4.14Å; I73-F81 HydrophobicContact CG1-CE2 4.22Å; I73-F81 HydrophobicContact CG1-CG 3.96Å; I73-F81 HydrophobicContact CG1-CZ 4.25Å; I73-F81 HydrophobicContact CG2-CE1 4.46Å; I73-F81 HydrophobicContact CG2-CZ 4.3Å; F81-L83 HydrophobicContact CB-CD1 4.18Å; F81-L83 HydrophobicContact CB-CD2 4.45Å; F81-L83 HydrophobicContact CB-CG 4.03Å; F81-L83 HydrophobicContact CD1-CD1 4.45Å; F81-L83 HydrophobicContact CD1-CD2 4.3Å
82K93Very high82.4Confident94 Ų9470.2 Ų70.241%0.40941%0.405SS..EExtended strand (participates in β ladder)trans-114.689.6172.1-173.4-176.5-179173.60107.7W9 M10 G11 D12 R80W9-K82 HydrophobicContact CH2-CD 4.27Å; W9-K82 HydrophobicContact CZ3-CD 4.3Å; W9-K82 HydrophobicContact CZ3-CG 4.1Å; M10-K82 WeakPolarHBondContact CA-O 3.34Å; G11-K82 PolarHBondContact N-O 3.28Å; D12-K82 HydrophobicContact CB-CB 4.4Å; D12-K82 HydrophobicContact CB-CD 3.88Å; R80-K82 PolarHBondContact O-N 2.92Å; R80-K82 VanDerWaalsContact O-N 3.16Å
83L93Very high80.3Confident0 Ų071.3 Ų71.30%042%0.416CS..EExtended strand (participates in β ladder)trans-109.7140.5-171.1-51179000110.5I8 W9 M10 F26 M65 L68 N69 F81I8-L83 HydrophobicContact CD1-CD1 4.23Å; I8-L83 HydrophobicContact CD1-CD2 4.13Å; W9-L83 WeakPolarHBondContact O-CA 3.31Å; M10-L83 HydrophobicContact CB-CD2 3.79Å; M10-L83 HydrophobicContact CG-CD2 3.71Å; M10-L83 HydrophobicContact SD-CD2 4.15Å; F26-L83 HydrophobicContact CE1-CD1 4.3Å; F26-L83 HydrophobicContact CZ-CD1 4.12Å; F26-L83 HydrophobicContact CZ-CD2 3.9Å; M65-L83 HydrophobicContact CB-CB 4.48Å; M65-L83 HydrophobicContact CG-CB 3.83Å; L68-L83 HydrophobicContact CB-CD1 3.83Å; N69-L83 HydrophobicContact CB-CB 4.3Å; N69-L83 PolarHBondContact ND2-O 3.47Å; N69-L83 PolarHBondContact OD1-N 3Å; N69-L83 PolarHBondContact OD1-O 3.05Å; F81-L83 HydrophobicContact CB-CD1 4.18Å; F81-L83 HydrophobicContact CB-CD2 4.45Å; F81-L83 HydrophobicContact CB-CG 4.03Å; F81-L83 HydrophobicContact CD1-CD1 4.45Å; F81-L83 HydrophobicContact CD1-CD2 4.3Å
84N90.3Very high78.4Confident36 Ų3673 Ų7319%0.19343%0.429CS..EExtended strand (participates in β ladder)trans-145.5171.1171.9-69.4-70000110.1W9 Y88W9-N84 HydrophobicContact CE3-CB 3.96Å; W9-N84 VanDerWaalsContact CZ3-ND2 3.31Å; W9-N84 WeakPolarHBondContact CZ3-ND2 3.41Å; W9-N84 PolarHBondContact N-O 3.31Å; W9-N84 PolarHBondContact O-N 3.12Å; N84-Y88 HydrophobicContact CB-CD2 3.44Å; N84-Y88 VanDerWaalsContact CB-CD2 3.44Å; N84-Y88 HydrophobicContact CB-CE2 4.13Å; N84-Y88 HydrophobicContact CB-CG 3.68Å; N84-Y88 VanDerWaalsContact CG-CE2 3.48Å; N84-Y88 WeakPolarHBondContact ND2-CE2 3.45Å
85H87.3Confident76.7Confident66 Ų6676.1 Ų76.131%0.30645%0.451SS..EExtended strand (participates in β ladder)trans-56145.8168.2-64.7-68.1000110.8F4 M65 S87 Y88F4-H85 AromaticContact CD1-CE1 3.58Å; F4-H85 AromaticContact CE1-CE1 3.68Å; M65-H85 PolarHBondContact SD-N 2.92Å; H85-S87 PolarHBondContact O-N 3.11Å; H85-Y88 WeakPolarHBondContact O-CB 3.49Å; H85-Y88 PolarHBondContact O-N 2.99Å
86A86Confident75.5Confident27 Ų2779 Ų7922%0.22345%0.45CS..THydrogen-bonded Turntrans-58.2-22.7177.600000114T7 F52 Y88T7-A86 HydrophobicContact CG2-CB 4.09Å; T7-A86 WeakPolarHBondContact O-CB 3.46Å; T7-A86 PolarHBondContact O-N 3.12Å; F52-A86 HydrophobicContact CD1-CB 4.2Å; F52-A86 HydrophobicContact CE1-CB 4.35Å; A86-Y88 PolarHBondContact O-N 2.94Å
87S76.1Confident74.7Confident60 Ų6080.7 Ų80.742%0.4246%0.457SS..THydrogen-bonded Turntrans-72.7-4.8173.9-520000114.1H85 G89 K90H85-S87 PolarHBondContact O-N 3.11Å; S87-G89 PolarHBondContact O-N 3.14Å; S87-G89 VanDerWaalsContact O-N 3.08Å; S87-K90 WeakPolarHBondContact O-CB 3.14Å; S87-K90 PolarHBondContact O-N 2.6Å
88Y66.4Low74.6Confident131 Ų13176.8 Ų76.851%0.51443%0.432SS..THydrogen-bonded Turntrans-46115.8-173-173.6-103.4000112.6W9 N84 H85 A86W9-Y88 HydrophobicContact CD2-CD1 4.28Å; W9-Y88 HydrophobicContact CE3-CD1 4.26Å; W9-Y88 HydrophobicContact CH2-CD1 4.41Å; W9-Y88 HydrophobicContact CH2-CE1 4.28Å; W9-Y88 HydrophobicContact CZ2-CD1 4.46Å; W9-Y88 HydrophobicContact CZ3-CD1 4.33Å; W9-Y88 HydrophobicContact CZ3-CE1 4.37Å; N84-Y88 HydrophobicContact CB-CD2 3.44Å; N84-Y88 VanDerWaalsContact CB-CD2 3.44Å; N84-Y88 HydrophobicContact CB-CE2 4.13Å; N84-Y88 HydrophobicContact CB-CG 3.68Å; N84-Y88 VanDerWaalsContact CG-CE2 3.48Å; N84-Y88 WeakPolarHBondContact ND2-CE2 3.45Å; H85-Y88 WeakPolarHBondContact O-CB 3.49Å; H85-Y88 PolarHBondContact O-N 2.99Å; A86-Y88 PolarHBondContact O-N 2.94Å
89G59Low74.6Confident79 Ų7972.6 Ų72.681%0.81441%0.408SS*.THydrogen-bonded Turntrans100.5-6.1-178.800000115.3S87S87-G89 PolarHBondContact O-N 3.14Å; S87-G89 VanDerWaalsContact O-N 3.08Å
90K55.1Low74.7Confident195 Ų19569.7 Ų69.785%0.84840%0.397SS*.SBendtrans-103.2-10.9-178.9-162.7168.6178.5-1790114.2S87S87-K90 WeakPolarHBondContact O-CB 3.14Å; S87-K90 PolarHBondContact O-N 2.6Å
91D51.6Low74.7Confident68 Ų6868.6 Ų68.636%0.36440%0.395SS..  trans-123.179.6-17133.1-15.7000110.5T93D91-T93 VanDerWaalsContact C-N 3.28Å
92S48.1Very low74.8Confident120 Ų12068.5 Ų68.584%0.83939%0.394SS*.  trans-89.715.5167.874.70000113
93T49.6Very low74.8Confident119 Ų11964.2 Ų64.273%0.7338%0.377SS*.  trans-95.317.9-170.348.30000114.4D91 S95D91-T93 VanDerWaalsContact C-N 3.28Å; T93-S95 PolarHBondContact O-N 3.04Å
94S55.6Low74.8Confident42 Ų4268.2 Ų68.229%0.29440%0.396SS..  trans-78.128.7180-61.70000114.7N96 E97S94-N96 PolarHBondContact O-N 2.66Å; S94-E97 WeakPolarHBondContact CB-OE1 3.34Å; S94-E97 WeakPolarHBondContact CB-OE2 3.22Å; S94-E97 PolarHBondContact O-N 3.46Å; S94-E97 PolarHBondContact OG-OE1 3.08Å; S94-E97 PolarHBondContact OG-OE2 3.46Å
95S56.3Low75Confident106 Ų10666.9 Ų66.974%0.74139%0.389SS*.THydrogen-bonded Turntrans-63.6-14.3-176.860.30000114.2T93T93-S95 PolarHBondContact O-N 3.04Å
96N68.4Low75.2Confident132 Ų13263.9 Ų63.971%0.70638%0.375SS*.THydrogen-bonded Turntrans-117.311.6-174.4-52.1-8.5000112.3S94S94-N96 PolarHBondContact O-N 2.66Å
97E76.1Confident75.4Confident36 Ų3670.4 Ų70.417%0.16840%0.401CS..  trans-81121.2177.1-69.3177.3-175.100110.3S94 R125 R143S94-E97 WeakPolarHBondContact CB-OE1 3.34Å; S94-E97 WeakPolarHBondContact CB-OE2 3.22Å; S94-E97 PolarHBondContact O-N 3.46Å; S94-E97 PolarHBondContact OG-OE1 3.08Å; S94-E97 PolarHBondContact OG-OE2 3.46Å; E97-R125 VanDerWaalsContact OE1-CD 3.24Å; E97-R125 WeakPolarHBondContact OE1-CD 3.37Å; E97-R125 IonicContact OE1-CZ 3.53Å; E97-R125 IonicContact OE1-NE 2.77Å; E97-R125 PolarHBondContact OE1-NE 2.91Å; E97-R125 IonicContact OE1-NH2 3.77Å; E97-R143 VanDerWaalsContact OE2-CD 3.31Å; E97-R143 WeakPolarHBondContact OE2-CD 3.25Å; E97-R143 IonicContact OE2-CZ 2.81Å; E97-R143 IonicContact OE2-NH1 2.68Å; E97-R143 PolarHBondContact OE2-NH1 2.67Å; E97-R143 VanDerWaalsContact OE2-NH1 3.11Å
98C84.6Confident76.1Confident30 Ų3072.9 Ų72.920%0.20341%0.41CS..EExtended strand (participates in β ladder)trans-80.9139.8174.2-50.80000109.1R143 F144 M150C98-R143 WeakPolarHBondContact O-CA 3.45Å; C98-F144 PolarHBondContact N-O 3.29Å; C98-F144 VanDerWaalsContact N-O 3.13Å; C98-F144 PolarHBondContact O-N 3.34Å; C98-M150 HydrophobicContact CB-CB 4.21Å; C98-M150 HydrophobicContact CB-CE 4.11Å; C98-M150 HydrophobicContact CB-CG 4.28Å; C98-M150 HydrophobicContact CB-SD 3.43Å; C98-M150 WeakPolarHBondContact CB-SD 3.5Å
99S90.3Very high77.4Confident34 Ų3466.9 Ų66.924%0.23839%0.387CS..EExtended strand (participates in β ladder)trans-130.5137.7-174.1-63.80000111.8V142 A173S99-V142 CarbonylContact C-O 3.42Å; S99-V142 WeakPolarHBondContact CA-O 3.37Å; S99-A173 WeakPolarHBondContact O-CB 3.17Å; S99-A173 PolarHBondContact O-N 3.17Å
100L93.3Very high78.9Confident0 Ų064.6 Ų64.60%036%0.356CS..EExtended strand (participates in β ladder)trans-102.8142170.3-66.2179.1000110.7F118 F141 V142 F144 M150 A153 L154 V170 S171 L172L100-F118 HydrophobicContact CD1-CE1 4.35Å; L100-F141 CarbonylContact O-C 3.53Å; L100-F141 VanDerWaalsContact O-CA 3.23Å; L100-F141 WeakPolarHBondContact O-CA 3.47Å; L100-V142 PolarHBondContact N-O 3.31Å; L100-V142 PolarHBondContact O-N 3.49Å; L100-F144 HydrophobicContact CB-CE2 4.39Å; L100-F144 HydrophobicContact CD1-CD2 4.44Å; L100-F144 HydrophobicContact CD1-CE2 3.57Å; L100-F144 HydrophobicContact CD1-CZ 4.13Å; L100-F144 HydrophobicContact CG-CD2 4.4Å; L100-F144 HydrophobicContact CG-CE2 3.86Å; L100-M150 HydrophobicContact CD1-CG 3.99Å; L100-M150 HydrophobicContact CD2-CG 3.47Å; L100-M150 VanDerWaalsContact CD2-CG 3.47Å; L100-M150 HydrophobicContact CD2-SD 3.85Å; L100-M150 HydrophobicContact CG-CG 3.49Å; L100-M150 VanDerWaalsContact CG-CG 3.49Å; L100-M150 HydrophobicContact CG-SD 4.23Å; L100-A153 HydrophobicContact CD1-CB 3.77Å; L100-L154 HydrophobicContact CD2-CB 4.28Å; L100-L154 HydrophobicContact CD2-CD1 4.17Å; L100-V170 HydrophobicContact CB-CG1 4.22Å; L100-V170 HydrophobicContact CD1-CG1 3.76Å; L100-V170 HydrophobicContact CD2-CG1 4.31Å; L100-V170 HydrophobicContact CG-CG1 4.31Å; L100-S171 CarbonylContact C-O 3.56Å; L100-S171 WeakPolarHBondContact CA-O 3.25Å; L100-L172 HydrophobicContact CD2-CD2 4.12Å
101F94.8Very high80.7Confident63 Ų6355.7 Ų55.728%0.27632%0.318SS..EExtended strand (participates in β ladder)trans-89.6131.2162.3172.4-89.3000108.4Y139 F141 V170 S171 A173F101-Y139 HydrophobicContact CD2-CD2 4.12Å; F101-Y139 AromaticContact CE2-CD2 3.41Å; F101-Y139 HydrophobicContact CE2-CD2 3.41Å; F101-Y139 VanDerWaalsContact CE2-CD2 3.41Å; F101-Y139 HydrophobicContact CE2-CE2 4.16Å; F101-Y139 AromaticContact CE2-CG 3.67Å; F101-Y139 HydrophobicContact CE2-CG 3.67Å; F101-Y139 HydrophobicContact CZ-CD2 4.22Å; F101-Y139 HydrophobicContact CZ-CG 4.01Å; F101-F141 HydrophobicContact CB-CD1 4.46Å; F101-F141 HydrophobicContact CB-CE1 4.28Å; F101-F141 HydrophobicContact CD2-CD1 4.5Å; F101-F141 AromaticContact CD2-CE1 3.83Å; F101-F141 HydrophobicContact CD2-CE1 3.83Å; F101-F141 HydrophobicContact CD2-CZ 4.08Å; F101-V170 WeakPolarHBondContact O-CA 3.48Å; F101-S171 WeakPolarHBondContact CD1-OG 3.39Å; F101-S171 PolarHBondContact N-O 3.37Å; F101-S171 PolarHBondContact O-N 2.7Å; F101-A173 HydrophobicContact CB-CB 4.43Å
102V95Very high82.7Confident0 Ų053.7 Ų53.70%031%0.307CS..EExtended strand (participates in β ladder)trans-121.1111.7176.4-173.40000107.9L105 L114 F118 Y139 G140 V142 I168 R169V102-L105 HydrophobicContact CG1-CD2 3.79Å; V102-L105 HydrophobicContact CG1-CG 4.35Å; V102-L114 HydrophobicContact CB-CD1 4.31Å; V102-L114 HydrophobicContact CG1-CD1 4.09Å; V102-L114 HydrophobicContact CG2-CD1 4.38Å; V102-F118 HydrophobicContact CG1-CE2 4.42Å; V102-F118 HydrophobicContact CG1-CZ 4.47Å; V102-F118 HydrophobicContact CG2-CE2 3.95Å; V102-F118 HydrophobicContact CG2-CZ 3.68Å; V102-Y139 CarbonylContact O-C 3.4Å; V102-Y139 WeakPolarHBondContact O-CA 3.18Å; V102-Y139 WeakPolarHBondContact O-CB 3.5Å; V102-G140 PolarHBondContact N-O 3.27Å; V102-G140 PolarHBondContact O-N 3.38Å; V102-V142 HydrophobicContact CG2-CG2 3.83Å; V102-I168 HydrophobicContact CG1-CB 4.14Å; V102-I168 HydrophobicContact CG1-CD1 3.99Å; V102-I168 HydrophobicContact CG1-CG1 4.47Å; V102-R169 CarbonylContact C-O 3.54Å; V102-R169 WeakPolarHBondContact CA-O 3.07Å
103G94.2Very high84.8Confident5 Ų549.6 Ų49.65%0.05228%0.28CS..EExtended strand (participates in β ladder)trans-106.6176.7179.500000113.2L105 R169G103-L105 PolarHBondContact O-N 3.06Å; G103-R169 PolarHBondContact N-O 3.16Å; G103-R169 PolarHBondContact O-N 3.48Å
104E93.5Very high87Confident83 Ų8343.9 Ų43.939%0.38825%0.245SC..SBendtrans59.327.4-175.8-55.7-59.2148.600113.7G138 R169E104-G138 PolarHBondContact N-O 2.83Å; E104-G138 VanDerWaalsContact N-O 3.12Å; E104-R169 HydrophobicContact CB-CG 4.44Å; E104-R169 HydrophobicContact CG-CB 4.39Å; E104-R169 HydrophobicContact CG-CG 3.76Å
105L93.7Very high88.8Confident9 Ų942.7 Ų42.75%0.04724%0.235CC..  trans-69141.1170.9-58-179000109.3V102 G103 V109 L114 V129 G138 L163 I168V102-L105 HydrophobicContact CG1-CD2 3.79Å; V102-L105 HydrophobicContact CG1-CG 4.35Å; G103-L105 PolarHBondContact O-N 3.06Å; L105-V109 HydrophobicContact CB-CB 4.5Å; L105-V109 HydrophobicContact CD1-CG1 4.48Å; L105-V109 HydrophobicContact CD2-CG1 4.42Å; L105-L114 HydrophobicContact CD1-CD1 4.4Å; L105-L114 HydrophobicContact CD1-CD2 4.27Å; L105-L114 HydrophobicContact CD2-CD1 4.36Å; L105-V129 HydrophobicContact CD1-CG1 4.44Å; L105-V129 HydrophobicContact CD1-CG2 4.04Å; L105-G138 PolarHBondContact N-O 2.87Å; L105-G138 WeakPolarHBondContact O-CA 3.41Å; L105-L163 HydrophobicContact CD2-CB 4.08Å; L105-L163 HydrophobicContact CD2-CD1 4.03Å; L105-I168 HydrophobicContact CD2-CG2 3.79Å
106T91.9Very high90.6Very high3 Ų340.6 Ų40.62%0.01822%0.215CC..  trans-80.1167.8173.358.30000110.9D108 V109 G164 Y165 K166T106-D108 VanDerWaalsContact C-N 3.26Å; T106-D108 WeakPolarHBondContact CB-OD1 3.48Å; T106-D108 PolarHBondContact O-N 3.1Å; T106-D108 PolarHBondContact OG1-OD1 3.11Å; T106-V109 PolarHBondContact O-N 3.29Å; T106-V109 WeakPolarHBondContact OG1-CG2 3.42Å; T106-G164 WeakPolarHBondContact OG1-CA 3.26Å; T106-Y165 HydrophobicContact CG2-CD1 3.44Å; T106-Y165 VanDerWaalsContact CG2-CD1 3.44Å; T106-Y165 HydrophobicContact CG2-CD2 4.42Å; T106-Y165 HydrophobicContact CG2-CE1 3.4Å; T106-Y165 VanDerWaalsContact CG2-CE1 3.4Å; T106-Y165 HydrophobicContact CG2-CE2 4.4Å; T106-Y165 HydrophobicContact CG2-CG 3.95Å; T106-K166 HydrophobicContact CG2-CB 4.3Å; T106-K166 HydrophobicContact CG2-CG 4.21Å
107E91.1Very high91.8Very high164 Ų16435 Ų3577%0.76619%0.187SC*.THydrogen-bonded Turntrans-73.1-18.9-173.163.1-176162.800114.5
108D90.1Very high92.7Very high111 Ų11133.3 Ų33.359%0.59418%0.179SC*.THydrogen-bonded Turntrans-81.8-14.1176.257.6-55.2000113.6T106 D110T106-D108 VanDerWaalsContact C-N 3.26Å; T106-D108 WeakPolarHBondContact CB-OD1 3.48Å; T106-D108 PolarHBondContact O-N 3.1Å; T106-D108 PolarHBondContact OG1-OD1 3.11Å; D108-D110 PolarHBondContact O-N 3.04Å
109V92.5Very high93Very high6 Ų637.5 Ų37.54%0.03619%0.194CC..  trans-76.5119.3179.1178.70000110.4L105 T106 A113 L114 V129 L163L105-V109 HydrophobicContact CB-CB 4.5Å; L105-V109 HydrophobicContact CD1-CG1 4.48Å; L105-V109 HydrophobicContact CD2-CG1 4.42Å; T106-V109 PolarHBondContact O-N 3.29Å; T106-V109 WeakPolarHBondContact OG1-CG2 3.42Å; V109-A113 HydrophobicContact CG1-CB 4.14Å; V109-L114 HydrophobicContact CG1-CB 4.39Å; V109-V129 HydrophobicContact CG1-CG2 4.38Å; V109-L163 HydrophobicContact CG1-CB 4.41Å; V109-L163 HydrophobicContact CG1-CD2 4.2Å; V109-L163 HydrophobicContact CG2-CB 4.04Å; V109-L163 VanDerWaalsContact CG2-O 3.22Å; V109-L163 WeakPolarHBondContact CG2-O 2.96Å
110D91.2Very high93.1Very high31 Ų3141.3 Ų41.317%0.16621%0.206CC..  trans-100.2172.9171.865.410.9000112.8K71 D108 L112 A113 L114K71-D110 IonicContact NZ-OD2 2.76Å; K71-D110 PolarHBondContact NZ-OD2 2.81Å; D108-D110 PolarHBondContact O-N 3.04Å; D110-L112 PolarHBondContact O-N 3.14Å; D110-L112 PolarHBondContact OD1-N 2.77Å; D110-A113 PolarHBondContact O-N 2.78Å; D110-A113 WeakPolarHBondContact OD1-CB 3.4Å; D110-A113 PolarHBondContact OD1-N 3.13Å; D110-L114 PolarHBondContact O-N 2.8Å
111D92.7Very high93.1Very high8 Ų841.9 Ų41.94%0.04321%0.208CC..Hα-helixtrans-58.9-31.5-178.3-57.9-8.3000111.3L66 F115 V129L66-D111 HydrophobicContact CB-CB 4.15Å; L66-D111 HydrophobicContact CD2-CB 3.91Å; L66-D111 WeakPolarHBondContact O-CB 3.38Å; D111-F115 VanDerWaalsContact O-CB 3.27Å; D111-F115 WeakPolarHBondContact O-CB 3.4Å; D111-F115 PolarHBondContact O-N 2.81Å; D111-V129 WeakPolarHBondContact OD1-CA 3.44Å; D111-V129 VanDerWaalsContact OD1-CB 3.22Å; D111-V129 WeakPolarHBondContact OD1-CB 3.47Å; D111-V129 PolarHBondContact OD1-N 3.11Å
112L93.3Very high92.9Very high26 Ų2644.3 Ų44.314%0.13623%0.231CC..Hα-helixtrans-70.9-45.8179179.960.4000111.5D63 L66 K67 D110 L114 F115 N116D63-L112 HydrophobicContact CB-CD1 4.1Å; D63-L112 HydrophobicContact CB-CD2 4.49Å; L66-L112 HydrophobicContact CB-CB 3.87Å; L66-L112 HydrophobicContact CB-CD1 4.27Å; L66-L112 HydrophobicContact CD1-CD1 4.21Å; K67-L112 HydrophobicContact CB-CB 4.36Å; K67-L112 HydrophobicContact CB-CD2 3.91Å; K67-L112 HydrophobicContact CD-CD2 4.41Å; K67-L112 HydrophobicContact CG-CD2 4.45Å; D110-L112 PolarHBondContact O-N 3.14Å; D110-L112 PolarHBondContact OD1-N 2.77Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L112-F115 PolarHBondContact O-N 3.3Å; L112-N116 WeakPolarHBondContact O-CB 3.3Å; L112-N116 PolarHBondContact O-N 3.11Å; L112-N116 PolarHBondContact O-ND2 3.09Å
113A93.7Very high92.6Very high33 Ų3345.4 Ų45.427%0.27324%0.237SC..Hα-helixtrans-58.7-47.8174.600000110.9V109 D110 F115 N116 A117 L163V109-A113 HydrophobicContact CG1-CB 4.14Å; D110-A113 PolarHBondContact O-N 2.78Å; D110-A113 WeakPolarHBondContact OD1-CB 3.4Å; D110-A113 PolarHBondContact OD1-N 3.13Å; A113-F115 PolarHBondContact O-N 2.78Å; A113-N116 PolarHBondContact O-N 3.44Å; A113-A117 PolarHBondContact O-N 3.05Å; A113-A117 VanDerWaalsContact O-N 3.12Å; A113-L163 HydrophobicContact CB-CD2 4.23Å; A113-L163 WeakPolarHBondContact O-CD2 3.42Å
114L95Very high92.5Very high0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-60-46.8176.6-177.462.9000111.5V102 L105 V109 D110 L112 N116 A117 F118 A127 V129 V142 L163V102-L114 HydrophobicContact CB-CD1 4.31Å; V102-L114 HydrophobicContact CG1-CD1 4.09Å; V102-L114 HydrophobicContact CG2-CD1 4.38Å; L105-L114 HydrophobicContact CD1-CD1 4.4Å; L105-L114 HydrophobicContact CD1-CD2 4.27Å; L105-L114 HydrophobicContact CD2-CD1 4.36Å; V109-L114 HydrophobicContact CG1-CB 4.39Å; D110-L114 PolarHBondContact O-N 2.8Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L114-N116 VanDerWaalsContact C-N 3.32Å; L114-N116 PolarHBondContact O-N 2.92Å; L114-A117 PolarHBondContact O-N 3.29Å; L114-F118 HydrophobicContact CD1-CD2 3.96Å; L114-F118 HydrophobicContact CD1-CE2 3.7Å; L114-F118 WeakPolarHBondContact O-CD2 3.45Å; L114-F118 PolarHBondContact O-N 3.21Å; L114-A127 HydrophobicContact CB-CB 4.26Å; L114-A127 HydrophobicContact CD2-CB 4.01Å; L114-A127 HydrophobicContact CG-CB 3.87Å; L114-V129 HydrophobicContact CB-CG2 4.2Å; L114-V129 HydrophobicContact CD2-CG2 3.9Å; L114-V142 HydrophobicContact CD1-CG2 4.16Å; L114-V142 HydrophobicContact CD2-CG2 4.12Å; L114-V142 HydrophobicContact CG-CG2 4.04Å; L114-L163 HydrophobicContact CD1-CD1 3.54Å
115F94.2Very high92.1Very high17 Ų1745.1 Ų45.18%0.07523%0.233CC..Hα-helixtrans-60-42.7176.7-174.9-103.5000111.9L66 D111 L112 A113 A117 F118 K119 A127L66-F115 HydrophobicContact CD1-CB 3.71Å; L66-F115 HydrophobicContact CD1-CD1 3.81Å; L66-F115 HydrophobicContact CD1-CD2 4.29Å; L66-F115 HydrophobicContact CD1-CG 3.66Å; D111-F115 VanDerWaalsContact O-CB 3.27Å; D111-F115 WeakPolarHBondContact O-CB 3.4Å; D111-F115 PolarHBondContact O-N 2.81Å; L112-F115 PolarHBondContact O-N 3.3Å; A113-F115 PolarHBondContact O-N 2.78Å; F115-A117 VanDerWaalsContact C-N 3.29Å; F115-A117 PolarHBondContact O-N 3.11Å; F115-F118 CarbonylContact O-C 3.43Å; F115-F118 PolarHBondContact O-N 3.48Å; F115-F118 VanDerWaalsContact O-N 3.15Å; F115-K119 HydrophobicContact CD1-CB 4.49Å; F115-K119 HydrophobicContact CE1-CB 4.21Å; F115-K119 WeakPolarHBondContact O-CB 3.21Å; F115-K119 PolarHBondContact O-N 3.44Å; F115-A127 HydrophobicContact CB-CB 3.84Å; F115-A127 HydrophobicContact CD2-CB 4.17Å
116N93.7Very high91.8Very high62 Ų6246.2 Ų46.233%0.33224%0.241SC..Hα-helixtrans-63.7-30.5-180-82.5-36.2000113.7L112 A113 L114 K119L112-N116 WeakPolarHBondContact O-CB 3.3Å; L112-N116 PolarHBondContact O-N 3.11Å; L112-N116 PolarHBondContact O-ND2 3.09Å; A113-N116 PolarHBondContact O-N 3.44Å; L114-N116 VanDerWaalsContact C-N 3.32Å; L114-N116 PolarHBondContact O-N 2.92Å; N116-K119 WeakPolarHBondContact O-CG 3.42Å; N116-K119 WeakPolarHBondContact OD1-CD 3.4Å; N116-K119 WeakPolarHBondContact OD1-CE 3.45Å; N116-K119 PolarHBondContact OD1-NZ 2.99Å
117A93.8Very high91.8Very high14 Ų1446.2 Ų46.212%0.11624%0.241CC..Hα-helixtrans-71.5-35.3174.400000112.5A113 L114 F115 M157 Y160 L163A113-A117 PolarHBondContact O-N 3.05Å; A113-A117 VanDerWaalsContact O-N 3.12Å; L114-A117 PolarHBondContact O-N 3.29Å; F115-A117 VanDerWaalsContact C-N 3.29Å; F115-A117 PolarHBondContact O-N 3.11Å; A117-M157 HydrophobicContact CB-CE 4.04Å; A117-Y160 HydrophobicContact CB-CE1 4.29Å; A117-L163 HydrophobicContact CB-CD1 3.87Å; A117-L163 HydrophobicContact CB-CD2 3.85Å; A117-L163 HydrophobicContact CB-CG 4Å
118F94.1Very high91.8Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-96.8-8.3-177.4-73.1-93.2000114.2L100 V102 L114 F115 K120 Y121 V142 F144 A153 M157 L163 I168 V170L100-F118 HydrophobicContact CD1-CE1 4.35Å; V102-F118 HydrophobicContact CG1-CE2 4.42Å; V102-F118 HydrophobicContact CG1-CZ 4.47Å; V102-F118 HydrophobicContact CG2-CE2 3.95Å; V102-F118 HydrophobicContact CG2-CZ 3.68Å; L114-F118 HydrophobicContact CD1-CD2 3.96Å; L114-F118 HydrophobicContact CD1-CE2 3.7Å; L114-F118 WeakPolarHBondContact O-CD2 3.45Å; L114-F118 PolarHBondContact O-N 3.21Å; F115-F118 CarbonylContact O-C 3.43Å; F115-F118 PolarHBondContact O-N 3.48Å; F115-F118 VanDerWaalsContact O-N 3.15Å; F118-K120 PolarHBondContact O-N 2.95Å; F118-Y121 HydrophobicContact CB-CD2 4.38Å; F118-Y121 HydrophobicContact CD1-CD2 4.13Å; F118-Y121 AromaticContact CD1-CE2 3.92Å; F118-Y121 HydrophobicContact CD1-CE2 3.92Å; F118-Y121 WeakPolarHBondContact O-CD2 3.23Å; F118-Y121 PolarHBondContact O-N 3.5Å; F118-Y121 VanDerWaalsContact O-N 3.1Å; F118-V142 HydrophobicContact CB-CG1 3.9Å; F118-V142 HydrophobicContact CD1-CG1 4.2Å; F118-V142 HydrophobicContact CD1-CG2 4.45Å; F118-V142 HydrophobicContact CD2-CG2 3.84Å; F118-V142 HydrophobicContact CE2-CG2 4.03Å; F118-V142 HydrophobicContact CG-CG1 3.98Å; F118-V142 HydrophobicContact CG-CG2 4.06Å; F118-V142 HydrophobicContact CZ-CG2 4.39Å; F118-F144 AromaticContact CD1-CZ 3.88Å; F118-F144 HydrophobicContact CD1-CZ 3.88Å; F118-A153 HydrophobicContact CD1-CB 4.2Å; F118-A153 HydrophobicContact CE1-CB 4.21Å; F118-M157 HydrophobicContact CD1-CG 4.14Å; F118-M157 HydrophobicContact CD2-CE 4.35Å; F118-M157 HydrophobicContact CE1-CB 3.96Å; F118-M157 HydrophobicContact CE1-CE 4.37Å; F118-M157 HydrophobicContact CE1-CG 3.63Å; F118-M157 HydrophobicContact CE2-CE 4.03Å; F118-M157 HydrophobicContact CZ-CB 4.02Å; F118-M157 HydrophobicContact CZ-CE 4.05Å; F118-M157 HydrophobicContact CZ-CG 4.03Å; F118-L163 HydrophobicContact CE2-CD1 4.38Å; F118-I168 HydrophobicContact CE2-CD1 4.37Å; F118-I168 HydrophobicContact CZ-CD1 4.29Å; F118-V170 HydrophobicContact CZ-CG2 4.29Å
119K91.7Very high92Very high119 Ų11938.8 Ų38.852%0.51720%0.201SC..THydrogen-bonded Turntrans-64-13179.476.9-176.6169.3-172.80114.3F115 N116 Y121F115-K119 HydrophobicContact CD1-CB 4.49Å; F115-K119 HydrophobicContact CE1-CB 4.21Å; F115-K119 WeakPolarHBondContact O-CB 3.21Å; F115-K119 PolarHBondContact O-N 3.44Å; N116-K119 WeakPolarHBondContact O-CG 3.42Å; N116-K119 WeakPolarHBondContact OD1-CD 3.4Å; N116-K119 WeakPolarHBondContact OD1-CE 3.45Å; N116-K119 PolarHBondContact OD1-NZ 2.99Å; K119-Y121 PolarHBondContact O-N 3.05Å
120K92.2Very high92Very high114 Ų11440 Ų4050%0.49621%0.209SC..THydrogen-bonded Turntrans-61-23.1172.563.4169.3172.5149.20112.3F118 E156 M157F118-K120 PolarHBondContact O-N 2.95Å; K120-E156 IonicContact NZ-OE2 2.83Å; K120-E156 PolarHBondContact NZ-OE2 3.37Å; K120-M157 WeakPolarHBondContact CE-SD 3.37Å
121Y93.7Very high91.8Very high11 Ų1141.5 Ų41.54%0.04322%0.215CC..SBendtrans-87.8120.8174.2-54.4-67.7000110.2F118 K119 T123 C124 F144 K152 A153 E156 M157F118-Y121 HydrophobicContact CB-CD2 4.38Å; F118-Y121 HydrophobicContact CD1-CD2 4.13Å; F118-Y121 AromaticContact CD1-CE2 3.92Å; F118-Y121 HydrophobicContact CD1-CE2 3.92Å; F118-Y121 WeakPolarHBondContact O-CD2 3.23Å; F118-Y121 PolarHBondContact O-N 3.5Å; F118-Y121 VanDerWaalsContact O-N 3.1Å; K119-Y121 PolarHBondContact O-N 3.05Å; Y121-T123 PolarHBondContact O-N 2.87Å; Y121-T123 VanDerWaalsContact O-N 3.09Å; Y121-C124 WeakPolarHBondContact O-CB 3.43Å; Y121-C124 PolarHBondContact O-N 3.42Å; Y121-C124 VanDerWaalsContact O-N 3.11Å; Y121-F144 AromaticContact CD2-CE1 3.93Å; Y121-F144 HydrophobicContact CD2-CE1 3.93Å; Y121-F144 HydrophobicContact CD2-CZ 4.29Å; Y121-F144 HydrophobicContact CG-CE1 4.06Å; Y121-K152 HydrophobicContact CE1-CB 4.23Å; Y121-A153 HydrophobicContact CD1-CB 4.39Å; Y121-A153 HydrophobicContact CD2-CB 3.73Å; Y121-A153 HydrophobicContact CE1-CB 4.08Å; Y121-A153 HydrophobicContact CE2-CB 3.35Å; Y121-A153 HydrophobicContact CG-CB 4.24Å; Y121-A153 VanDerWaalsContact CZ-CA 3.44Å; Y121-A153 WeakPolarHBondContact OH-CA 3.4Å; Y121-E156 WeakPolarHBondContact OH-CB 3.13Å; Y121-E156 PolarHBondContact OH-OE2 3.35Å; Y121-M157 HydrophobicContact CE2-CG 3.97Å; Y121-M157 HydrophobicContact CE2-SD 4.42Å; Y121-M157 WeakPolarHBondContact OH-CG 3.49Å
122P89.3Confident91.5Very high115 Ų11544.4 Ų44.475%0.74723%0.234SC*.THydrogen-bonded Turntrans-58.2-28-173.6-27.135000114.8
123T89.8Confident91.1Very high22 Ų2249.9 Ų49.914%0.13526%0.263CS..THydrogen-bonded Turntrans-95.44.2-177.264.60000114.8Y121 R125 F144 L145 T146 D149Y121-T123 PolarHBondContact O-N 2.87Å; Y121-T123 VanDerWaalsContact O-N 3.09Å; T123-R125 PolarHBondContact O-N 3.37Å; T123-R125 VanDerWaalsContact O-N 3.11Å; T123-F144 CarbonylContact O-C 3.55Å; T123-F144 WeakPolarHBondContact O-CA 3.4Å; T123-L145 HydrophobicContact CG2-CB 4.3Å; T123-L145 HydrophobicContact CG2-CD1 4.5Å; T123-L145 WeakPolarHBondContact O-CD1 3.32Å; T123-L145 PolarHBondContact O-N 3.29Å; T123-T146 HydrophobicContact CG2-CG2 3.91Å; T123-T146 WeakPolarHBondContact CG2-OG1 3.22Å; T123-T146 PolarHBondContact OG1-OG1 3.15Å; T123-D149 VanDerWaalsContact CB-OD2 3.26Å; T123-D149 WeakPolarHBondContact CB-OD2 3.26Å; T123-D149 WeakPolarHBondContact CG2-OD2 3.31Å; T123-D149 PolarHBondContact N-OD2 3Å; T123-D149 VanDerWaalsContact N-OD2 3.13Å; T123-D149 WeakPolarHBondContact OG1-CB 3.38Å; T123-D149 VanDerWaalsContact OG1-CG 3.26Å; T123-D149 PolarHBondContact OG1-OD2 3.17Å
124C90.8Very high90.5Very high12 Ų1250 Ų508%0.08127%0.268CS..EExtended strand (participates in β ladder)trans-59.8113.8172.6-176.80000110.2Y121 F144Y121-C124 WeakPolarHBondContact O-CB 3.43Å; Y121-C124 PolarHBondContact O-N 3.42Å; Y121-C124 VanDerWaalsContact O-N 3.11Å; C124-F144 HydrophobicContact CB-CD1 4.25Å; C124-F144 HydrophobicContact CB-CE1 3.99Å
125R85.6Confident90.1Very high71 Ų7157.9 Ų57.927%0.26830%0.302SS..EExtended strand (participates in β ladder)trans-98.8-42.7-173179.7164173.598.2-3.6112.4E97 T123 R143E97-R125 VanDerWaalsContact OE1-CD 3.24Å; E97-R125 WeakPolarHBondContact OE1-CD 3.37Å; E97-R125 IonicContact OE1-CZ 3.53Å; E97-R125 IonicContact OE1-NE 2.77Å; E97-R125 PolarHBondContact OE1-NE 2.91Å; E97-R125 IonicContact OE1-NH2 3.77Å; T123-R125 PolarHBondContact O-N 3.37Å; T123-R125 VanDerWaalsContact O-N 3.11Å; R125-R143 PolarHBondContact N-O 3.12Å
126S86.8Confident89.9Confident31 Ų3158.3 Ų58.322%0.21731%0.307CS..EExtended strand (participates in β ladder)trans-155.7146.8-179.568.50000110.9V142 R143S126-V142 CarbonylContact O-C 3.6Å; S126-V142 WeakPolarHBondContact O-CA 3.38Å; S126-R143 PolarHBondContact O-N 2.84Å; S126-R143 WeakPolarHBondContact OG-CD 3.21Å; S126-R143 WeakPolarHBondContact OG-CG 3.45Å
127A92.5Very high89.8Confident3 Ų362.2 Ų62.23%0.02532%0.317CS..EExtended strand (participates in β ladder)trans-123.3144.1165.600000109.3L114 F115 F141 V142L114-A127 HydrophobicContact CB-CB 4.26Å; L114-A127 HydrophobicContact CD2-CB 4.01Å; L114-A127 HydrophobicContact CG-CB 3.87Å; F115-A127 HydrophobicContact CB-CB 3.84Å; F115-A127 HydrophobicContact CD2-CB 4.17Å; A127-F141 CarbonylContact C-O 3.51Å; A127-F141 WeakPolarHBondContact CA-O 3.43Å; A127-V142 HydrophobicContact CB-CG2 4.17Å
128K92.2Very high89.8Confident117 Ų11762.5 Ų62.551%0.50932%0.321SS..EExtended strand (participates in β ladder)trans-145.9119.9178.5-178169.8-175.2171.60110.7G140 F141K128-G140 CarbonylContact O-C 3.55Å; K128-G140 WeakPolarHBondContact O-CA 3.43Å; K128-F141 PolarHBondContact N-O 3.36Å; K128-F141 PolarHBondContact O-N 3.17Å
129V93.4Very high89.8Confident3 Ų364.5 Ų64.52%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-79.3135.7168.1-178.80000108.3L105 V109 D111 L114 M131 S136L105-V129 HydrophobicContact CD1-CG1 4.44Å; L105-V129 HydrophobicContact CD1-CG2 4.04Å; V109-V129 HydrophobicContact CG1-CG2 4.38Å; D111-V129 WeakPolarHBondContact OD1-CA 3.44Å; D111-V129 VanDerWaalsContact OD1-CB 3.22Å; D111-V129 WeakPolarHBondContact OD1-CB 3.47Å; D111-V129 PolarHBondContact OD1-N 3.11Å; L114-V129 HydrophobicContact CB-CG2 4.2Å; L114-V129 HydrophobicContact CD2-CG2 3.9Å; V129-M131 HydrophobicContact CB-CE 4.19Å; V129-M131 HydrophobicContact CG1-CE 4.29Å; V129-M131 HydrophobicContact CG1-CG 4.36Å; V129-M131 PolarHBondContact O-N 3.13Å; V129-S136 WeakPolarHBondContact CG1-OG 3.29Å
130V91.7Very high89.9Confident31 Ų3158.9 Ų58.919%0.18831%0.305CS..EExtended strand (participates in β ladder)trans-82.8117.1176.4-173.20000108.6R137 Y139 F141V130-R137 HydrophobicContact CG1-CG 4.23Å; V130-R137 WeakPolarHBondContact O-CB 3.47Å; V130-R137 WeakPolarHBondContact O-CG 2.84Å; V130-R137 PolarHBondContact O-N 3.09Å; V130-Y139 HydrophobicContact CB-CD2 4.15Å; V130-Y139 HydrophobicContact CB-CE1 4.44Å; V130-Y139 HydrophobicContact CB-CE2 3.69Å; V130-Y139 HydrophobicContact CG1-CE2 4.19Å; V130-Y139 HydrophobicContact CG2-CD2 3.79Å; V130-Y139 HydrophobicContact CG2-CE2 3.33Å; V130-Y139 PolarHBondContact N-O 3.5Å; V130-F141 HydrophobicContact CG2-CD2 3.89Å; V130-F141 HydrophobicContact CG2-CE2 3.67Å
131M87.6Confident90Very high62 Ų6256.6 Ų56.631%0.30530%0.295SS..EExtended strand (participates in β ladder)trans-114.4138.5177.9-57.9-174.6-175.900110.8V129 K135V129-M131 HydrophobicContact CB-CE 4.19Å; V129-M131 HydrophobicContact CG1-CE 4.29Å; V129-M131 HydrophobicContact CG1-CG 4.36Å; V129-M131 PolarHBondContact O-N 3.13Å; M131-K135 CarbonylContact C-O 3.53Å; M131-K135 VanDerWaalsContact CA-O 3.29Å; M131-K135 WeakPolarHBondContact CA-O 2.91Å
132T87.4Confident90Very high70 Ų7056 Ų5643%0.42929%0.293SS..EExtended strand (participates in β ladder)trans-114.5117.2171.3-62.20000108G134 K135 R137T132-G134 PolarHBondContact O-N 2.89Å; T132-K135 PolarHBondContact N-O 3.49Å; T132-K135 PolarHBondContact O-N 2.93Å; T132-K135 VanDerWaalsContact O-N 3.07Å; T132-R137 VanDerWaalsContact OG1-CD 3.27Å; T132-R137 WeakPolarHBondContact OG1-CD 3.44Å; T132-R137 WeakPolarHBondContact OG1-CG 3.22Å
133N84.1Confident90.1Very high140 Ų14055.7 Ų55.775%0.74928%0.277SS*.THydrogen-bonded Turntrans48.435.4-176.6-59.5-27.3000112.1R80 K135R80-N133 VanDerWaalsContact CZ-C 3.49Å; R80-N133 PolarHBondContact NH1-O 3.45Å; R80-N133 VanDerWaalsContact NH2-C 3.29Å; R80-N133 PolarHBondContact NH2-O 3.04Å; N133-K135 PolarHBondContact O-N 3.39Å
134G80.9Confident90.1Very high37 Ų3754.7 Ų54.738%0.38127%0.27SS..THydrogen-bonded Turntrans80.44.3171.100000114.1T132T132-G134 PolarHBondContact O-N 2.89Å
135K87Confident90Very high165 Ų16557.8 Ų57.872%0.71729%0.286SS*.EExtended strand (participates in β ladder)trans-94.5131.8164.6-61.4-170.2176.3-169.60107.7M131 T132 N133M131-K135 CarbonylContact C-O 3.53Å; M131-K135 VanDerWaalsContact CA-O 3.29Å; M131-K135 WeakPolarHBondContact CA-O 2.91Å; T132-K135 PolarHBondContact N-O 3.49Å; T132-K135 PolarHBondContact O-N 2.93Å; T132-K135 VanDerWaalsContact O-N 3.07Å; N133-K135 PolarHBondContact O-N 3.39Å
136S90.1Very high90.1Very high25 Ų2557.2 Ų57.218%0.17529%0.29CS..EExtended strand (participates in β ladder)trans-59.2139.5172.2-178.30000109.6V129 G138V129-S136 WeakPolarHBondContact CG1-OG 3.29Å; S136-G138 PolarHBondContact OG-N 3.22Å; S136-G138 VanDerWaalsContact OG-N 3.15Å
137R92.3Very high90.2Very high144 Ų14461.5 Ų61.554%0.54331%0.307SS..EExtended strand (participates in β ladder)trans-85.12.4170.6-62.6-17272.9174-3.7112.7V130 T132 Y139V130-R137 HydrophobicContact CG1-CG 4.23Å; V130-R137 WeakPolarHBondContact O-CB 3.47Å; V130-R137 WeakPolarHBondContact O-CG 2.84Å; V130-R137 PolarHBondContact O-N 3.09Å; T132-R137 VanDerWaalsContact OG1-CD 3.27Å; T132-R137 WeakPolarHBondContact OG1-CD 3.44Å; T132-R137 WeakPolarHBondContact OG1-CG 3.22Å; R137-Y139 VanDerWaalsContact C-N 3.33Å; R137-Y139 HydrophobicContact CB-CD1 3.78Å; R137-Y139 HydrophobicContact CB-CE1 3.48Å; R137-Y139 VanDerWaalsContact CB-CE1 3.48Å; R137-Y139 HydrophobicContact CG-CE1 4.36Å; R137-Y139 PolarHBondContact NH1-OH 3.48Å; R137-Y139 VanDerWaalsContact NH1-OH 3.16Å; R137-Y139 WeakPolarHBondContact O-CD1 3.43Å
138G92.3Very high90.1Very high20 Ų2064.7 Ų64.721%0.20633%0.329CS..EExtended strand (participates in β ladder)trans76.417.5-17900000114.7E104 L105 S136E104-G138 PolarHBondContact N-O 2.83Å; E104-G138 VanDerWaalsContact N-O 3.12Å; L105-G138 PolarHBondContact N-O 2.87Å; L105-G138 WeakPolarHBondContact O-CA 3.41Å; S136-G138 PolarHBondContact OG-N 3.22Å; S136-G138 VanDerWaalsContact OG-N 3.15Å
139Y94.3Very high90.1Very high43 Ų4360 Ų6017%0.16931%0.31CS..EExtended strand (participates in β ladder)trans-150.3160.9173.470.2-89.5000112.1F101 V102 V130 R137 F141F101-Y139 HydrophobicContact CD2-CD2 4.12Å; F101-Y139 AromaticContact CE2-CD2 3.41Å; F101-Y139 HydrophobicContact CE2-CD2 3.41Å; F101-Y139 VanDerWaalsContact CE2-CD2 3.41Å; F101-Y139 HydrophobicContact CE2-CE2 4.16Å; F101-Y139 AromaticContact CE2-CG 3.67Å; F101-Y139 HydrophobicContact CE2-CG 3.67Å; F101-Y139 HydrophobicContact CZ-CD2 4.22Å; F101-Y139 HydrophobicContact CZ-CG 4.01Å; V102-Y139 CarbonylContact O-C 3.4Å; V102-Y139 WeakPolarHBondContact O-CA 3.18Å; V102-Y139 WeakPolarHBondContact O-CB 3.5Å; V130-Y139 HydrophobicContact CB-CD2 4.15Å; V130-Y139 HydrophobicContact CB-CE1 4.44Å; V130-Y139 HydrophobicContact CB-CE2 3.69Å; V130-Y139 HydrophobicContact CG1-CE2 4.19Å; V130-Y139 HydrophobicContact CG2-CD2 3.79Å; V130-Y139 HydrophobicContact CG2-CE2 3.33Å; V130-Y139 PolarHBondContact N-O 3.5Å; R137-Y139 VanDerWaalsContact C-N 3.33Å; R137-Y139 HydrophobicContact CB-CD1 3.78Å; R137-Y139 HydrophobicContact CB-CE1 3.48Å; R137-Y139 VanDerWaalsContact CB-CE1 3.48Å; R137-Y139 HydrophobicContact CG-CE1 4.36Å; R137-Y139 PolarHBondContact NH1-OH 3.48Å; R137-Y139 VanDerWaalsContact NH1-OH 3.16Å; R137-Y139 WeakPolarHBondContact O-CD1 3.43Å; Y139-F141 HydrophobicContact CD2-CE2 4.15Å; Y139-F141 HydrophobicContact CD2-CZ 4.41Å; Y139-F141 AromaticContact CE2-CE2 3.83Å; Y139-F141 HydrophobicContact CE2-CE2 3.83Å; Y139-F141 HydrophobicContact CE2-CZ 4.13Å
140G93.8Very high90.1Very high0 Ų060.3 Ų60.30%031%0.311CS..EExtended strand (participates in β ladder)trans-149.1178.7179.200000112.6V102 K128V102-G140 PolarHBondContact N-O 3.27Å; V102-G140 PolarHBondContact O-N 3.38Å; K128-G140 CarbonylContact O-C 3.55Å; K128-G140 WeakPolarHBondContact O-CA 3.43Å
141F94.2Very high90Very high66 Ų6661.2 Ų61.229%0.28932%0.315SS..EExtended strand (participates in β ladder)trans-127.4137.6177.3-62.5-83.5000110.2L100 F101 A127 K128 V130 Y139 A173L100-F141 CarbonylContact O-C 3.53Å; L100-F141 VanDerWaalsContact O-CA 3.23Å; L100-F141 WeakPolarHBondContact O-CA 3.47Å; F101-F141 HydrophobicContact CB-CD1 4.46Å; F101-F141 HydrophobicContact CB-CE1 4.28Å; F101-F141 HydrophobicContact CD2-CD1 4.5Å; F101-F141 AromaticContact CD2-CE1 3.83Å; F101-F141 HydrophobicContact CD2-CE1 3.83Å; F101-F141 HydrophobicContact CD2-CZ 4.08Å; A127-F141 CarbonylContact C-O 3.51Å; A127-F141 WeakPolarHBondContact CA-O 3.43Å; K128-F141 PolarHBondContact N-O 3.36Å; K128-F141 PolarHBondContact O-N 3.17Å; V130-F141 HydrophobicContact CG2-CD2 3.89Å; V130-F141 HydrophobicContact CG2-CE2 3.67Å; Y139-F141 HydrophobicContact CD2-CE2 4.15Å; Y139-F141 HydrophobicContact CD2-CZ 4.41Å; Y139-F141 AromaticContact CE2-CE2 3.83Å; Y139-F141 HydrophobicContact CE2-CE2 3.83Å; Y139-F141 HydrophobicContact CE2-CZ 4.13Å; F141-A173 HydrophobicContact CD1-CB 3.94Å; F141-A173 HydrophobicContact CE1-CB 4.13Å
142V93.7Very high90.3Very high0 Ų063 Ų630%032%0.321CS..EExtended strand (participates in β ladder)trans-120.1130.1174.9-174.40000108.3S99 L100 V102 L114 F118 S126 A127 F144S99-V142 CarbonylContact C-O 3.42Å; S99-V142 WeakPolarHBondContact CA-O 3.37Å; L100-V142 PolarHBondContact N-O 3.31Å; L100-V142 PolarHBondContact O-N 3.49Å; V102-V142 HydrophobicContact CG2-CG2 3.83Å; L114-V142 HydrophobicContact CD1-CG2 4.16Å; L114-V142 HydrophobicContact CD2-CG2 4.12Å; L114-V142 HydrophobicContact CG-CG2 4.04Å; F118-V142 HydrophobicContact CB-CG1 3.9Å; F118-V142 HydrophobicContact CD1-CG1 4.2Å; F118-V142 HydrophobicContact CD1-CG2 4.45Å; F118-V142 HydrophobicContact CD2-CG2 3.84Å; F118-V142 HydrophobicContact CE2-CG2 4.03Å; F118-V142 HydrophobicContact CG-CG1 3.98Å; F118-V142 HydrophobicContact CG-CG2 4.06Å; F118-V142 HydrophobicContact CZ-CG2 4.39Å; S126-V142 CarbonylContact O-C 3.6Å; S126-V142 WeakPolarHBondContact O-CA 3.38Å; A127-V142 HydrophobicContact CB-CG2 4.17Å; V142-F144 HydrophobicContact CB-CE2 4.02Å; V142-F144 HydrophobicContact CB-CZ 4.41Å; V142-F144 HydrophobicContact CG1-CD2 4.41Å; V142-F144 HydrophobicContact CG1-CE1 4.43Å; V142-F144 HydrophobicContact CG1-CE2 3.56Å; V142-F144 HydrophobicContact CG1-CZ 3.58Å
143R91Very high90.6Very high108 Ų10859.7 Ų59.741%0.40830%0.301SS..EExtended strand (participates in β ladder)trans-106.7139.7-179.1-59-167.5-178.71800.9111.1E97 C98 R125 S126E97-R143 VanDerWaalsContact OE2-CD 3.31Å; E97-R143 WeakPolarHBondContact OE2-CD 3.25Å; E97-R143 IonicContact OE2-CZ 2.81Å; E97-R143 IonicContact OE2-NH1 2.68Å; E97-R143 PolarHBondContact OE2-NH1 2.67Å; E97-R143 VanDerWaalsContact OE2-NH1 3.11Å; C98-R143 WeakPolarHBondContact O-CA 3.45Å; R125-R143 PolarHBondContact N-O 3.12Å; S126-R143 PolarHBondContact O-N 2.84Å; S126-R143 WeakPolarHBondContact OG-CD 3.21Å; S126-R143 WeakPolarHBondContact OG-CG 3.45Å
144F90.8Very high91Very high0 Ų054 Ų540%027%0.27CS..EExtended strand (participates in β ladder)trans-122.3151.2176.7-61-90.7000110.1C98 L100 F118 Y121 T123 C124 V142 D149 M150 A153C98-F144 PolarHBondContact N-O 3.29Å; C98-F144 VanDerWaalsContact N-O 3.13Å; C98-F144 PolarHBondContact O-N 3.34Å; L100-F144 HydrophobicContact CB-CE2 4.39Å; L100-F144 HydrophobicContact CD1-CD2 4.44Å; L100-F144 HydrophobicContact CD1-CE2 3.57Å; L100-F144 HydrophobicContact CD1-CZ 4.13Å; L100-F144 HydrophobicContact CG-CD2 4.4Å; L100-F144 HydrophobicContact CG-CE2 3.86Å; F118-F144 AromaticContact CD1-CZ 3.88Å; F118-F144 HydrophobicContact CD1-CZ 3.88Å; Y121-F144 AromaticContact CD2-CE1 3.93Å; Y121-F144 HydrophobicContact CD2-CE1 3.93Å; Y121-F144 HydrophobicContact CD2-CZ 4.29Å; Y121-F144 HydrophobicContact CG-CE1 4.06Å; T123-F144 CarbonylContact O-C 3.55Å; T123-F144 WeakPolarHBondContact O-CA 3.4Å; C124-F144 HydrophobicContact CB-CD1 4.25Å; C124-F144 HydrophobicContact CB-CE1 3.99Å; V142-F144 HydrophobicContact CB-CE2 4.02Å; V142-F144 HydrophobicContact CB-CZ 4.41Å; V142-F144 HydrophobicContact CG1-CD2 4.41Å; V142-F144 HydrophobicContact CG1-CE1 4.43Å; V142-F144 HydrophobicContact CG1-CE2 3.56Å; V142-F144 HydrophobicContact CG1-CZ 3.58Å; F144-D149 HydrophobicContact CD1-CB 4.21Å; F144-M150 HydrophobicContact CB-CB 4.18Å; F144-M150 HydrophobicContact CD2-CB 3.89Å; F144-M150 HydrophobicContact CD2-CG 3.84Å; F144-M150 HydrophobicContact CE2-CG 4.32Å; F144-M150 HydrophobicContact CG-CB 4.07Å; F144-A153 HydrophobicContact CE1-CB 4.24Å; F144-A153 HydrophobicContact CE2-CB 4.43Å; F144-A153 HydrophobicContact CZ-CB 3.77Å
145L88.2Confident91.4Very high78 Ų7856.7 Ų56.741%0.40828%0.275SS..SBendtrans-77.5-25.3171.4-65.6127.3000112.7T123T123-L145 HydrophobicContact CG2-CB 4.3Å; T123-L145 HydrophobicContact CG2-CD1 4.5Å; T123-L145 WeakPolarHBondContact O-CD1 3.32Å; T123-L145 PolarHBondContact O-N 3.29Å
146T87.7Confident91.7Very high58 Ų5854.2 Ų54.236%0.35627%0.266SS..  trans-130.9144-17561.60000110.6T123 M150T123-T146 HydrophobicContact CG2-CG2 3.91Å; T123-T146 WeakPolarHBondContact CG2-OG1 3.22Å; T123-T146 PolarHBondContact OG1-OG1 3.15Å; T146-M150 PolarHBondContact O-N 2.81Å
147E89.1Confident91.9Very high121 Ų12153.1 Ų53.157%0.56526%0.258SS*.Hα-helixtrans-64.1-38.6175.5-167.7169.3-159.200112.4D149 M150 D151E147-D149 PolarHBondContact O-N 3.41Å; E147-M150 HydrophobicContact CG-CE 3.98Å; E147-M150 CarbonylContact O-C 3.53Å; E147-M150 WeakPolarHBondContact O-CA 3.43Å; E147-M150 VanDerWaalsContact O-CB 3.24Å; E147-M150 WeakPolarHBondContact O-CB 3.27Å; E147-M150 PolarHBondContact O-N 3.33Å; E147-D151 PolarHBondContact O-N 3.01Å
148S90.9Very high91.8Very high71 Ų7148.5 Ų48.550%0.49724%0.242SC..Hα-helixtrans-56.6-43.9-178.7-176.50000114K152S148-K152 VanDerWaalsContact O-CG 3.3Å; S148-K152 WeakPolarHBondContact O-CG 3.35Å; S148-K152 PolarHBondContact O-N 3.38Å; S148-K152 VanDerWaalsContact O-N 3.14Å
149D92.1Very high91.6Very high18 Ų1852.4 Ų52.410%0.09626%0.258CS..Hα-helixtrans-72.6-31.6175.6-82-6.6000112.2T123 F144 E147 A153T123-D149 VanDerWaalsContact CB-OD2 3.26Å; T123-D149 WeakPolarHBondContact CB-OD2 3.26Å; T123-D149 WeakPolarHBondContact CG2-OD2 3.31Å; T123-D149 PolarHBondContact N-OD2 3Å; T123-D149 VanDerWaalsContact N-OD2 3.13Å; T123-D149 WeakPolarHBondContact OG1-CB 3.38Å; T123-D149 VanDerWaalsContact OG1-CG 3.26Å; T123-D149 PolarHBondContact OG1-OD2 3.17Å; F144-D149 HydrophobicContact CD1-CB 4.21Å; E147-D149 PolarHBondContact O-N 3.41Å; D149-A153 VanDerWaalsContact O-CB 3.26Å; D149-A153 WeakPolarHBondContact O-CB 3.46Å; D149-A153 PolarHBondContact O-N 3.28Å
150M92.1Very high91.5Very high9 Ų954.8 Ų54.84%0.04427%0.268CS..Hα-helixtrans-64.1-45.1174.4-172.4-163.661.300110.8C98 L100 F144 T146 E147 A153 L154 L172C98-M150 HydrophobicContact CB-CB 4.21Å; C98-M150 HydrophobicContact CB-CE 4.11Å; C98-M150 HydrophobicContact CB-CG 4.28Å; C98-M150 HydrophobicContact CB-SD 3.43Å; C98-M150 WeakPolarHBondContact CB-SD 3.5Å; L100-M150 HydrophobicContact CD1-CG 3.99Å; L100-M150 HydrophobicContact CD2-CG 3.47Å; L100-M150 VanDerWaalsContact CD2-CG 3.47Å; L100-M150 HydrophobicContact CD2-SD 3.85Å; L100-M150 HydrophobicContact CG-CG 3.49Å; L100-M150 VanDerWaalsContact CG-CG 3.49Å; L100-M150 HydrophobicContact CG-SD 4.23Å; F144-M150 HydrophobicContact CB-CB 4.18Å; F144-M150 HydrophobicContact CD2-CB 3.89Å; F144-M150 HydrophobicContact CD2-CG 3.84Å; F144-M150 HydrophobicContact CE2-CG 4.32Å; F144-M150 HydrophobicContact CG-CB 4.07Å; T146-M150 PolarHBondContact O-N 2.81Å; E147-M150 HydrophobicContact CG-CE 3.98Å; E147-M150 CarbonylContact O-C 3.53Å; E147-M150 WeakPolarHBondContact O-CA 3.43Å; E147-M150 VanDerWaalsContact O-CB 3.24Å; E147-M150 WeakPolarHBondContact O-CB 3.27Å; E147-M150 PolarHBondContact O-N 3.33Å; M150-A153 CarbonylContact O-C 3.54Å; M150-A153 WeakPolarHBondContact O-CB 3.38Å; M150-A153 PolarHBondContact O-N 2.77Å; M150-L154 WeakPolarHBondContact O-CB 3.07Å; M150-L154 PolarHBondContact O-N 2.81Å; M150-L172 HydrophobicContact CE-CD2 3.4Å; M150-L172 HydrophobicContact SD-CD2 3.97Å
151D90.6Very high91.1Very high50 Ų5059.3 Ų59.327%0.26730%0.298SS..Hα-helixtrans-67.4-41.4179.7-68.4-23.9000111.7E147 A153 L154 I155E147-D151 PolarHBondContact O-N 3.01Å; D151-A153 VanDerWaalsContact C-N 3.28Å; D151-A153 PolarHBondContact O-N 3.1Å; D151-L154 WeakPolarHBondContact O-CB 3.36Å; D151-L154 PolarHBondContact O-N 3.04Å; D151-I155 WeakPolarHBondContact O-CG1 3.17Å; D151-I155 PolarHBondContact O-N 2.95Å; D151-I155 VanDerWaalsContact O-N 3.08Å
152K93.4Very high90.7Very high101 Ų10158.4 Ų58.444%0.43931%0.307SS..Hα-helixtrans-57.6-45.6170.7-72.2172.8-172.6172.90110.9Y121 S148 L154 I155 E156Y121-K152 HydrophobicContact CE1-CB 4.23Å; S148-K152 VanDerWaalsContact O-CG 3.3Å; S148-K152 WeakPolarHBondContact O-CG 3.35Å; S148-K152 PolarHBondContact O-N 3.38Å; S148-K152 VanDerWaalsContact O-N 3.14Å; K152-L154 VanDerWaalsContact C-N 3.34Å; K152-L154 PolarHBondContact O-N 2.89Å; K152-I155 PolarHBondContact O-N 2.88Å; K152-E156 WeakPolarHBondContact O-CB 3.45Å; K152-E156 WeakPolarHBondContact O-CG 3.15Å; K152-E156 PolarHBondContact O-N 3.33Å
153A93.9Very high90.6Very high0 Ų058.7 Ų58.70%031%0.309CS..Hα-helixtrans-63.8-37.9177.200000113L100 F118 Y121 F144 D149 M150 D151 I155 M157L100-A153 HydrophobicContact CD1-CB 3.77Å; F118-A153 HydrophobicContact CD1-CB 4.2Å; F118-A153 HydrophobicContact CE1-CB 4.21Å; Y121-A153 HydrophobicContact CD1-CB 4.39Å; Y121-A153 HydrophobicContact CD2-CB 3.73Å; Y121-A153 HydrophobicContact CE1-CB 4.08Å; Y121-A153 HydrophobicContact CE2-CB 3.35Å; Y121-A153 HydrophobicContact CG-CB 4.24Å; Y121-A153 VanDerWaalsContact CZ-CA 3.44Å; Y121-A153 WeakPolarHBondContact OH-CA 3.4Å; F144-A153 HydrophobicContact CE1-CB 4.24Å; F144-A153 HydrophobicContact CE2-CB 4.43Å; F144-A153 HydrophobicContact CZ-CB 3.77Å; D149-A153 VanDerWaalsContact O-CB 3.26Å; D149-A153 WeakPolarHBondContact O-CB 3.46Å; D149-A153 PolarHBondContact O-N 3.28Å; M150-A153 CarbonylContact O-C 3.54Å; M150-A153 WeakPolarHBondContact O-CB 3.38Å; M150-A153 PolarHBondContact O-N 2.77Å; D151-A153 VanDerWaalsContact C-N 3.28Å; D151-A153 PolarHBondContact O-N 3.1Å; A153-I155 VanDerWaalsContact C-N 3.31Å; A153-I155 PolarHBondContact O-N 3.03Å; A153-M157 WeakPolarHBondContact O-CB 3.5Å; A153-M157 WeakPolarHBondContact O-CG 3.33Å; A153-M157 PolarHBondContact O-N 3.27Å
154L92.2Very high90.4Very high19 Ų1954.9 Ų54.910%0.09930%0.304CS..Hα-helixtrans-60.5-40.4176-179.164.9000111.8L100 M150 D151 K152 V170 L172L100-L154 HydrophobicContact CD2-CB 4.28Å; L100-L154 HydrophobicContact CD2-CD1 4.17Å; M150-L154 WeakPolarHBondContact O-CB 3.07Å; M150-L154 PolarHBondContact O-N 2.81Å; D151-L154 WeakPolarHBondContact O-CB 3.36Å; D151-L154 PolarHBondContact O-N 3.04Å; K152-L154 VanDerWaalsContact C-N 3.34Å; K152-L154 PolarHBondContact O-N 2.89Å; L154-V170 HydrophobicContact CD1-CB 4.4Å; L154-V170 HydrophobicContact CD1-CG1 3.97Å; L154-L172 HydrophobicContact CD2-CD2 4.1Å; L154-L172 HydrophobicContact CD2-CG 4.29Å
155I90.5Very high90.3Very high95 Ų9563.2 Ų63.249%0.48734%0.336SS..Hα-helixtrans-79.6-52.6-179-62.3166.4000111D151 K152 A153D151-I155 WeakPolarHBondContact O-CG1 3.17Å; D151-I155 PolarHBondContact O-N 2.95Å; D151-I155 VanDerWaalsContact O-N 3.08Å; K152-I155 PolarHBondContact O-N 2.88Å; A153-I155 VanDerWaalsContact C-N 3.31Å; A153-I155 PolarHBondContact O-N 3.03Å
156E92.8Very high90.4Very high113 Ų11363.5 Ų63.553%0.52833%0.334SS..Hα-helixtrans-73.3-29.9-172.1-72.5-178.5-159.300113.9K120 Y121 K152 Q158K120-E156 IonicContact NZ-OE2 2.83Å; K120-E156 PolarHBondContact NZ-OE2 3.37Å; Y121-E156 WeakPolarHBondContact OH-CB 3.13Å; Y121-E156 PolarHBondContact OH-OE2 3.35Å; K152-E156 WeakPolarHBondContact O-CB 3.45Å; K152-E156 WeakPolarHBondContact O-CG 3.15Å; K152-E156 PolarHBondContact O-N 3.33Å; E156-Q158 VanDerWaalsContact C-N 3.33Å
157M93.3Very high90.6Very high1 Ų163.7 Ų63.71%0.00534%0.337CS..THydrogen-bonded Turntrans-91.41.5-177.2-61-66.2-65.600112.9A117 F118 K120 Y121 A153 N159 Y160 I168 V170A117-M157 HydrophobicContact CB-CE 4.04Å; F118-M157 HydrophobicContact CD1-CG 4.14Å; F118-M157 HydrophobicContact CD2-CE 4.35Å; F118-M157 HydrophobicContact CE1-CB 3.96Å; F118-M157 HydrophobicContact CE1-CE 4.37Å; F118-M157 HydrophobicContact CE1-CG 3.63Å; F118-M157 HydrophobicContact CE2-CE 4.03Å; F118-M157 HydrophobicContact CZ-CB 4.02Å; F118-M157 HydrophobicContact CZ-CE 4.05Å; F118-M157 HydrophobicContact CZ-CG 4.03Å; K120-M157 WeakPolarHBondContact CE-SD 3.37Å; Y121-M157 HydrophobicContact CE2-CG 3.97Å; Y121-M157 HydrophobicContact CE2-SD 4.42Å; Y121-M157 WeakPolarHBondContact OH-CG 3.49Å; A153-M157 WeakPolarHBondContact O-CB 3.5Å; A153-M157 WeakPolarHBondContact O-CG 3.33Å; A153-M157 PolarHBondContact O-N 3.27Å; M157-N159 PolarHBondContact O-N 3.18Å; M157-Y160 HydrophobicContact CE-CD1 3.64Å; M157-Y160 HydrophobicContact CE-CD2 4.2Å; M157-Y160 HydrophobicContact CE-CE1 4.08Å; M157-Y160 HydrophobicContact CE-CG 3.7Å; M157-Y160 VanDerWaalsContact O-CB 3.3Å; M157-Y160 WeakPolarHBondContact O-CB 3.45Å; M157-Y160 PolarHBondContact O-N 2.99Å; M157-Y160 HydrophobicContact SD-CD2 4.44Å; M157-Y160 HydrophobicContact SD-CG 4.38Å; M157-I168 HydrophobicContact CB-CD1 4.43Å; M157-I168 HydrophobicContact CE-CD1 4.14Å; M157-I168 WeakPolarHBondContact O-CG1 3.23Å; M157-V170 HydrophobicContact CB-CG2 3.92Å
158Q89.9Confident90.9Very high48 Ų4858 Ų5822%0.22431%0.31CS..THydrogen-bonded Turntrans-65.4127.6177.8-16964.2-1.300110.3E156 Y160 V170E156-Q158 VanDerWaalsContact C-N 3.33Å; Q158-Y160 PolarHBondContact O-N 3Å; Q158-V170 PolarHBondContact OE1-O 2.95Å
159N89.6Confident91Very high102 Ų10258.2 Ų58.255%0.54530%0.3SS..THydrogen-bonded Turntrans6220.8-175.9-47.9-42.1000114.4M157 C161 P167 I168M157-N159 PolarHBondContact O-N 3.18Å; N159-C161 PolarHBondContact O-N 3.41Å; N159-P167 HydrophobicContact CB-CB 4.34Å; N159-I168 WeakPolarHBondContact CA-O 3.12Å; N159-I168 PolarHBondContact N-O 3.38Å
160Y91.1Very high91.1Very high93 Ų9357.3 Ų57.337%0.36530%0.295SS..  trans-61125.6178.4174.6-99.6000111.4A117 M157 Q158 L163 I168A117-Y160 HydrophobicContact CB-CE1 4.29Å; M157-Y160 HydrophobicContact CE-CD1 3.64Å; M157-Y160 HydrophobicContact CE-CD2 4.2Å; M157-Y160 HydrophobicContact CE-CE1 4.08Å; M157-Y160 HydrophobicContact CE-CG 3.7Å; M157-Y160 VanDerWaalsContact O-CB 3.3Å; M157-Y160 WeakPolarHBondContact O-CB 3.45Å; M157-Y160 PolarHBondContact O-N 2.99Å; M157-Y160 HydrophobicContact SD-CD2 4.44Å; M157-Y160 HydrophobicContact SD-CG 4.38Å; Q158-Y160 PolarHBondContact O-N 3Å; Y160-L163 HydrophobicContact CE1-CG 4.34Å; Y160-I168 HydrophobicContact CD1-CD1 4.06Å; Y160-I168 HydrophobicContact CG-CD1 4.41Å; Y160-I168 PolarHBondContact O-N 3.37Å
161C86.5Confident91.1Very high94 Ų9458.5 Ų58.564%0.63530%0.304SS*.SBendtrans-97.5114.2174.2-62.10000108.8N159N159-C161 PolarHBondContact O-N 3.41Å
162G85.7Confident91.1Very high47 Ų4759.6 Ų59.649%0.48531%0.31SS..  trans161.4-11.3-17700000114.5
163L90.4Very high90.8Very high6 Ų655.7 Ų55.73%0.03130%0.296CS..SBendtrans-106.660.5168.6-65.3176.3000109.2L105 V109 A113 L114 A117 F118 Y160 I168L105-L163 HydrophobicContact CD2-CB 4.08Å; L105-L163 HydrophobicContact CD2-CD1 4.03Å; V109-L163 HydrophobicContact CG1-CB 4.41Å; V109-L163 HydrophobicContact CG1-CD2 4.2Å; V109-L163 HydrophobicContact CG2-CB 4.04Å; V109-L163 VanDerWaalsContact CG2-O 3.22Å; V109-L163 WeakPolarHBondContact CG2-O 2.96Å; A113-L163 HydrophobicContact CB-CD2 4.23Å; A113-L163 WeakPolarHBondContact O-CD2 3.42Å; L114-L163 HydrophobicContact CD1-CD1 3.54Å; A117-L163 HydrophobicContact CB-CD1 3.87Å; A117-L163 HydrophobicContact CB-CD2 3.85Å; A117-L163 HydrophobicContact CB-CG 4Å; F118-L163 HydrophobicContact CE2-CD1 4.38Å; Y160-L163 HydrophobicContact CE1-CG 4.34Å; L163-I168 HydrophobicContact CB-CG2 3.77Å; L163-I168 HydrophobicContact CD1-CD1 4.09Å; L163-I168 HydrophobicContact CD1-CG2 4.13Å; L163-I168 HydrophobicContact CG-CG2 4.45Å
164G87.4Confident90.1Very high29 Ų2960 Ų6030%0.29932%0.319SS..SBendtrans108.5-167.9-177.300000114.8T106 K166T106-G164 WeakPolarHBondContact OG1-CA 3.26Å; G164-K166 VanDerWaalsContact C-N 3.34Å
165Y89Confident88.8Confident175 Ų17562.5 Ų62.569%0.68634%0.335SS*.SBendtrans-83.3-6.2178.165.6-96000114.1T106T106-Y165 HydrophobicContact CG2-CD1 3.44Å; T106-Y165 VanDerWaalsContact CG2-CD1 3.44Å; T106-Y165 HydrophobicContact CG2-CD2 4.42Å; T106-Y165 HydrophobicContact CG2-CE1 3.4Å; T106-Y165 VanDerWaalsContact CG2-CE1 3.4Å; T106-Y165 HydrophobicContact CG2-CE2 4.4Å; T106-Y165 HydrophobicContact CG2-CG 3.95Å
166K90.5Very high87.1Confident83 Ų8364.6 Ų64.636%0.36134%0.341SS..SBendtrans-109.8146.9177.7-63.1-173.7178-177.10110.7T106 G164T106-K166 HydrophobicContact CG2-CB 4.3Å; T106-K166 HydrophobicContact CG2-CG 4.21Å; G164-K166 VanDerWaalsContact C-N 3.34Å
167P92.5Very high85Confident63 Ų6365.2 Ų65.241%0.40934%0.339SS..  trans-67133.9167.927.8-32.7000110N159N159-P167 HydrophobicContact CB-CB 4.34Å
168I95.1Very high82.7Confident0 Ų072 Ų720%037%0.365CS..  trans-75.3155.4178.571.5-179.3000111.6V102 L105 F118 M157 N159 Y160 L163 V170V102-I168 HydrophobicContact CG1-CB 4.14Å; V102-I168 HydrophobicContact CG1-CD1 3.99Å; V102-I168 HydrophobicContact CG1-CG1 4.47Å; L105-I168 HydrophobicContact CD2-CG2 3.79Å; F118-I168 HydrophobicContact CE2-CD1 4.37Å; F118-I168 HydrophobicContact CZ-CD1 4.29Å; M157-I168 HydrophobicContact CB-CD1 4.43Å; M157-I168 HydrophobicContact CE-CD1 4.14Å; M157-I168 WeakPolarHBondContact O-CG1 3.23Å; N159-I168 WeakPolarHBondContact CA-O 3.12Å; N159-I168 PolarHBondContact N-O 3.38Å; Y160-I168 HydrophobicContact CD1-CD1 4.06Å; Y160-I168 HydrophobicContact CG-CD1 4.41Å; Y160-I168 PolarHBondContact O-N 3.37Å; L163-I168 HydrophobicContact CB-CG2 3.77Å; L163-I168 HydrophobicContact CD1-CD1 4.09Å; L163-I168 HydrophobicContact CD1-CG2 4.13Å; L163-I168 HydrophobicContact CG-CG2 4.45Å; I168-V170 HydrophobicContact CD1-CG2 4Å; I168-V170 HydrophobicContact CG1-CG2 4.13Å
169R93.2Very high80.3Confident76 Ų7673.6 Ų73.629%0.28738%0.375SS..EExtended strand (participates in β ladder)trans-115129171.5-62.4-179.769.4-160.12.5109.5V102 G103 E104V102-R169 CarbonylContact C-O 3.54Å; V102-R169 WeakPolarHBondContact CA-O 3.07Å; G103-R169 PolarHBondContact N-O 3.16Å; G103-R169 PolarHBondContact O-N 3.48Å; E104-R169 HydrophobicContact CB-CG 4.44Å; E104-R169 HydrophobicContact CG-CB 4.39Å; E104-R169 HydrophobicContact CG-CG 3.76Å
170V94.2Very high78.1Confident0 Ų074.5 Ų74.50%040%0.397CS..EExtended strand (participates in β ladder)trans-114.6134.1-177.9-171.20000109.3L100 F101 F118 L154 M157 Q158 I168 Y224L100-V170 HydrophobicContact CB-CG1 4.22Å; L100-V170 HydrophobicContact CD1-CG1 3.76Å; L100-V170 HydrophobicContact CD2-CG1 4.31Å; L100-V170 HydrophobicContact CG-CG1 4.31Å; F101-V170 WeakPolarHBondContact O-CA 3.48Å; F118-V170 HydrophobicContact CZ-CG2 4.29Å; L154-V170 HydrophobicContact CD1-CB 4.4Å; L154-V170 HydrophobicContact CD1-CG1 3.97Å; M157-V170 HydrophobicContact CB-CG2 3.92Å; Q158-V170 PolarHBondContact OE1-O 2.95Å; I168-V170 HydrophobicContact CD1-CG2 4Å; I168-V170 HydrophobicContact CG1-CG2 4.13Å; V170-Y224 PolarHBondContact O-OH 3.19Å; V170-Y224 VanDerWaalsContact O-OH 3.09Å
171S92.1Very high76.4Confident33 Ų3376 Ų7623%0.23141%0.411CS..EExtended strand (participates in β ladder)trans-144.9164.6175.669.60000110.9L100 F101 A173L100-S171 CarbonylContact C-O 3.56Å; L100-S171 WeakPolarHBondContact CA-O 3.25Å; F101-S171 WeakPolarHBondContact CD1-OG 3.39Å; F101-S171 PolarHBondContact N-O 3.37Å; F101-S171 PolarHBondContact O-N 2.7Å; S171-A173 PolarHBondContact O-N 3.24Å
172L89.6Confident74.4Confident74 Ų7474 Ų7439%0.38741%0.407SS..EExtended strand (participates in β ladder)trans-59.9136.4170.3-63.5177.5000110.2L100 M150 L154L100-L172 HydrophobicContact CD2-CD2 4.12Å; M150-L172 HydrophobicContact CE-CD2 3.4Å; M150-L172 HydrophobicContact SD-CD2 3.97Å; L154-L172 HydrophobicContact CD2-CD2 4.1Å; L154-L172 HydrophobicContact CD2-CG 4.29Å
173A87.1Confident72.4Confident19 Ų1974.8 Ų74.816%0.15741%0.405CS..  trans-79.7128.3175.300000109.9S99 F101 F141 S171 P175S99-A173 WeakPolarHBondContact O-CB 3.17Å; S99-A173 PolarHBondContact O-N 3.17Å; F101-A173 HydrophobicContact CB-CB 4.43Å; F141-A173 HydrophobicContact CD1-CB 3.94Å; F141-A173 HydrophobicContact CE1-CB 4.13Å; S171-A173 PolarHBondContact O-N 3.24Å; A173-P175 VanDerWaalsContact O-CD 3.25Å; A173-P175 WeakPolarHBondContact O-CD 3.14Å
174I79.1Confident70.4Confident91 Ų9178.9 Ų78.947%0.46743%0.426SS..  trans-75.1115.3172.7-57172.3000107.7K176I174-K176 PolarHBondContact O-N 3.17Å
175P64.8Low68.4Low70 Ų7079.2 Ų79.246%0.45542%0.423SS..  trans-64.7110.6175.126.7-32000108.2A173 R177A173-P175 VanDerWaalsContact O-CD 3.25Å; A173-P175 WeakPolarHBondContact O-CD 3.14Å; P175-R177 VanDerWaalsContact C-N 3.34Å; P175-R177 PolarHBondContact O-N 2.79Å
176K55.7Low66.4Low140 Ų14074.7 Ų74.761%0.60941%0.413SS*.EExtended strand (participates in β ladder)trans-71.892.2171.5-66.5-175.1-178.9-176.40108.1I174 Y178 L184I174-K176 PolarHBondContact O-N 3.17Å; K176-Y178 HydrophobicContact CB-CE2 4.2Å; K176-L184 HydrophobicContact CB-CD2 4.13Å; K176-L184 HydrophobicContact CD-CD2 4.29Å; K176-L184 HydrophobicContact CG-CD2 4.16Å
177R48Very low64Low125 Ų12572.7 Ų72.747%0.47241%0.408SS..EExtended strand (participates in β ladder)trans-84.7135.2161.6-54.5-158.6-151.3-1610.2106.3P175 L184 V185 T187P175-R177 VanDerWaalsContact C-N 3.34Å; P175-R177 PolarHBondContact O-N 2.79Å; R177-L184 CarbonylContact O-C 3.59Å; R177-V185 HydrophobicContact CB-CB 3.8Å; R177-V185 HydrophobicContact CB-CG1 4.25Å; R177-V185 WeakPolarHBondContact CB-O 3.37Å; R177-V185 PolarHBondContact N-O 2.8Å; R177-V185 CarbonylContact O-C 3.56Å; R177-V185 WeakPolarHBondContact O-CA 3.27Å; R177-V185 PolarHBondContact O-N 3.19Å; R177-V185 VanDerWaalsContact O-O 3.09Å; R177-T187 WeakPolarHBondContact CD-OG1 3.02Å; R177-T187 PolarHBondContact NE-OG1 2.8Å; R177-T187 VanDerWaalsContact NE-OG1 3.13Å
178Y44.4Very low61.5Low145 Ų14573.8 Ų73.857%0.56941%0.413SS*.EExtended strand (participates in β ladder)trans-104.1132.5171.2-77.1-90.5000107.2K176 G182 S183 L184K176-Y178 HydrophobicContact CB-CE2 4.2Å; Y178-G182 WeakPolarHBondContact CD1-O 3.45Å; Y178-S183 CarbonylContact C-O 3.48Å; Y178-S183 WeakPolarHBondContact CA-O 3.1Å; Y178-L184 HydrophobicContact CD1-CD2 3.99Å; Y178-L184 HydrophobicContact CD1-CG 4.36Å; Y178-L184 HydrophobicContact CD2-CD2 4.33Å; Y178-L184 HydrophobicContact CE1-CD2 3.47Å; Y178-L184 VanDerWaalsContact CE1-CD2 3.47Å; Y178-L184 HydrophobicContact CE1-CG 3.87Å; Y178-L184 HydrophobicContact CE2-CD2 3.85Å; Y178-L184 HydrophobicContact CG-CD2 4.41Å
179N40.3Very low58.7Low80 Ų8078.7 Ų78.743%0.42844%0.443SS..  trans-64.9160.7166.9-89.4-36.7000108.6D181 G182 S183 V185N179-D181 WeakPolarHBondContact CB-OD1 3.43Å; N179-D181 PolarHBondContact O-N 3.38Å; N179-G182 PolarHBondContact O-N 3.26Å; N179-S183 PolarHBondContact N-O 2.94Å; N179-V185 HydrophobicContact CB-CG2 3.72Å; N179-V185 WeakPolarHBondContact ND2-CG2 3.39Å; N179-V185 WeakPolarHBondContact OD1-CG2 3.12Å
180A44Very low56Low122 Ų12279.3 Ų79.3100%1.00847%0.465SS*.THydrogen-bonded Turntrans-58.3-18.317500000113.6
181D54.3Low53.2Low123 Ų12383.6 Ų83.666%0.65850%0.495SS*.THydrogen-bonded Turntrans-89.12.1176.966.90.6000114.1N179 S183N179-D181 WeakPolarHBondContact CB-OD1 3.43Å; N179-D181 PolarHBondContact O-N 3.38Å; D181-S183 VanDerWaalsContact C-N 3.31Å; D181-S183 WeakPolarHBondContact OD1-CB 3.22Å; D181-S183 PolarHBondContact OD1-N 3.15Å
182G44.9Very low50.4Low53 Ų5391.3 Ų91.355%0.54653%0.527SS..SBendtrans81.71.6-177.300000114.9Y178 N179Y178-G182 WeakPolarHBondContact CD1-O 3.45Å; N179-G182 PolarHBondContact O-N 3.26Å
183S43.3Very low47.8Very low63 Ų6393.5 Ų93.544%0.44154%0.544SS..  trans-75.9143.9172.9-170.60000111.2Y178 N179 D181 V185Y178-S183 CarbonylContact C-O 3.48Å; Y178-S183 WeakPolarHBondContact CA-O 3.1Å; N179-S183 PolarHBondContact N-O 2.94Å; D181-S183 VanDerWaalsContact C-N 3.31Å; D181-S183 WeakPolarHBondContact OD1-CB 3.22Å; D181-S183 PolarHBondContact OD1-N 3.15Å; S183-V185 PolarHBondContact O-N 3.01Å
184L47.9Very low45.3Very low92 Ų9299 Ų9948%0.48258%0.581SS.*EExtended strand (participates in β ladder)trans-72109.2176-75.7164.7000109.6K176 R177 Y178 V186K176-L184 HydrophobicContact CB-CD2 4.13Å; K176-L184 HydrophobicContact CD-CD2 4.29Å; K176-L184 HydrophobicContact CG-CD2 4.16Å; R177-L184 CarbonylContact O-C 3.59Å; Y178-L184 HydrophobicContact CD1-CD2 3.99Å; Y178-L184 HydrophobicContact CD1-CG 4.36Å; Y178-L184 HydrophobicContact CD2-CD2 4.33Å; Y178-L184 HydrophobicContact CE1-CD2 3.47Å; Y178-L184 VanDerWaalsContact CE1-CD2 3.47Å; Y178-L184 HydrophobicContact CE1-CG 3.87Å; Y178-L184 HydrophobicContact CE2-CD2 3.85Å; Y178-L184 HydrophobicContact CG-CD2 4.41Å; L184-V186 PolarHBondContact O-N 2.77Å
185V47.1Very low43.5Very low37 Ų3798.5 Ų98.522%0.22459%0.586CS.*EExtended strand (participates in β ladder)trans-76.3103.5163.7-176.10000107.8R177 N179 S183 T187R177-V185 HydrophobicContact CB-CB 3.8Å; R177-V185 HydrophobicContact CB-CG1 4.25Å; R177-V185 WeakPolarHBondContact CB-O 3.37Å; R177-V185 PolarHBondContact N-O 2.8Å; R177-V185 CarbonylContact O-C 3.56Å; R177-V185 WeakPolarHBondContact O-CA 3.27Å; R177-V185 PolarHBondContact O-N 3.19Å; R177-V185 VanDerWaalsContact O-O 3.09Å; N179-V185 HydrophobicContact CB-CG2 3.72Å; N179-V185 WeakPolarHBondContact ND2-CG2 3.39Å; N179-V185 WeakPolarHBondContact OD1-CG2 3.12Å; S183-V185 PolarHBondContact O-N 3.01Å; V185-T187 VanDerWaalsContact C-N 3.31Å; V185-T187 WeakPolarHBondContact CG1-OG1 3.36Å; V185-T187 PolarHBondContact O-N 3.06Å; V185-T187 VanDerWaalsContact O-N 3.09Å
186V45.6Very low42.5Very low80 Ų80101.8 Ų101.849%0.48560%0.604SS.*EExtended strand (participates in β ladder)trans-7492.8158.8-177.90000106.1L184 T188L184-V186 PolarHBondContact O-N 2.77Å; V186-T188 PolarHBondContact O-N 3.16Å; V186-T188 VanDerWaalsContact O-N 3.14Å
187T40.1Very low42Very low41 Ų4199.5 Ų99.525%0.25260%0.602SS.*  trans-79.195.7172.5-49.40000108.2R177 V185 T189R177-T187 WeakPolarHBondContact CD-OG1 3.02Å; R177-T187 PolarHBondContact NE-OG1 2.8Å; R177-T187 VanDerWaalsContact NE-OG1 3.13Å; V185-T187 VanDerWaalsContact C-N 3.31Å; V185-T187 WeakPolarHBondContact CG1-OG1 3.36Å; V185-T187 PolarHBondContact O-N 3.06Å; V185-T187 VanDerWaalsContact O-N 3.09Å; T187-T189 HydrophobicContact CG2-CG2 4.35Å; T187-T189 PolarHBondContact O-N 3.34Å; T187-T189 VanDerWaalsContact O-N 3.11Å
188T40.6Very low41.8Very low85 Ų8598.5 Ų98.552%0.52161%0.611SS.*  trans-59.9101.3154.631.10000107.6V186 A190 F205V186-T188 PolarHBondContact O-N 3.16Å; V186-T188 VanDerWaalsContact O-N 3.14Å; T188-A190 PolarHBondContact O-N 3.12Å; T188-F205 HydrophobicContact CG2-CD1 4.28Å; T188-F205 HydrophobicContact CG2-CE1 3.82Å
189T36.2Very low41.6Very low103 Ų10398.1 Ų98.163%0.63263%0.63SS**  trans-73.571.1158.544.20000107.6T187 S191T187-T189 HydrophobicContact CG2-CG2 4.35Å; T187-T189 PolarHBondContact O-N 3.34Å; T187-T189 VanDerWaalsContact O-N 3.11Å; T189-S191 PolarHBondContact O-N 3.34Å; T189-S191 VanDerWaalsContact O-N 3.09Å
190A36.6Very low41.9Very low89 Ų8998 Ų9874%0.73665%0.648SS**  trans-78.568.916000000107T188 E192T188-A190 PolarHBondContact O-N 3.12Å; A190-E192 PolarHBondContact O-N 2.84Å
191S35.2Very low42.1Very low90 Ų9099.8 Ų99.863%0.62964%0.637SS**  trans-8894.4171-68.50000107.5T189 T193T189-S191 PolarHBondContact O-N 3.34Å; T189-S191 VanDerWaalsContact O-N 3.09Å; S191-T193 PolarHBondContact O-N 3.5Å; S191-T193 VanDerWaalsContact O-N 3.08Å
192E32.8Very low41.9Very low195 Ų19598 Ų9891%0.91163%0.632SS**  trans38.861.2146.3-61.4179.6158.200116.3A190A190-E192 PolarHBondContact O-N 2.84Å
193T36.9Very low42.2Very low120 Ų12098.5 Ų98.574%0.73662%0.623SS**  trans-123.6106.3157.849.80000108.8S191 S195S191-T193 PolarHBondContact O-N 3.5Å; S191-T193 VanDerWaalsContact O-N 3.08Å; T193-S195 PolarHBondContact O-N 3.15Å
194S32.6Very low42.7Very low134 Ų13498.1 Ų98.194%0.93762%0.619SS**  trans-54.397.2172.9-41.40000110
195S41.5Very low42.9Very low82 Ų8298.7 Ų98.757%0.57362%0.618SS**  trans-128.6114172.661.80000109.9T193 V197T193-S195 PolarHBondContact O-N 3.15Å; S195-V197 PolarHBondContact O-N 3.24Å; S195-V197 VanDerWaalsContact O-N 3.08Å
196V44.5Very low43.4Very low138 Ų138100.2 Ų100.284%0.83663%0.627SS**  trans-41.7102.8174.5-177.10000111.1
197V44.9Very low43.8Very low92 Ų9297.9 Ų97.956%0.55862%0.616SS**  trans-109122.5163-87.80000108.2S195 S199S195-V197 PolarHBondContact O-N 3.24Å; S195-V197 VanDerWaalsContact O-N 3.08Å; V197-S199 PolarHBondContact O-N 3.44Å
198P44.8Very low44.5Very low104 Ų10497 Ų9768%0.67561%0.613SS**  trans-60.3132.9174.7-20.731.5000110.9G200P198-G200 PolarHBondContact O-N 3.49Å
199S39.8Very low45.1Very low138 Ų13895.1 Ų95.197%0.96560%0.601SS**THydrogen-bonded Turntrans-53.4108.4174.6-820000111V197V197-S199 PolarHBondContact O-N 3.44Å
200G46.8Very low46Very low78 Ų7892.8 Ų92.880%0.80459%0.592SS**THydrogen-bonded Turntrans141.9-15.8172.900000116P198P198-G200 PolarHBondContact O-N 3.49Å
201M47.1Very low46.9Very low158 Ų15888.8 Ų88.878%0.77856%0.56SS**SBendtrans-108.2134.5173.3-97.9-171.2-172.400111.4D203M201-D203 PolarHBondContact O-N 3.03Å
202P50.9Low47.8Very low86 Ų8687.2 Ų87.256%0.55855%0.552SS**  trans-59.7135.4168.125.9-30.7000108.1A207P202-A207 HydrophobicContact CG-CB 4.42Å
203D50.9Low48.8Very low64 Ų6483.7 Ų83.734%0.34254%0.544SS..  trans-54.9142.5176.770.873.2000109M201 F205 T206 A207M201-D203 PolarHBondContact O-N 3.03Å; D203-F205 PolarHBondContact O-N 2.87Å; D203-F205 WeakPolarHBondContact OD1-CA 3.22Å; D203-F205 VanDerWaalsContact OD1-CB 3.26Å; D203-F205 WeakPolarHBondContact OD1-CB 3.41Å; D203-F205 PolarHBondContact OD1-N 3.34Å; D203-F205 VanDerWaalsContact OD1-N 3.12Å; D203-T206 VanDerWaalsContact CG-CB 3.5Å; D203-T206 PolarHBondContact O-N 3.3Å; D203-T206 VanDerWaalsContact OD1-CB 3.31Å; D203-T206 WeakPolarHBondContact OD1-CB 3.17Å; D203-T206 PolarHBondContact OD1-N 2.88Å; D203-T206 PolarHBondContact OD1-OG1 3.23Å; D203-T206 VanDerWaalsContact OD1-OG1 3.04Å; D203-T206 VanDerWaalsContact OD2-CB 3.24Å; D203-T206 WeakPolarHBondContact OD2-CB 3.42Å; D203-T206 PolarHBondContact OD2-OG1 3.47Å; D203-A207 PolarHBondContact O-N 2.89Å
204P53.1Low49.8Very low55 Ų5582.5 Ų82.536%0.35754%0.536SS..Hα-helixtrans-57.7-28.2-174.219.8-31000111.3A208 Y223P204-A208 VanDerWaalsContact O-CB 3.3Å; P204-A208 WeakPolarHBondContact O-CB 3.36Å; P204-A208 PolarHBondContact O-N 3.23Å; P204-Y223 HydrophobicContact CB-CE2 3.96Å; P204-Y223 WeakPolarHBondContact O-CE2 3.17Å
205F51.8Low50.6Low104 Ų10479.4 Ų79.446%0.45653%0.526SS..Hα-helixtrans-67.8-43.6176.8-164.5-93.4000111.9T188 D203 A208 V209T188-F205 HydrophobicContact CG2-CD1 4.28Å; T188-F205 HydrophobicContact CG2-CE1 3.82Å; D203-F205 PolarHBondContact O-N 2.87Å; D203-F205 WeakPolarHBondContact OD1-CA 3.22Å; D203-F205 VanDerWaalsContact OD1-CB 3.26Å; D203-F205 WeakPolarHBondContact OD1-CB 3.41Å; D203-F205 PolarHBondContact OD1-N 3.34Å; D203-F205 VanDerWaalsContact OD1-N 3.12Å; F205-A208 WeakPolarHBondContact O-CB 3.33Å; F205-A208 PolarHBondContact O-N 3.32Å; F205-V209 HydrophobicContact CD1-CG2 4.27Å; F205-V209 HydrophobicContact CE1-CG2 4.17Å; F205-V209 WeakPolarHBondContact O-CB 3.48Å; F205-V209 WeakPolarHBondContact O-CG2 3.16Å; F205-V209 PolarHBondContact O-N 2.86Å
206T58.2Low51.2Low69 Ų6979.9 Ų79.942%0.42352%0.522SS..Hα-helixtrans-67.5-39.9176-68.30000111.2D203 V209 A210D203-T206 VanDerWaalsContact CG-CB 3.5Å; D203-T206 PolarHBondContact O-N 3.3Å; D203-T206 VanDerWaalsContact OD1-CB 3.31Å; D203-T206 WeakPolarHBondContact OD1-CB 3.17Å; D203-T206 PolarHBondContact OD1-N 2.88Å; D203-T206 PolarHBondContact OD1-OG1 3.23Å; D203-T206 VanDerWaalsContact OD1-OG1 3.04Å; D203-T206 VanDerWaalsContact OD2-CB 3.24Å; D203-T206 WeakPolarHBondContact OD2-CB 3.42Å; D203-T206 PolarHBondContact OD2-OG1 3.47Å; T206-V209 PolarHBondContact O-N 3.32Å; T206-A210 WeakPolarHBondContact O-CB 3.31Å; T206-A210 PolarHBondContact O-N 2.88Å
207A54.4Low51.9Low30 Ų3077.8 Ų77.825%0.24851%0.513CS..Hα-helixtrans-64.9-41.4173.800000112.1P202 D203 V209 A210 A211 Y223P202-A207 HydrophobicContact CG-CB 4.42Å; D203-A207 PolarHBondContact O-N 2.89Å; A207-V209 VanDerWaalsContact C-N 3.35Å; A207-V209 PolarHBondContact O-N 3.08Å; A207-A210 PolarHBondContact O-N 3.05Å; A207-A211 WeakPolarHBondContact O-CB 3.42Å; A207-A211 PolarHBondContact O-N 3.05Å; A207-Y223 HydrophobicContact CB-CD2 4.19Å
208A54.1Low52.6Low24 Ų2475.9 Ų75.920%0.19851%0.507CS..Hα-helixtrans-62.2-42.3174.500000112P204 F205 A211 A212 Y223P204-A208 VanDerWaalsContact O-CB 3.3Å; P204-A208 WeakPolarHBondContact O-CB 3.36Å; P204-A208 PolarHBondContact O-N 3.23Å; F205-A208 WeakPolarHBondContact O-CB 3.33Å; F205-A208 PolarHBondContact O-N 3.32Å; A208-A211 PolarHBondContact O-N 2.89Å; A208-A212 VanDerWaalsContact O-CB 3.25Å; A208-A212 WeakPolarHBondContact O-CB 3.45Å; A208-A212 PolarHBondContact O-N 3.49Å; A208-Y223 HydrophobicContact CB-CD1 4.23Å; A208-Y223 HydrophobicContact CB-CD2 4.02Å; A208-Y223 HydrophobicContact CB-CE1 3.76Å; A208-Y223 HydrophobicContact CB-CE2 3.6Å; A208-Y223 HydrophobicContact CB-CG 4.32Å
209V54.6Low53Low44 Ų4472.3 Ų72.327%0.26749%0.486SS..Hα-helixtrans-64.4-45.2177.2170.10000110.3F205 T206 A207 A211 A212 V213F205-V209 HydrophobicContact CD1-CG2 4.27Å; F205-V209 HydrophobicContact CE1-CG2 4.17Å; F205-V209 WeakPolarHBondContact O-CB 3.48Å; F205-V209 WeakPolarHBondContact O-CG2 3.16Å; F205-V209 PolarHBondContact O-N 2.86Å; T206-V209 PolarHBondContact O-N 3.32Å; A207-V209 VanDerWaalsContact C-N 3.35Å; A207-V209 PolarHBondContact O-N 3.08Å; V209-A211 PolarHBondContact O-N 2.8Å; V209-A212 PolarHBondContact O-N 3.07Å; V209-V213 HydrophobicContact CG1-CG2 4.42Å; V209-V213 WeakPolarHBondContact O-CB 3.46Å; V209-V213 WeakPolarHBondContact O-CG2 3.36Å; V209-V213 PolarHBondContact O-N 3.44Å
210A53.6Low53.7Low54 Ų5468.3 Ų68.345%0.44645%0.452SS..Hα-helixtrans-62.1-42.2176.100000112.3T206 A207 T214T206-A210 WeakPolarHBondContact O-CB 3.31Å; T206-A210 PolarHBondContact O-N 2.88Å; A207-A210 PolarHBondContact O-N 3.05Å; A210-T214 WeakPolarHBondContact O-CB 2.96Å; A210-T214 VanDerWaalsContact O-CG2 3.29Å; A210-T214 WeakPolarHBondContact O-CG2 3.16Å; A210-T214 PolarHBondContact O-N 2.86Å; A210-T214 PolarHBondContact O-OG1 2.98Å
211A56.4Low54.3Low6 Ų667.2 Ų67.25%0.0544%0.436CS..Hα-helixtrans-67.6-39.8177.200000112.6A207 A208 V209 T214 G215 A219 Q220A207-A211 WeakPolarHBondContact O-CB 3.42Å; A207-A211 PolarHBondContact O-N 3.05Å; A208-A211 PolarHBondContact O-N 2.89Å; V209-A211 PolarHBondContact O-N 2.8Å; A211-T214 PolarHBondContact O-OG1 2.78Å; A211-G215 PolarHBondContact O-N 3.12Å; A211-A219 HydrophobicContact CB-CB 3.99Å; A211-Q220 HydrophobicContact CB-CB 4.48Å
212A53.8Low55.1Low57 Ų5766.2 Ų66.247%0.47143%0.429SS..Hα-helixtrans-69.6-34.8178.700000112.8A208 V209A208-A212 VanDerWaalsContact O-CB 3.25Å; A208-A212 WeakPolarHBondContact O-CB 3.45Å; A208-A212 PolarHBondContact O-N 3.49Å; V209-A212 PolarHBondContact O-N 3.07Å
213V54.4Low55.6Low121 Ų12164.1 Ų64.173%0.73341%0.41SS*.Hα-helixtrans-74.4-35.8178.9170.60000112V209V209-V213 HydrophobicContact CG1-CG2 4.42Å; V209-V213 WeakPolarHBondContact O-CB 3.46Å; V209-V213 WeakPolarHBondContact O-CG2 3.36Å; V209-V213 PolarHBondContact O-N 3.44Å
214T56.8Low56.1Low94 Ų9463.3 Ų63.358%0.57740%0.403SS*.Hα-helixtrans-84.3-11.4-174.553.20000114.1A210 A211 N216A210-T214 WeakPolarHBondContact O-CB 2.96Å; A210-T214 VanDerWaalsContact O-CG2 3.29Å; A210-T214 WeakPolarHBondContact O-CG2 3.16Å; A210-T214 PolarHBondContact O-N 2.86Å; A210-T214 PolarHBondContact O-OG1 2.98Å; A211-T214 PolarHBondContact O-OG1 2.78Å; T214-N216 PolarHBondContact O-N 3.19Å; T214-N216 VanDerWaalsContact O-N 3.07Å
215G50.5Low56.9Low70 Ų7066.9 Ų66.972%0.72242%0.415SS*.THydrogen-bonded Turntrans62.413.3-178.700000113.9A211 S217A211-G215 PolarHBondContact O-N 3.12Å; G215-S217 PolarHBondContact O-N 3.04Å
216N54.6Low57.7Low91 Ų9164.4 Ų64.449%0.48741%0.414SS..  trans-88.4107.2-174-164.829.8000109.8T214 A218 A219 Q220T214-N216 PolarHBondContact O-N 3.19Å; T214-N216 VanDerWaalsContact O-N 3.07Å; N216-A218 PolarHBondContact O-N 3.15Å; N216-A219 HydrophobicContact CB-CB 4.29Å; N216-A219 PolarHBondContact O-N 2.62Å; N216-A219 VanDerWaalsContact O-N 3.16Å; N216-Q220 PolarHBondContact O-N 2.79Å
217S57.2Low57.9Low94 Ų9463.7 Ų63.766%0.65740%0.404SS*.Hα-helixtrans-60.2-29.7-174.377.30000113.4G215 Q220 A221G215-S217 PolarHBondContact O-N 3.04Å; S217-Q220 PolarHBondContact O-N 3.38Å; S217-A221 PolarHBondContact O-N 2.86Å
218A59.9Low58.6Low52 Ų5267.8 Ų67.843%0.4342%0.418SS..Hα-helixtrans-65.8-45.3176.800000112.3N216 Q220 A221 E222N216-A218 PolarHBondContact O-N 3.15Å; A218-Q220 PolarHBondContact O-N 3.48Å; A218-A221 PolarHBondContact O-N 2.92Å; A218-A221 VanDerWaalsContact O-N 3.1Å; A218-E222 PolarHBondContact O-N 3.01Å
219A54.6Low59.4Low29 Ų2972.7 Ų72.724%0.2444%0.436CS..Hα-helixtrans-64-32.6176.800000111.5A211 N216 Y223A211-A219 HydrophobicContact CB-CB 3.99Å; N216-A219 HydrophobicContact CB-CB 4.29Å; N216-A219 PolarHBondContact O-N 2.62Å; N216-A219 VanDerWaalsContact O-N 3.16Å; A219-Y223 WeakPolarHBondContact O-CB 3.11Å; A219-Y223 PolarHBondContact O-N 3.08Å
220Q54.1Low60.1Low55 Ų5576.2 Ų76.226%0.25745%0.445SS..Hα-helixtrans-69.6-37.7174.5-15917339.500111.9A211 N216 S217 A218 Y223 Y224A211-Q220 HydrophobicContact CB-CB 4.48Å; N216-Q220 PolarHBondContact O-N 2.79Å; S217-Q220 PolarHBondContact O-N 3.38Å; A218-Q220 PolarHBondContact O-N 3.48Å; Q220-Y223 WeakPolarHBondContact O-CB 3.33Å; Q220-Y223 PolarHBondContact O-N 2.91Å; Q220-Y224 HydrophobicContact CG-CD2 4.26Å; Q220-Y224 HydrophobicContact CG-CE2 4.08Å; Q220-Y224 WeakPolarHBondContact O-CD2 3.37Å; Q220-Y224 PolarHBondContact O-N 3.48Å; Q220-Y224 VanDerWaalsContact O-N 3.11Å
221A60.2Low60.8Low55 Ų5576.6 Ų76.646%0.45544%0.436SS..Hα-helixtrans-67.6-44.2176.100000112.3S217 A218 Y223 Y224 Q225S217-A221 PolarHBondContact O-N 2.86Å; A218-A221 PolarHBondContact O-N 2.92Å; A218-A221 VanDerWaalsContact O-N 3.1Å; A221-Y223 VanDerWaalsContact C-N 3.3Å; A221-Y223 PolarHBondContact O-N 3.47Å; A221-Y224 PolarHBondContact O-N 2.84Å; A221-Q225 PolarHBondContact O-N 3.05Å
222E63.5Low61.4Low137 Ų13782.9 Ų82.964%0.6446%0.464SS*.Hα-helixtrans-59.6-41.5173.8-75.8178.3169.400111.5A218 Y224 Q225 A226A218-E222 PolarHBondContact O-N 3.01Å; E222-Y224 PolarHBondContact O-N 3.38Å; E222-Q225 PolarHBondContact O-N 2.91Å; E222-A226 WeakPolarHBondContact O-CB 3.23Å; E222-A226 PolarHBondContact O-N 3.39Å
223Y60.9Low62.2Low41 Ų4186.5 Ų86.516%0.16147%0.471CS..Hα-helixtrans-58.1-47.2174.1171.3-106.1000112.5P204 A207 A208 A219 Q220 A221 Q225 A226 Y227P204-Y223 HydrophobicContact CB-CE2 3.96Å; P204-Y223 WeakPolarHBondContact O-CE2 3.17Å; A207-Y223 HydrophobicContact CB-CD2 4.19Å; A208-Y223 HydrophobicContact CB-CD1 4.23Å; A208-Y223 HydrophobicContact CB-CD2 4.02Å; A208-Y223 HydrophobicContact CB-CE1 3.76Å; A208-Y223 HydrophobicContact CB-CE2 3.6Å; A208-Y223 HydrophobicContact CB-CG 4.32Å; A219-Y223 WeakPolarHBondContact O-CB 3.11Å; A219-Y223 PolarHBondContact O-N 3.08Å; Q220-Y223 WeakPolarHBondContact O-CB 3.33Å; Q220-Y223 PolarHBondContact O-N 2.91Å; A221-Y223 VanDerWaalsContact C-N 3.3Å; A221-Y223 PolarHBondContact O-N 3.47Å; Y223-Q225 VanDerWaalsContact C-N 3.35Å; Y223-Q225 PolarHBondContact O-N 3.47Å; Y223-A226 PolarHBondContact O-N 2.89Å; Y223-Y227 WeakPolarHBondContact O-CB 3.29Å; Y223-Y227 PolarHBondContact O-N 3.35Å
224Y61.6Low62.9Low48 Ų4885.5 Ų85.519%0.18846%0.455CS..Hα-helixtrans-65-37.1178.1-87.6-74.8000112.4V170 Q220 A221 E222 Y227 Q228V170-Y224 PolarHBondContact O-OH 3.19Å; V170-Y224 VanDerWaalsContact O-OH 3.09Å; Q220-Y224 HydrophobicContact CG-CD2 4.26Å; Q220-Y224 HydrophobicContact CG-CE2 4.08Å; Q220-Y224 WeakPolarHBondContact O-CD2 3.37Å; Q220-Y224 PolarHBondContact O-N 3.48Å; Q220-Y224 VanDerWaalsContact O-N 3.11Å; A221-Y224 PolarHBondContact O-N 2.84Å; E222-Y224 PolarHBondContact O-N 3.38Å; Y224-Y227 PolarHBondContact O-N 3.42Å; Y224-Q228 VanDerWaalsContact O-CG 3.32Å; Y224-Q228 WeakPolarHBondContact O-CG 3.27Å; Y224-Q228 PolarHBondContact O-N 3.49Å
225Q70.1Confident63.4Low130 Ų13087.7 Ų87.761%0.60745%0.454SS*.Hα-helixtrans-64.3-45.6174.2-77.2-174-7.300111.8A221 E222 Y223 Y227 Q228 Q229A221-Q225 PolarHBondContact O-N 3.05Å; E222-Q225 PolarHBondContact O-N 2.91Å; Y223-Q225 VanDerWaalsContact C-N 3.35Å; Y223-Q225 PolarHBondContact O-N 3.47Å; Q225-Y227 VanDerWaalsContact C-N 3.32Å; Q225-Y227 PolarHBondContact O-N 3.22Å; Q225-Q228 PolarHBondContact O-N 2.83Å; Q225-Q229 PolarHBondContact O-N 3.44Å
226A67Low64.4Low52 Ų5287.2 Ų87.243%0.4344%0.443SS..Hα-helixtrans-61.8-41.4176.600000111.6E222 Y223 Q228 Q229 Y230E222-A226 WeakPolarHBondContact O-CB 3.23Å; E222-A226 PolarHBondContact O-N 3.39Å; Y223-A226 PolarHBondContact O-N 2.89Å; A226-Q228 PolarHBondContact O-N 2.96Å; A226-Q229 PolarHBondContact O-N 3.44Å; A226-Y230 PolarHBondContact O-N 2.73Å
227Y64.1Low65Low54 Ų5486 Ų8621%0.21244%0.442CS..Hα-helixtrans-63-40.8176.6-170.5-94.3000112.4Y223 Y224 Q225 Y230 Y231Y223-Y227 WeakPolarHBondContact O-CB 3.29Å; Y223-Y227 PolarHBondContact O-N 3.35Å; Y224-Y227 PolarHBondContact O-N 3.42Å; Q225-Y227 VanDerWaalsContact C-N 3.32Å; Q225-Y227 PolarHBondContact O-N 3.22Å; Y227-Y230 PolarHBondContact O-N 2.5Å; Y227-Y231 HydrophobicContact CD1-CD2 4.13Å; Y227-Y231 AromaticContact CE1-CD2 3.66Å; Y227-Y231 HydrophobicContact CE1-CD2 3.66Å; Y227-Y231 AromaticContact CE1-CE2 3.68Å; Y227-Y231 HydrophobicContact CE1-CE2 3.68Å; Y227-Y231 HydrophobicContact CE2-CD2 4.29Å; Y227-Y231 AromaticContact CE2-CE2 3.89Å; Y227-Y231 HydrophobicContact CE2-CE2 3.89Å; Y227-Y231 AromaticContact CZ-CD2 3.77Å; Y227-Y231 AromaticContact CZ-CE2 3.33Å; Y227-Y231 PolarHBondContact O-N 2.94Å; Y227-Y231 VanDerWaalsContact O-N 3.15Å; Y227-Y231 VanDerWaalsContact OH-CE2 3.23Å; Y227-Y231 WeakPolarHBondContact OH-CE2 3.45Å
228Q68.2Low65.4Low116 Ų11685.8 Ų85.854%0.54243%0.43SS..Hα-helixtrans-63.6-43.2174.3-75.2177-2.100112Y224 Q225 A226 Y231 Q232Y224-Q228 VanDerWaalsContact O-CG 3.32Å; Y224-Q228 WeakPolarHBondContact O-CG 3.27Å; Y224-Q228 PolarHBondContact O-N 3.49Å; Q225-Q228 PolarHBondContact O-N 2.83Å; A226-Q228 PolarHBondContact O-N 2.96Å; Q228-Y231 PolarHBondContact O-N 2.88Å; Q228-Q232 WeakPolarHBondContact O-CG 3.32Å; Q228-Q232 PolarHBondContact O-N 2.85Å
229Q71Confident65.6Low126 Ų12690.9 Ų90.959%0.58944%0.439SS*.Hα-helixtrans-63.9-40.6176.4-73.5-167.4-9.600112.4Q225 A226 Q232 Q233Q225-Q229 PolarHBondContact O-N 3.44Å; A226-Q229 PolarHBondContact O-N 3.44Å; Q229-Q232 PolarHBondContact O-N 3.39Å; Q229-Q233 PolarHBondContact O-N 3.16Å
230Y70.4Confident66.3Low118 Ų11891.6 Ų91.646%0.46345%0.445SS..Hα-helixtrans-58.2-49.6176.4172.5-98.2000111.8A226 Y227 Q232 Q233 Y234A226-Y230 PolarHBondContact O-N 2.73Å; Y227-Y230 PolarHBondContact O-N 2.5Å; Y230-Q232 VanDerWaalsContact C-N 3.34Å; Y230-Q232 PolarHBondContact O-N 3.15Å; Y230-Q233 PolarHBondContact O-N 3.29Å; Y230-Y234 WeakPolarHBondContact O-CB 3.33Å; Y230-Y234 PolarHBondContact O-N 2.67Å
231Y67.6Low66.6Low63 Ų6391.6 Ų91.625%0.24746%0.455CS..Hα-helixtrans-67.5-33.8179.1-97-81.6000112.8Y227 Q228 Y234 Y235Y227-Y231 HydrophobicContact CD1-CD2 4.13Å; Y227-Y231 AromaticContact CE1-CD2 3.66Å; Y227-Y231 HydrophobicContact CE1-CD2 3.66Å; Y227-Y231 AromaticContact CE1-CE2 3.68Å; Y227-Y231 HydrophobicContact CE1-CE2 3.68Å; Y227-Y231 HydrophobicContact CE2-CD2 4.29Å; Y227-Y231 AromaticContact CE2-CE2 3.89Å; Y227-Y231 HydrophobicContact CE2-CE2 3.89Å; Y227-Y231 AromaticContact CZ-CD2 3.77Å; Y227-Y231 AromaticContact CZ-CE2 3.33Å; Y227-Y231 PolarHBondContact O-N 2.94Å; Y227-Y231 VanDerWaalsContact O-N 3.15Å; Y227-Y231 VanDerWaalsContact OH-CE2 3.23Å; Y227-Y231 WeakPolarHBondContact OH-CE2 3.45Å; Q228-Y231 PolarHBondContact O-N 2.88Å; Y231-Y234 PolarHBondContact O-N 2.86Å; Y231-Y235 HydrophobicContact CD1-CD2 4.23Å; Y231-Y235 AromaticContact CD1-CE2 3.67Å; Y231-Y235 HydrophobicContact CD1-CE2 3.67Å; Y231-Y235 HydrophobicContact CE1-CE2 4.38Å; Y231-Y235 WeakPolarHBondContact O-CD2 3.4Å; Y231-Y235 PolarHBondContact O-N 2.99Å
232Q69.5Low66.4Low137 Ų13795.4 Ų95.464%0.6446%0.463SS*.Hα-helixtrans-61.7-45172.3-75.5-17729.500111.6Q228 Q229 Y230 A236Q228-Q232 WeakPolarHBondContact O-CG 3.32Å; Q228-Q232 PolarHBondContact O-N 2.85Å; Q229-Q232 PolarHBondContact O-N 3.39Å; Y230-Q232 VanDerWaalsContact C-N 3.34Å; Y230-Q232 PolarHBondContact O-N 3.15Å; Q232-A236 WeakPolarHBondContact O-CB 3.37Å; Q232-A236 PolarHBondContact O-N 3.28Å
233Q69.7Low66Low133 Ų13395.4 Ų95.462%0.62146%0.462SS*.Hα-helixtrans-65.6-39.3175.8-75.3179.8800112.4Q229 Y230 A236 S237Q229-Q233 PolarHBondContact O-N 3.16Å; Y230-Q233 PolarHBondContact O-N 3.29Å; Q233-A236 PolarHBondContact O-N 2.95Å; Q233-S237 WeakPolarHBondContact O-CB 3.38Å; Q233-S237 PolarHBondContact O-N 3.12Å; Q233-S237 PolarHBondContact O-OG 2.85Å
234Y69.5Low65.8Low101 Ų101101.9 Ų101.940%0.39649%0.487SS..Hα-helixtrans-62.4-47.6177.4-179.8-93.6000112.1Y230 Y231 A236 S237 Q238Y230-Y234 WeakPolarHBondContact O-CB 3.33Å; Y230-Y234 PolarHBondContact O-N 2.67Å; Y231-Y234 PolarHBondContact O-N 2.86Å; Y234-A236 VanDerWaalsContact C-N 3.35Å; Y234-S237 PolarHBondContact O-N 3.3Å; Y234-S237 PolarHBondContact O-OG 2.81Å; Y234-Q238 HydrophobicContact CD1-CG 4.43Å; Y234-Q238 HydrophobicContact CE1-CG 4.03Å; Y234-Q238 VanDerWaalsContact O-CG 3.29Å; Y234-Q238 WeakPolarHBondContact O-CG 3.42Å; Y234-Q238 PolarHBondContact O-N 3.39Å; Y234-Q238 VanDerWaalsContact O-N 3.11Å; Y234-Q238 PolarHBondContact OH-NE2 3.38Å
235Y67.8Low65.2Low140 Ų140103.6 Ų103.655%0.54951%0.506SS..Hα-helixtrans-68-36.5176-76.2-63.3000112Y231 Q238 Y239Y231-Y235 HydrophobicContact CD1-CD2 4.23Å; Y231-Y235 AromaticContact CD1-CE2 3.67Å; Y231-Y235 HydrophobicContact CD1-CE2 3.67Å; Y231-Y235 HydrophobicContact CE1-CE2 4.38Å; Y231-Y235 WeakPolarHBondContact O-CD2 3.4Å; Y231-Y235 PolarHBondContact O-N 2.99Å; Y235-Q238 PolarHBondContact O-N 3.29Å; Y235-Y239 WeakPolarHBondContact O-CB 3.43Å; Y235-Y239 PolarHBondContact O-N 2.85Å
236A70.2Confident63.8Low59 Ų59101.5 Ų101.549%0.48851%0.506SS..Hα-helixtrans-63.1-41.2175.300000112.4Q232 Q233 Y234 Y239 A240Q232-A236 WeakPolarHBondContact O-CB 3.37Å; Q232-A236 PolarHBondContact O-N 3.28Å; Q233-A236 PolarHBondContact O-N 2.95Å; Y234-A236 VanDerWaalsContact C-N 3.35Å; A236-Y239 PolarHBondContact O-N 2.82Å; A236-A240 WeakPolarHBondContact O-CB 3.45Å; A236-A240 PolarHBondContact O-N 2.93Å
237S67.9Low62.5Low67 Ų67106.7 Ų106.747%0.46952%0.521SS..Hα-helixtrans-69.4-37.6178.469.20000112Q233 Y234 A240 A241Q233-S237 WeakPolarHBondContact O-CB 3.38Å; Q233-S237 PolarHBondContact O-N 3.12Å; Q233-S237 PolarHBondContact O-OG 2.85Å; Y234-S237 PolarHBondContact O-N 3.3Å; Y234-S237 PolarHBondContact O-OG 2.81Å; S237-A240 PolarHBondContact O-N 3.49Å; S237-A241 WeakPolarHBondContact O-CB 3.28Å; S237-A241 PolarHBondContact O-N 2.89Å
238Q65.3Low61.4Low89 Ų89109.2 Ų109.242%0.41655%0.546SS..Hα-helixtrans-65-40.7173.1-67.6-75.345.100111.9Y234 Y235 A241 Q242Y234-Q238 HydrophobicContact CD1-CG 4.43Å; Y234-Q238 HydrophobicContact CE1-CG 4.03Å; Y234-Q238 VanDerWaalsContact O-CG 3.29Å; Y234-Q238 WeakPolarHBondContact O-CG 3.42Å; Y234-Q238 PolarHBondContact O-N 3.39Å; Y234-Q238 VanDerWaalsContact O-N 3.11Å; Y234-Q238 PolarHBondContact OH-NE2 3.38Å; Y235-Q238 PolarHBondContact O-N 3.29Å; Q238-A241 PolarHBondContact O-N 2.84Å; Q238-Q242 WeakPolarHBondContact O-CG 3.39Å; Q238-Q242 PolarHBondContact O-N 2.75Å; Q238-Q242 VanDerWaalsContact O-N 3.08Å
239Y64.8Low59.8Low158 Ų158108.1 Ų108.162%0.6255%0.551SS**Hα-helixtrans-66.3-42.1175.6-129.5-89.4000111.9Y235 A236 Q242 F243Y235-Y239 WeakPolarHBondContact O-CB 3.43Å; Y235-Y239 PolarHBondContact O-N 2.85Å; A236-Y239 PolarHBondContact O-N 2.82Å; Y239-Q242 PolarHBondContact O-N 2.99Å; Y239-F243 HydrophobicContact CD1-CD2 4.04Å; Y239-F243 HydrophobicContact CD1-CE2 4.29Å; Y239-F243 HydrophobicContact CE1-CD2 4.18Å; Y239-F243 AromaticContact CE1-CE2 3.98Å; Y239-F243 HydrophobicContact CE1-CE2 3.98Å; Y239-F243 PolarHBondContact O-N 3.24Å
240A68.1Low58.2Low44 Ų44107.9 Ų107.936%0.36456%0.559SS.*Hα-helixtrans-63.7-42.2175.700000111.5A236 S237 Q242 F243 Y244A236-A240 WeakPolarHBondContact O-CB 3.45Å; A236-A240 PolarHBondContact O-N 2.93Å; S237-A240 PolarHBondContact O-N 3.49Å; A240-Q242 VanDerWaalsContact C-N 3.3Å; A240-Q242 PolarHBondContact O-N 3.16Å; A240-F243 PolarHBondContact O-N 3.3Å; A240-Y244 HydrophobicContact CB-CD2 4.47Å; A240-Y244 WeakPolarHBondContact O-CB 3.13Å; A240-Y244 WeakPolarHBondContact O-CD2 3.32Å; A240-Y244 PolarHBondContact O-N 2.97Å
241A61.8Low56.6Low55 Ų55110 Ų11046%0.45558%0.579SS.*Hα-helixtrans-61.4-37.6175.500000111.8S237 Q238 S245S237-A241 WeakPolarHBondContact O-CB 3.28Å; S237-A241 PolarHBondContact O-N 2.89Å; Q238-A241 PolarHBondContact O-N 2.84Å; A241-S245 WeakPolarHBondContact O-CB 3.48Å; A241-S245 PolarHBondContact O-N 2.94Å; A241-S245 PolarHBondContact O-OG 3.31Å
242Q55.5Low55Low136 Ų136110.3 Ų110.364%0.63660%0.6SS**Hα-helixtrans-71.8-39.5175.8-74.1-178.14.100113.3Q238 Y239 A240 S245Q238-Q242 WeakPolarHBondContact O-CG 3.39Å; Q238-Q242 PolarHBondContact O-N 2.75Å; Q238-Q242 VanDerWaalsContact O-N 3.08Å; Y239-Q242 PolarHBondContact O-N 2.99Å; A240-Q242 VanDerWaalsContact C-N 3.3Å; A240-Q242 PolarHBondContact O-N 3.16Å; Q242-S245 PolarHBondContact O-OG 2.8Å
243F55.4Low53.3Low137 Ų137111.3 Ų111.360%0.60161%0.61SS**Hα-helixtrans-69.3-45.3178.8-109.7-92.2000112.1Y239 A240 S246Y239-F243 HydrophobicContact CD1-CD2 4.04Å; Y239-F243 HydrophobicContact CD1-CE2 4.29Å; Y239-F243 HydrophobicContact CE1-CD2 4.18Å; Y239-F243 AromaticContact CE1-CE2 3.98Å; Y239-F243 HydrophobicContact CE1-CE2 3.98Å; Y239-F243 PolarHBondContact O-N 3.24Å; A240-F243 PolarHBondContact O-N 3.3Å; F243-S246 PolarHBondContact O-OG 3.36Å; F243-S246 VanDerWaalsContact O-OG 3.11Å
244Y55.8Low51.9Low177 Ų177110.8 Ų110.869%0.69462%0.621SS**Hα-helixtrans-90.5-6.1-174.8-68-72.1000114.6A240 S246A240-Y244 HydrophobicContact CB-CD2 4.47Å; A240-Y244 WeakPolarHBondContact O-CB 3.13Å; A240-Y244 WeakPolarHBondContact O-CD2 3.32Å; A240-Y244 PolarHBondContact O-N 2.97Å; Y244-S246 PolarHBondContact O-N 3.36Å
245S49.9Very low50.5Low83 Ų83110.6 Ų110.658%0.5864%0.641SS**THydrogen-bonded Turntrans-77.5-4.7170.554.30000113.8A241 Q242A241-S245 WeakPolarHBondContact O-CB 3.48Å; A241-S245 PolarHBondContact O-N 2.94Å; A241-S245 PolarHBondContact O-OG 3.31Å; Q242-S245 PolarHBondContact O-OG 2.8Å
246S41.4Very low49Very low87 Ų87110.8 Ų110.861%0.60865%0.651SS**THydrogen-bonded Turntrans-104.51.3-176.569.60000116F243 Y244F243-S246 PolarHBondContact O-OG 3.36Å; F243-S246 VanDerWaalsContact O-OG 3.11Å; Y244-S246 PolarHBondContact O-N 3.36Å
247E39.6Very low47.8Very low160 Ų160113 Ų11375%0.74866%0.663SS**SBendtrans-103.711.1-179.3-90.8177.8131.300115.5
248S40.7Very low46.3Very low107 Ų107112.9 Ų112.975%0.74867%0.672SS**SBendtrans-113.251.1177.164.70000113.4
249S33.9Very low45Very low93 Ų93116.4 Ų116.465%0.6569%0.692SS**  trans-152.4128.3162.556.60000112.3
250T36.5Very low43.8Very low122 Ų122114.6 Ų114.675%0.74870%0.698SS**  trans96.5124.2166.674.50000118.8
251N37.4Very low42.1Very low163 Ų163117.3 Ų117.387%0.87271%0.714SS**  trans79.8119166.2-47.8-35.4000115.6
252G35.3Very low40.9Very low68 Ų68122.7 Ų122.770%0.70173%0.734SS**  cis165.7137.79.200000106.9
253D33.2Very low39.9Very low158 Ų158121 Ų12185%0.84574%0.743SS**  trans25.3111.3155.6-61.6-28.9000119.4
254S39.6Very low38.9Very low123 Ų123118.2 Ų118.286%0.8675%0.752SS**  -176.7133.8109.8-80.20000111.9
255A39.6Very low37.7Very low97 Ų97114 Ų11480%0.80276%0.763SS**  trans-43.6146.9173.400000113.9
256N38.2Very low36.8Very low144 Ų144113.2 Ų113.277%0.7777%0.768SS**  177.6135.693.4-16415.1000112.5
257S44.1Very low36.2Very low105 Ų105115.4 Ų115.473%0.73478%0.778SS**  trans63.3112.2153.2-66.20000117
258G36.7Very low36Very low65 Ų65115 Ų11567%0.6778%0.78SS**  cis133.913548.800000104.4
259I36.5Very low35.7Very low162 Ų162116.7 Ų116.783%0.83179%0.786SS**  178.5117.490.2-78.9151.5000107.2
260T39.8Very low35.5Very low120 Ų120115.3 Ų115.374%0.73679%0.786SS**  trans36.2116.9145.756.10000124.3
261S33.3Very low35.4Very low101 Ų101116.5 Ų116.571%0.70679%0.788SS**  6.8139.5124.260.90000121.4
262I35.7Very low35.3Very low169 Ų169112.6 Ų112.687%0.86778%0.779SS**  -164.6136.6110.4-98.3160.1000110.9
263A34.4Very low35.6Very low100 Ų100115.2 Ų115.283%0.82678%0.781SS**  trans-85.8160.1-17900000112.9
264G34.8Very low36.1Very low78 Ų78112.5 Ų112.580%0.80477%0.77SS**  trans145.691152.600000116.6
265G31Very low36Very low88 Ų88114 Ų11491%0.90776%0.763SS**  trans50122.4135.700000121.7
266G30.3Very low35.9Very low68 Ų68117.4 Ų117.470%0.70176%0.762SS**  trans124.7103.7141.700000116.4
267T30.6Very low36Very low132 Ų132117.9 Ų117.981%0.8176%0.76SS**  trans57133.2140-19.50000120.3
268L33.6Very low35.6Very low152 Ų152115.7 Ų115.780%0.79675%0.748SS**  trans95.3113158.3-54.5172.4000117.8
269V34.4Very low35.7Very low143 Ų143120.9 Ų120.987%0.86775%0.753SS**  trans58.4121.9133.2-167.40000118.9
270G31.4Very low36.1Very low64 Ų64118 Ų11866%0.6674%0.743SS**  trans114.4112.6140.200000116.8
271D32.7Very low36.4Very low147 Ų147117.3 Ų117.379%0.78673%0.734SS**  trans54.190.4130.1-147.414.3000118
272A35.9Very low37.1Very low81 Ų81114.9 Ų114.967%0.66972%0.72SS**  trans-148.42.9170.300000115.7
273T40.8Very low37.8Very low123 Ų123109.5 Ų109.576%0.75570%0.701SS**SBendtrans-95.3-3.5-178.147.50000114.5
274V43.7Very low38.4Very low101 Ų101107.5 Ų107.561%0.61268%0.684SS**Hα-helixtrans-86.3-24.9-175.1-1790000113.2
275Q39.3Very low39.1Very low155 Ų155107.2 Ų107.272%0.72467%0.67SS**Hα-helixtrans-81.6-24.3-173.3-87.7163.2-37.300115.3
276Q37.3Very low40.2Very low167 Ų167109.9 Ų109.978%0.7866%0.659SS**Hα-helixtrans-73.7-34.9177.6-93.4-179.9-19.600112.6V280Q276-V280 WeakPolarHBondContact O-CG2 3.31Å
277H38.8Very low41.2Very low154 Ų154112.5 Ų112.571%0.71366%0.656SS**Hα-helixtrans-73.5-30.5177.7-86.7-91.3000113.1F279 V280 D281H277-F279 VanDerWaalsContact C-N 3.32Å; H277-F279 PolarHBondContact O-N 2.87Å; H277-V280 PolarHBondContact O-N 2.68Å; H277-D281 PolarHBondContact O-N 3.25Å
278A37.3Very low42Very low60 Ų60114.1 Ų114.150%0.49665%0.648SS.*Hα-helixtrans-67.6-29177.700000113.6A282A278-A282 PolarHBondContact O-N 2.98Å
279F38Very low42.9Very low174 Ų174109 Ų10976%0.76363%0.629SS**Hα-helixtrans-75-32.6179.6-120-86.6000112.8H277 A283H277-F279 VanDerWaalsContact C-N 3.32Å; H277-F279 PolarHBondContact O-N 2.87Å; F279-A283 PolarHBondContact O-N 3.15Å
280V44.3Very low43.7Very low102 Ų102110 Ų11062%0.61862%0.617SS**Hα-helixtrans-73.3-35.3176.7-1620000110.5Q276 H277 A283 A284Q276-V280 WeakPolarHBondContact O-CG2 3.31Å; H277-V280 PolarHBondContact O-N 2.68Å; V280-A283 PolarHBondContact O-N 3.04Å; V280-A284 PolarHBondContact O-N 3.35Å; V280-A284 VanDerWaalsContact O-N 3.12Å
281D47.4Very low44.5Very low105 Ų105110.2 Ų110.256%0.56161%0.612SS**Hα-helixtrans-69.1-36.4179.7-140.84000112.4H277 S285H277-D281 PolarHBondContact O-N 3.25Å; D281-S285 VanDerWaalsContact O-CB 3.32Å; D281-S285 WeakPolarHBondContact O-CB 3.23Å; D281-S285 PolarHBondContact O-N 3.38Å; D281-S285 VanDerWaalsContact O-N 3.08Å; D281-S285 PolarHBondContact O-OG 3.39Å
282A47.5Very low45.3Very low50 Ų50109.1 Ų109.141%0.41361%0.605SS.*Hα-helixtrans-68.3-38.8174.500000112.8A278 H286A278-A282 PolarHBondContact O-N 2.98Å; A282-H286 PolarHBondContact O-CD2 2.98Å; A282-H286 PolarHBondContact O-N 3.42Å; A282-H286 VanDerWaalsContact O-N 3.07Å
283A50.2Low45.7Very low56 Ų56112.2 Ų112.246%0.46361%0.606SS.*Hα-helixtrans-69.4-40.2179.100000112.2F279 V280 H286 L287F279-A283 PolarHBondContact O-N 3.15Å; V280-A283 PolarHBondContact O-N 3.04Å; A283-H286 PolarHBondContact O-N 2.85Å; A283-L287 PolarHBondContact O-N 2.97Å; A283-L287 VanDerWaalsContact O-N 3.15Å
284A47.2Very low45.8Very low57 Ų57113.2 Ų113.247%0.47160%0.602SS.*Hα-helixtrans-66.9-41.1176.400000112V280 H286 L287 Y288V280-A284 PolarHBondContact O-N 3.35Å; V280-A284 VanDerWaalsContact O-N 3.12Å; A284-H286 PolarHBondContact O-N 3.38Å; A284-L287 PolarHBondContact O-N 3.48Å; A284-Y288 PolarHBondContact O-N 3.24Å; A284-Y288 VanDerWaalsContact O-N 3.14Å
285S50.4Low45.5Very low72 Ų72111.7 Ų111.750%0.50361%0.607SS.*Hα-helixtrans-63.5-39.1175.9-61.50000112.5D281 A289D281-S285 VanDerWaalsContact O-CB 3.32Å; D281-S285 WeakPolarHBondContact O-CB 3.23Å; D281-S285 PolarHBondContact O-N 3.38Å; D281-S285 VanDerWaalsContact O-N 3.08Å; D281-S285 PolarHBondContact O-OG 3.39Å; S285-A289 WeakPolarHBondContact O-CB 3.35Å; S285-A289 PolarHBondContact O-N 3.45Å; S285-A289 VanDerWaalsContact O-N 3.07Å
286H52.1Low45.3Very low144 Ų144110.3 Ų110.367%0.66761%0.609SS**Hα-helixtrans-68.7-35.8176.3-94.8-74.3000113.2A282 A283 A284 R290A282-H286 PolarHBondContact O-CD2 2.98Å; A282-H286 PolarHBondContact O-N 3.42Å; A282-H286 VanDerWaalsContact O-N 3.07Å; A283-H286 PolarHBondContact O-N 2.85Å; A284-H286 PolarHBondContact O-N 3.38Å; H286-R290 WeakPolarHBondContact O-CB 3.36Å; H286-R290 PolarHBondContact O-N 3.16Å
287L52.6Low45Very low124 Ų124105.4 Ų105.465%0.64960%0.603SS**Hα-helixtrans-68.7-40.2177.4-79164.3000112A283 A284 R290 A291A283-L287 PolarHBondContact O-N 2.97Å; A283-L287 VanDerWaalsContact O-N 3.15Å; A284-L287 PolarHBondContact O-N 3.48Å; L287-R290 PolarHBondContact O-N 3.12Å; L287-A291 PolarHBondContact O-N 2.75Å
288Y46.4Very low44.5Very low165 Ų165103.7 Ų103.765%0.64761%0.609SS**Hα-helixtrans-65.7-42.5174.8-170.7-101.9000112.1A284 R290 A291 L292A284-Y288 PolarHBondContact O-N 3.24Å; A284-Y288 VanDerWaalsContact O-N 3.14Å; Y288-R290 VanDerWaalsContact C-N 3.3Å; Y288-R290 PolarHBondContact O-N 2.93Å; Y288-A291 PolarHBondContact O-N 3.2Å; Y288-L292 HydrophobicContact CD1-CD1 3.95Å; Y288-L292 HydrophobicContact CE1-CD1 3.56Å; Y288-L292 PolarHBondContact O-N 3.23Å
289A53.8Low44.3Very low46 Ų46110 Ų11038%0.3863%0.628SS.*Hα-helixtrans-63.8-33.8174.800000112.8S285 Q293S285-A289 WeakPolarHBondContact O-CB 3.35Å; S285-A289 PolarHBondContact O-N 3.45Å; S285-A289 VanDerWaalsContact O-N 3.07Å; A289-Q293 PolarHBondContact O-N 3.04Å
290R50.4Low43.8Very low163 Ų163111.1 Ų111.162%0.61564%0.635SS**Hα-helixtrans-74.7-33.8177.4-151.2179.1-165.5160.42.3112.5H286 L287 Y288 L292 Q293 Q294H286-R290 WeakPolarHBondContact O-CB 3.36Å; H286-R290 PolarHBondContact O-N 3.16Å; L287-R290 PolarHBondContact O-N 3.12Å; Y288-R290 VanDerWaalsContact C-N 3.3Å; Y288-R290 PolarHBondContact O-N 2.93Å; R290-L292 VanDerWaalsContact C-N 3.32Å; R290-Q293 PolarHBondContact O-N 2.76Å; R290-Q294 WeakPolarHBondContact O-CG 3.37Å; R290-Q294 PolarHBondContact O-N 2.97Å; R290-Q294 VanDerWaalsContact O-N 3.14Å
291A47.8Very low43.2Very low68 Ų68115.8 Ų115.856%0.56264%0.643SS**Hα-helixtrans-65.6-35.2174.200000112.1L287 Y288L287-A291 PolarHBondContact O-N 2.75Å; Y288-A291 PolarHBondContact O-N 3.2Å
292L49.4Very low42.4Very low124 Ų124114.8 Ų114.865%0.64965%0.65SS**Hα-helixtrans-70.8-28.3172.8-87.7153.1000113.4Y288 R290Y288-L292 HydrophobicContact CD1-CD1 3.95Å; Y288-L292 HydrophobicContact CE1-CD1 3.56Å; Y288-L292 PolarHBondContact O-N 3.23Å; R290-L292 VanDerWaalsContact C-N 3.32Å
293Q45.8Very low42.1Very low147 Ų147117.3 Ų117.369%0.68766%0.662SS**Hα-helixtrans-85.5-14.8177.7-76.3-178.44.300114.4A289 R290A289-Q293 PolarHBondContact O-N 3.04Å; R290-Q293 PolarHBondContact O-N 2.76Å
294Q43Very low41.2Very low143 Ų143122.9 Ų122.967%0.66868%0.679SS**SBendtrans-94.42179.5-71.2-176.98.100113.9R290 T296R290-Q294 WeakPolarHBondContact O-CG 3.37Å; R290-Q294 PolarHBondContact O-N 2.97Å; R290-Q294 VanDerWaalsContact O-N 3.14Å; Q294-T296 PolarHBondContact O-N 3.5Å
295G37.3Very low40.6Very low69 Ų69124.5 Ų124.571%0.71168%0.684SS**  trans-82.636.1165.600000113.4G297G295-G297 PolarHBondContact O-N 2.84Å
296T34.1Very low39.7Very low127 Ų127129.2 Ų129.278%0.77970%0.698SS**  trans-91.584.2174.354.90000109.8Q294Q294-T296 PolarHBondContact O-N 3.5Å
297G32.1Very low38.9Very low63 Ų63128.9 Ų128.965%0.64971%0.706SS**  trans-140.775.8171.900000109.3G295 Q299G295-G297 PolarHBondContact O-N 2.84Å; G297-Q299 PolarHBondContact O-N 2.85Å
298S28.3Very low37.8Very low119 Ų119131 Ų13183%0.83272%0.717SS**  trans20.594.4151.754.80000117.8
299Q31.5Very low37Very low191 Ų191128 Ų12889%0.89372%0.72SS**  trans-160106134.1-123.9175.4-10.500110.4G297 Y301G297-Q299 PolarHBondContact O-N 2.85Å; Q299-Y301 PolarHBondContact O-N 2.88Å
300E28Very low35.8Very low198 Ų198131 Ų13193%0.92574%0.738SS**  trans-64.8109.9169.7-173168.5179.100108.7
301Y30.9Very low35.1Very low200 Ų200128.3 Ų128.378%0.78475%0.751SS**  trans-133.592.3169.1-168.1-96.4000109.1Q299 P303Q299-Y301 PolarHBondContact O-N 2.88Å; Y301-P303 HydrophobicContact CE1-CB 4.35Å
302A31.9Very low34.2Very low85 Ų85130.6 Ų130.670%0.70276%0.761SS**PPolyproline II helixtrans-89.4124.116400000108.3
303P40.2Very low33.3Very low103 Ų103131.7 Ų131.767%0.66977%0.768SS**PPolyproline II helixtrans-88123.516031.1-23000108.5Y301Y301-P303 HydrophobicContact CE1-CB 4.35Å
304E32.3Very low32.5Very low173 Ų173135.6 Ų135.681%0.80878%0.776SS**PPolyproline II helixtrans-56.9150.5-177-67.8-136.1130.800114.3
305P34.1Very low32.2Very low91 Ų91134.6 Ų134.659%0.59178%0.782SS**SBendtrans-68.8149.8161.233.4-29.8000107.8
306H30.6Very low32.2Very low170 Ų170142.5 Ų142.579%0.78779%0.791SS**  trans89.171.2178.5-37.4-62000116.5
307V36.4Very low32.1Very low138 Ų138143.7 Ų143.784%0.83679%0.787SS**  trans-120.986.4142.2-161.50000108.6S309V307-S309 PolarHBondContact O-N 3.29Å
308L29Very low32.3Very low168 Ų168145.4 Ų145.488%0.8879%0.785SS**  trans-71.9111.4155.5-78.2161.6000107.3
309S30.8Very low32.7Very low101 Ų101145.6 Ų145.671%0.70678%0.776SS**  trans-162.8101.7151.8-138.70000111.9V307V307-S309 PolarHBondContact O-N 3.29Å
310S28.6Very low33Very low110 Ų110141.3 Ų141.377%0.76976%0.76SS**  trans29.5101.1141.454.80000118.5
311A34.1Very low33.7Very low106 Ų106138.9 Ų138.988%0.87675%0.752SS**  trans-145.759.4143.800000109.9
312C29.4Very low34.1Very low116 Ų116134.8 Ų134.878%0.78474%0.744SS**  trans-67153.4147.9-73.50000108.6
313D30.1Very low34.7Very low148 Ų148137.3 Ų137.379%0.79174%0.741SS**  trans79.489.4162.7-68.4-42.2000119.3
314R30.6Very low34.9Very low228 Ų228136.1 Ų136.186%0.8673%0.732SS**  168.2142.3100-93.5173.3-174.4161.33111.3R316R314-R316 PolarHBondContact O-N 2.76Å
315P35.7Very low35.4Very low122 Ų122134.4 Ų134.479%0.79272%0.722SS**  trans-66.3123.7166.123.6-19.4000108.1H317P315-H317 PolarHBondContact O-N 3.31Å; P315-H317 VanDerWaalsContact O-N 3.12Å
316R36.8Very low35.8Very low236 Ų236135 Ų13589%0.89172%0.72SS**  trans-64.7113.3168.9-79.7-170.5171.8-174.9-2107.8R314 V318R314-R316 PolarHBondContact O-N 2.76Å; R316-V318 PolarHBondContact O-N 2.83Å
317H32.1Very low36.4Very low151 Ų151134.2 Ų134.270%0.69972%0.715SS**  trans-64.2112.1167.6-161.9-98.2000107.1P315 D319P315-H317 PolarHBondContact O-N 3.31Å; P315-H317 VanDerWaalsContact O-N 3.12Å; H317-D319 IonicContact CE1-OD1 3.93Å; H317-D319 PolarHBondContact CE1-OD1 2.8Å; H317-D319 IonicContact CE1-OD2 3.66Å; H317-D319 PolarHBondContact CE1-OD2 3.22Å; H317-D319 VanDerWaalsContact CE1-OD2 3.29Å; H317-D319 IonicContact CG-OD2 3.77Å; H317-D319 IonicContact ND1-OD1 2.8Å; H317-D319 PolarHBondContact ND1-OD1 3.03Å; H317-D319 IonicContact ND1-OD2 2.84Å; H317-D319 PolarHBondContact ND1-OD2 2.72Å; H317-D319 PolarHBondContact O-N 2.96Å
318V37.5Very low36.7Very low100 Ų100133.5 Ų133.561%0.60671%0.706SS**  trans-90.284.6176.1-164.10000106.5R316 D320R316-V318 PolarHBondContact O-N 2.83Å; V318-D320 PolarHBondContact O-N 3.35Å; V318-D320 VanDerWaalsContact O-N 3.15Å
319D35.6Very low37.3Very low122 Ų122131.4 Ų131.465%0.65269%0.692SS**  trans-77.868.3167.9-77.5-50.8000109.6H317H317-D319 IonicContact CE1-OD1 3.93Å; H317-D319 PolarHBondContact CE1-OD1 2.8Å; H317-D319 IonicContact CE1-OD2 3.66Å; H317-D319 PolarHBondContact CE1-OD2 3.22Å; H317-D319 VanDerWaalsContact CE1-OD2 3.29Å; H317-D319 IonicContact CG-OD2 3.77Å; H317-D319 IonicContact ND1-OD1 2.8Å; H317-D319 PolarHBondContact ND1-OD1 3.03Å; H317-D319 IonicContact ND1-OD2 2.84Å; H317-D319 PolarHBondContact ND1-OD2 2.72Å; H317-D319 PolarHBondContact O-N 2.96Å
320D38.6Very low37.8Very low101 Ų101130.6 Ų130.654%0.5469%0.686SS.*  trans-177.5114.2150.6-108.9-29.9000109.9V318 D322 E323V318-D320 PolarHBondContact O-N 3.35Å; V318-D320 VanDerWaalsContact O-N 3.15Å; D320-D322 PolarHBondContact O-N 3.07Å; D320-E323 PolarHBondContact O-N 3Å
321L41.5Very low38.3Very low147 Ų147130 Ų13077%0.7768%0.682SS**Hα-helixtrans-65.3-14.1173.5-76.8166.8000112.3
322D41Very low38.3Very low114 Ų114134 Ų13461%0.6167%0.674SS**Hα-helixtrans-81.2-19.1-178.7-66.7-23.8000113.2D320 N326D320-D322 PolarHBondContact O-N 3.07Å; D322-N326 PolarHBondContact O-N 3.1Å; D322-N326 PolarHBondContact O-ND2 2.74Å
323E44.1Very low39Very low138 Ų138139.3 Ų139.365%0.64568%0.678SS**Hα-helixtrans-82.6-29.9177.3-153.2175.5-165.600112D320 N326 F327D320-E323 PolarHBondContact O-N 3Å; E323-N326 PolarHBondContact O-N 3.44Å; E323-F327 PolarHBondContact O-N 3.23Å
324V44.8Very low39.5Very low78 Ų78141 Ų14147%0.47368%0.68SS.*Hα-helixtrans-70.9-33.9173.5-179.40000111.3F327 L328V324-F327 PolarHBondContact O-N 2.77Å; V324-L328 HydrophobicContact CG1-CD1 4.16Å; V324-L328 PolarHBondContact O-N 3.49Å; V324-L328 VanDerWaalsContact O-N 3.17Å
325F42.5Very low39.9Very low137 Ų137135.1 Ų135.160%0.60167%0.669SS**Hα-helixtrans-69.5-37.9175.4-113.2-91000112.2F327 L328 E329F325-F327 PolarHBondContact O-N 2.91Å; F325-L328 PolarHBondContact O-N 2.93Å; F325-E329 WeakPolarHBondContact O-CB 3.34Å; F325-E329 WeakPolarHBondContact O-CG 3.35Å; F325-E329 PolarHBondContact O-N 3.28Å
326N43.1Very low40Very low105 Ų105135.6 Ų135.656%0.56167%0.67SS**Hα-helixtrans-69.7-30175.6-82-61.6000113.4D322 E323 S330D322-N326 PolarHBondContact O-N 3.1Å; D322-N326 PolarHBondContact O-ND2 2.74Å; E323-N326 PolarHBondContact O-N 3.44Å; N326-S330 VanDerWaalsContact O-CB 3.32Å; N326-S330 WeakPolarHBondContact O-CB 3.41Å; N326-S330 PolarHBondContact O-N 3.01Å; N326-S330 VanDerWaalsContact O-N 3.08Å; N326-S330 PolarHBondContact O-OG 2.93Å
327F42.5Very low40.2Very low152 Ų152129.5 Ų129.567%0.66766%0.656SS**Hα-helixtrans-73.8-34.9173.8-171.4-100.4000112.8E323 V324 F325 S330 S331E323-F327 PolarHBondContact O-N 3.23Å; V324-F327 PolarHBondContact O-N 2.77Å; F325-F327 PolarHBondContact O-N 2.91Å; F327-S330 WeakPolarHBondContact CA-OG 3.44Å; F327-S330 PolarHBondContact O-OG 3Å; F327-S331 PolarHBondContact O-OG 3.16Å
328L41.7Very low40.9Very low124 Ų124128.8 Ų128.865%0.64966%0.664SS**Hα-helixtrans-75.1-30.5174.5-85.3157.4000112.8V324 F325V324-L328 HydrophobicContact CG1-CD1 4.16Å; V324-L328 PolarHBondContact O-N 3.49Å; V324-L328 VanDerWaalsContact O-N 3.17Å; F325-L328 PolarHBondContact O-N 2.93Å
329E42.3Very low41.7Very low124 Ų124128 Ų12858%0.57966%0.663SS**Hα-helixtrans-80.5-25.6175.3-77.1-173.8152.900113.8F325 S331 R332F325-E329 WeakPolarHBondContact O-CB 3.34Å; F325-E329 WeakPolarHBondContact O-CG 3.35Å; F325-E329 PolarHBondContact O-N 3.28Å; E329-S331 VanDerWaalsContact C-N 3.29Å; E329-S331 PolarHBondContact O-N 2.96Å; E329-R332 PolarHBondContact O-N 3.04Å
330S41.7Very low42.1Very low84 Ų84129.1 Ų129.159%0.58767%0.669SS**THydrogen-bonded Turntrans-79.9-4.8174.649.60000114.5N326 F327N326-S330 VanDerWaalsContact O-CB 3.32Å; N326-S330 WeakPolarHBondContact O-CB 3.41Å; N326-S330 PolarHBondContact O-N 3.01Å; N326-S330 VanDerWaalsContact O-N 3.08Å; N326-S330 PolarHBondContact O-OG 2.93Å; F327-S330 WeakPolarHBondContact CA-OG 3.44Å; F327-S330 PolarHBondContact O-OG 3Å
331S38.7Very low42.3Very low97 Ų97128.4 Ų128.468%0.67869%0.685SS**THydrogen-bonded Turntrans-95.18.7171.5-61.20000113.5F327 E329F327-S331 PolarHBondContact O-OG 3.16Å; E329-S331 VanDerWaalsContact C-N 3.29Å; E329-S331 PolarHBondContact O-N 2.96Å
332R35.3Very low42.3Very low191 Ų191129 Ų12972%0.72169%0.688SS**SBendtrans-97.8135.9167.5-153.4168.3-178.4156.3-0.7105.9E329E329-R332 PolarHBondContact O-N 3.04Å
333W42.5Very low42.4Very low227 Ų227133.2 Ų133.286%0.8670%0.701SS**  trans95.795.8-178.9-48.1109.3000116.7
334H40.6Very low42.7Very low183 Ų183133.5 Ų133.585%0.84771%0.706SS**  trans-178.3128.9135.7-111.7-92.9000107.1
335V40.4Very low42.9Very low104 Ų104137.5 Ų137.563%0.6372%0.716SS**  cis-168.4151.9-3.1126.40000106.9
336T37.9Very low43.3Very low132 Ų132138.5 Ų138.581%0.8173%0.727SS**  trans74.189.8164.259.10000122.4
337D40.1Very low43.9Very low109 Ų109142.8 Ų142.858%0.58374%0.735SS**  trans-145.1115.3134.2-174.9-12.2000108.5S339D337-S339 VanDerWaalsContact C-N 3.32Å; D337-S339 PolarHBondContact O-N 3.38Å; D337-S339 WeakPolarHBondContact OD1-CB 3.4Å; D337-S339 PolarHBondContact OD1-N 3.15Å; D337-S339 PolarHBondContact OD1-OG 3.1Å; D337-S339 PolarHBondContact OD2-OG 3.29Å
338P45.8Very low44.8Very low136 Ų136144.9 Ų144.988%0.88376%0.763SS**  trans-86.116.7-177.933-31.4000114.9
339S54.5Low45Very low83 Ų83145.9 Ų145.958%0.5877%0.769SS**  trans-111.4-2.1-169.769.10000118.2D337D337-S339 VanDerWaalsContact C-N 3.32Å; D337-S339 PolarHBondContact O-N 3.38Å; D337-S339 WeakPolarHBondContact OD1-CB 3.4Å; D337-S339 PolarHBondContact OD1-N 3.15Å; D337-S339 PolarHBondContact OD1-OG 3.1Å; D337-S339 PolarHBondContact OD2-OG 3.29Å
340L44.7Very low45.1Very low146 Ų146147.1 Ų147.176%0.76478%0.779SS**  trans-123.698.4-172.9-65.3174.2000113.6L342L340-L342 PolarHBondContact O-N 2.56Å
341G42.5Very low45.3Very low85 Ų85150.6 Ų150.688%0.87679%0.79SS**  trans-70.7116.3173.600000112.7
342L42.6Very low45.7Very low159 Ų159153.7 Ų153.783%0.83280%0.796SS**  trans-86.6125.6168.7-123.9108000109.9L340L340-L342 PolarHBondContact O-N 2.56Å
343F41.4Very low46.4Very low203 Ų203151.4 Ų151.489%0.8980%0.801SS**  trans-120.7103.4159.4-94.8-83.4000108.5
344I52.1Low46.6Very low145 Ų145146.3 Ų146.374%0.74480%0.797SS**  trans-130115.9152.7-61.6-177.9000107.4I346I344-I346 HydrophobicContact CG2-CG1 4.41Å
345K48.4Very low47.1Very low161 Ų161143.7 Ų143.770%0.779%0.794SS**  trans-94.9116.2179-178.3176.1-173.8168.40107.7
346I51.5Low47.6Very low159 Ų159146.8 Ų146.882%0.81581%0.806SS**  trans-110.8132.7161.9-55.8179.1000106.3I344I344-I346 HydrophobicContact CG2-CG1 4.41Å
347R54.7Low48.4Very low195 Ų195148 Ų14874%0.73681%0.806SS**  trans-115.6164.3-174-129.5-159.6-71.2-154.93.9108.4
348P62.5Low49.2Very low195 Ų195151.5 Ų151.5100%1.26683%0.826SS**  -63.50-113.336.6-33.4000115.7

Retrieved 348 of 348 residues in 143.3 ms (Link to these results)

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