A0A077ZIW3_TRITR Loading...

Ras protein Rab 27A

AlphaFold DB , UniProt , Accession A0A077ZIW3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 213 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
1M44.1Very low84.8Confident218 Ų21865.8 Ų65.8100%1.07433%0.334SS*.  065.20-84.1-172.6-172.900107
2D66.3Low85.6Confident127 Ų12760.4 Ų60.468%0.67931%0.307SS*.  trans-109.319.2-147.4-48.6-55.3000114R48D2-R48 PolarHBondContact O-NH1 3.23Å
3G84.1Confident86.1Confident42 Ų4255.8 Ų55.843%0.43328%0.284SS..  trans-72.9142.8-178.800000113.1R63G3-R63 PolarHBondContact O-NH1 3.49Å
4Y88.8Confident86.7Confident104 Ų10451.9 Ų51.941%0.40826%0.264SS..  trans-114.9154.816556.1-95.7000108.5Y6 L7 L65Y4-Y6 VanDerWaalsContact CD2-C 3.44Å; Y4-Y6 WeakPolarHBondContact CD2-O 3.32Å; Y4-L7 HydrophobicContact CD2-CB 4.34Å; Y4-L7 HydrophobicContact CE2-CB 3.66Å; Y4-L65 HydrophobicContact CD1-CB 3.68Å; Y4-L65 HydrophobicContact CD1-CD2 3.68Å; Y4-L65 HydrophobicContact CD1-CG 4.32Å; Y4-L65 HydrophobicContact CD2-CB 4.21Å; Y4-L65 HydrophobicContact CE1-CB 4.19Å; Y4-L65 HydrophobicContact CE1-CD2 3.46Å; Y4-L65 VanDerWaalsContact CE1-CD2 3.46Å; Y4-L65 HydrophobicContact CE1-CG 4.47Å; Y4-L65 HydrophobicContact CG-CB 3.68Å; Y4-L65 HydrophobicContact CG-CD2 4.48Å
5D89Confident87.1Confident57 Ų5750.3 Ų50.331%0.30526%0.257SS..SBendtrans-87.8-35.4177.2-53.9-53000110.5R63D5-R63 PolarHBondContact N-O 2.97Å; D5-R63 IonicContact OD1-CZ 3.17Å; D5-R63 IonicContact OD1-NE 2.78Å; D5-R63 IonicContact OD1-NH2 3.25Å; D5-R63 PolarHBondContact OD1-NH2 3.03Å; D5-R63 WeakPolarHBondContact OD2-CB 3.49Å; D5-R63 IonicContact OD2-CZ 3.47Å; D5-R63 PolarHBondContact OD2-N 2.69Å; D5-R63 IonicContact OD2-NE 3.54Å; D5-R63 PolarHBondContact OD2-NE 2.79Å; D5-R63 IonicContact OD2-NH2 2.73Å
6Y91.4Very high87.4Confident81 Ų8149.9 Ų49.932%0.31826%0.26SS..EExtended strand (participates in β ladder)trans-134.9141.1175.2-62.2-89.4000112Y4 Q62 R63 L64 L65 M178 I181Y4-Y6 VanDerWaalsContact CD2-C 3.44Å; Y4-Y6 WeakPolarHBondContact CD2-O 3.32Å; Y6-Q62 HydrophobicContact CD2-CB 4.35Å; Y6-Q62 HydrophobicContact CE2-CB 4.45Å; Y6-Q62 HydrophobicContact CE2-CG 4.28Å; Y6-R63 PolarHBondContact N-O 3.29Å; Y6-L64 HydrophobicContact CD2-CD2 4.06Å; Y6-L64 HydrophobicContact CG-CD2 4.33Å; Y6-L64 WeakPolarHBondContact O-CA 3.47Å; Y6-L65 PolarHBondContact O-N 2.82Å; Y6-M178 HydrophobicContact CD2-CE 4.21Å; Y6-M178 HydrophobicContact CE2-CE 4.33Å; Y6-I181 HydrophobicContact CE1-CG2 3.94Å
7L93.3Very high87.7Confident54 Ų5449.6 Ų49.628%0.28327%0.266SS..EExtended strand (participates in β ladder)trans-97.9120.9165.4173.264.2000107.8Y4 L65 Q67Y4-L7 HydrophobicContact CD2-CB 4.34Å; Y4-L7 HydrophobicContact CE2-CB 3.66Å; L7-L65 WeakPolarHBondContact CA-O 3.34Å; L7-L65 HydrophobicContact CD1-CB 4.18Å; L7-L65 HydrophobicContact CD1-CD2 3.99Å; L7-L65 HydrophobicContact CD1-CG 3.93Å; L7-L65 WeakPolarHBondContact CD1-O 3.46Å; L7-Q67 HydrophobicContact CD1-CG 3.86Å
8I94.2Very high88.2Confident1 Ų146.9 Ų46.91%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-116126.1179.7-54.7-62.1000109.3L10 L64 L65 L66 Q67 M89 L174 L177 M178 I181I8-L10 HydrophobicContact CG2-CD2 3.67Å; I8-L10 HydrophobicContact CG2-CG 4.21Å; I8-L64 HydrophobicContact CG1-CD1 4.33Å; I8-L65 PolarHBondContact N-O 3.36Å; I8-L66 HydrophobicContact CB-CD2 3.76Å; I8-L66 HydrophobicContact CG1-CD2 4.32Å; I8-L66 HydrophobicContact CG2-CD2 4.19Å; I8-L66 WeakPolarHBondContact O-CA 3.41Å; I8-Q67 PolarHBondContact O-N 3.42Å; I8-M89 HydrophobicContact CB-SD 4.49Å; I8-M89 HydrophobicContact CD1-CE 3.77Å; I8-M89 HydrophobicContact CD1-SD 3.92Å; I8-M89 HydrophobicContact CG2-SD 4.33Å; I8-L174 HydrophobicContact CG2-CD2 3.97Å; I8-L177 HydrophobicContact CG2-CD1 3.88Å; I8-M178 HydrophobicContact CD1-SD 4.09Å; I8-I181 HydrophobicContact CD1-CD1 3.82Å
9K93.5Very high88.6Confident39 Ų3945.1 Ų45.117%0.1725%0.245CC..EExtended strand (participates in β ladder)trans-106.7115.4179.2-64.3175.9-175.9173.40109.8Q67 D87 M89K9-Q67 CarbonylContact C-O 3.59Å; K9-Q67 WeakPolarHBondContact CA-O 3.5Å; K9-Q67 HydrophobicContact CG-CB 4.2Å; K9-D87 WeakPolarHBondContact CD-O 3.37Å; K9-D87 WeakPolarHBondContact CD-OD2 3.44Å; K9-D87 IonicContact NZ-OD1 2.9Å; K9-D87 PolarHBondContact NZ-OD1 3.4Å; K9-D87 IonicContact NZ-OD2 3.25Å; K9-D87 PolarHBondContact NZ-OD2 3.43Å; K9-M89 PolarHBondContact O-N 3.39Å
10L94.8Very high88.9Confident1 Ų143.4 Ų43.41%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-111.1143.8175.8-48.4-178.3000109.6I8 Q67 L68 W69 G90 V170 L173 L177I8-L10 HydrophobicContact CG2-CD2 3.67Å; I8-L10 HydrophobicContact CG2-CG 4.21Å; L10-Q67 PolarHBondContact N-O 2.83Å; L10-L68 HydrophobicContact CB-CD2 4.03Å; L10-L68 HydrophobicContact CD1-CD2 3.79Å; L10-L68 HydrophobicContact CG-CD2 4.25Å; L10-W69 PolarHBondContact O-N 3.05Å; L10-G90 WeakPolarHBondContact CA-O 3.38Å; L10-V170 HydrophobicContact CD1-CG1 4.04Å; L10-L173 HydrophobicContact CD1-CD2 4.16Å; L10-L173 HydrophobicContact CD2-CD2 3.92Å; L10-L173 HydrophobicContact CD2-CG 4.21Å; L10-L173 HydrophobicContact CG-CD2 4.45Å; L10-L177 HydrophobicContact CD2-CD1 3.31Å
11L93.3Very high89.2Confident0 Ų043.5 Ų43.50%024%0.237CC..EExtended strand (participates in β ladder)trans-119.1126.3-179.5-172.366.3000110.7L13 W69 T71 I84 Y85 A88 G90 F91 L92L11-L13 HydrophobicContact CD2-CD1 4.48Å; L11-L13 HydrophobicContact CD2-CD2 3.69Å; L11-L13 HydrophobicContact CD2-CG 4.22Å; L11-L13 HydrophobicContact CG-CD2 3.85Å; L11-L13 HydrophobicContact CG-CG 4.14Å; L11-W69 HydrophobicContact CD1-CB 3.36Å; L11-W69 HydrophobicContact CD1-CG 4.38Å; L11-T71 HydrophobicContact CD1-CG2 3.37Å; L11-T71 HydrophobicContact CG-CG2 4.05Å; L11-I84 HydrophobicContact CD1-CG2 3.51Å; L11-I84 HydrophobicContact CD2-CG2 4.03Å; L11-I84 HydrophobicContact CG-CG2 4.39Å; L11-Y85 HydrophobicContact CD2-CD1 3.76Å; L11-Y85 HydrophobicContact CD2-CE1 3.93Å; L11-Y85 HydrophobicContact CD2-CG 4.45Å; L11-A88 HydrophobicContact CB-CB 3.82Å; L11-A88 HydrophobicContact CD2-CB 4.36Å; L11-G90 PolarHBondContact N-O 2.9Å; L11-F91 HydrophobicContact CB-CD1 3.79Å; L11-F91 HydrophobicContact CB-CE1 4.01Å; L11-F91 HydrophobicContact CD2-CD1 4.02Å; L11-F91 HydrophobicContact CD2-CE1 3.82Å; L11-F91 HydrophobicContact CG-CD1 4.39Å; L11-F91 WeakPolarHBondContact O-CA 3.27Å; L11-L92 PolarHBondContact O-N 3.3Å
12A94.4Very high91.6Very high1 Ų134.8 Ų34.81%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-88.2127.8171.700000110.4K20 L24 W69 T71 L92 F94A12-K20 HydrophobicContact CB-CB 4.11Å; A12-K20 HydrophobicContact CB-CD 4.26Å; A12-K20 HydrophobicContact CB-CG 4.45Å; A12-L24 HydrophobicContact CB-CD1 3.86Å; A12-L24 HydrophobicContact CB-CD2 4.48Å; A12-L24 HydrophobicContact CB-CG 4.32Å; A12-W69 PolarHBondContact N-O 3.3Å; A12-T71 PolarHBondContact O-OG1 3.35Å; A12-L92 CarbonylContact C-O 3.59Å; A12-L92 WeakPolarHBondContact CA-O 3.48Å; A12-F94 HydrophobicContact CB-CD2 4.4Å; A12-F94 HydrophobicContact CB-CE2 3.87Å
13L92.5Very high93.1Very high1 Ų128.7 Ų28.71%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-130.2159.3-174.6-62.1173.4000111.5L11 K20 T71 Y85 F91 L92 L93 F94 W109 L113L11-L13 HydrophobicContact CD2-CD1 4.48Å; L11-L13 HydrophobicContact CD2-CD2 3.69Å; L11-L13 HydrophobicContact CD2-CG 4.22Å; L11-L13 HydrophobicContact CG-CD2 3.85Å; L11-L13 HydrophobicContact CG-CG 4.14Å; L13-K20 VanDerWaalsContact C-CD 3.41Å; L13-K20 WeakPolarHBondContact O-CD 3.34Å; L13-T71 HydrophobicContact CD2-CG2 4.31Å; L13-Y85 HydrophobicContact CD1-CE1 3.64Å; L13-Y85 HydrophobicContact CD2-CE1 3.64Å; L13-Y85 HydrophobicContact CG-CE1 4.27Å; L13-F91 HydrophobicContact CD1-CB 4.24Å; L13-F91 HydrophobicContact CD1-CD1 3.73Å; L13-F91 HydrophobicContact CD1-CG 4.33Å; L13-L92 PolarHBondContact N-O 3.18Å; L13-L93 HydrophobicContact CB-CD1 3.91Å; L13-F94 WeakPolarHBondContact O-CD2 3.33Å; L13-F94 PolarHBondContact O-N 3.3Å; L13-W109 HydrophobicContact CB-CE3 4.28Å; L13-W109 HydrophobicContact CD2-CE3 4.41Å; L13-W109 HydrophobicContact CD2-CZ3 4.2Å; L13-L113 HydrophobicContact CD1-CD1 4.27Å
14G93.9Very high93.7Very high0 Ų026.8 Ų26.80%015%0.145CC..SBendtrans129.6171.9-179.200000112K20 G73 W109G14-K20 PolarHBondContact O-NZ 2.84Å; G14-G73 WeakPolarHBondContact O-CA 3.4Å; G14-W109 VanDerWaalsContact C-CE2 3.49Å; G14-W109 VanDerWaalsContact C-CZ2 3.46Å; G14-W109 VanDerWaalsContact O-CZ2 3.29Å; G14-W109 WeakPolarHBondContact O-CZ2 3.34Å
15D92.8Very high94Very high29 Ų2923.3 Ų23.316%0.15513%0.134CC..SBendtrans-59.5166.1-174.7-76.57.7000113.4V18 K20 N105 W109D15-V18 HydrophobicContact CB-CG1 3.77Å; D15-V18 VanDerWaalsContact O-CG2 3.25Å; D15-V18 WeakPolarHBondContact O-CG2 3.5Å; D15-K20 PolarHBondContact O-NZ 3.35Å; D15-N105 PolarHBondContact OD2-ND2 3.12Å; D15-W109 PolarHBondContact OD1-NE1 2.84Å
16S91.5Very high94.3Very high44 Ų4421.8 Ų21.831%0.30813%0.125SC..THydrogen-bonded Turntrans-59.2147.4169.8-167.40000110.6V18 G73S16-V18 PolarHBondContact O-N 3.3Å; S16-V18 VanDerWaalsContact O-N 3.09Å; S16-G73 PolarHBondContact N-O 3.17Å
17A93.1Very high94.6Very high45 Ų4518 Ų1837%0.37211%0.11SC..THydrogen-bonded Turntrans63.74.3177.200000117.7G19 F36 K130A17-G19 PolarHBondContact O-N 3.41Å; A17-F36 HydrophobicContact CB-CD2 4.27Å; A17-F36 HydrophobicContact CB-CE1 4.46Å; A17-F36 HydrophobicContact CB-CE2 3.62Å; A17-F36 HydrophobicContact CB-CZ 3.72Å; A17-K130 VanDerWaalsContact O-CE 3.31Å; A17-K130 WeakPolarHBondContact O-CE 3.41Å; A17-K130 PolarHBondContact O-NZ 3.38Å
18V96Very high94.7Very high1 Ų116.4 Ų16.41%0.00610%0.102CC..SBendtrans-69.7-11.9175.6-56.10000114.1D15 S16 K20 F94 D96 N129D15-V18 HydrophobicContact CB-CG1 3.77Å; D15-V18 VanDerWaalsContact O-CG2 3.25Å; D15-V18 WeakPolarHBondContact O-CG2 3.5Å; S16-V18 PolarHBondContact O-N 3.3Å; S16-V18 VanDerWaalsContact O-N 3.09Å; V18-K20 HydrophobicContact CG2-CD 4.37Å; V18-K20 HydrophobicContact CG2-CG 3.73Å; V18-F94 HydrophobicContact CB-CB 4.35Å; V18-F94 HydrophobicContact CG2-CB 3.56Å; V18-D96 HydrophobicContact CB-CB 4.26Å; V18-D96 HydrophobicContact CG1-CB 4.21Å; V18-N129 PolarHBondContact O-ND2 3.14Å
19G95.7Very high94.6Very high12 Ų1220.5 Ų20.512%0.12412%0.124CC..SBendtrans101.322.9172.800000116A17 S22 F23A17-G19 PolarHBondContact O-N 3.41Å; G19-S22 PolarHBondContact O-N 2.96Å; G19-F23 WeakPolarHBondContact O-CB 3.46Å; G19-F23 PolarHBondContact O-N 3.25Å
20K95.4Very high94.6Very high10 Ų1024.3 Ų24.34%0.04314%0.142CC..Hα-helixtrans-53.6-57176.9-57.2-171-62.2-77.30112.9A12 L13 G14 D15 V18 S22 F23 L24 D70 T71 F94A12-K20 HydrophobicContact CB-CB 4.11Å; A12-K20 HydrophobicContact CB-CD 4.26Å; A12-K20 HydrophobicContact CB-CG 4.45Å; L13-K20 VanDerWaalsContact C-CD 3.41Å; L13-K20 WeakPolarHBondContact O-CD 3.34Å; G14-K20 PolarHBondContact O-NZ 2.84Å; D15-K20 PolarHBondContact O-NZ 3.35Å; V18-K20 HydrophobicContact CG2-CD 4.37Å; V18-K20 HydrophobicContact CG2-CG 3.73Å; K20-S22 VanDerWaalsContact C-N 3.35Å; K20-S22 PolarHBondContact O-N 2.87Å; K20-F23 WeakPolarHBondContact O-CB 3.37Å; K20-F23 PolarHBondContact O-N 3.38Å; K20-F23 VanDerWaalsContact O-N 3.15Å; K20-L24 WeakPolarHBondContact O-CG 3.48Å; K20-L24 PolarHBondContact O-N 2.92Å; K20-D70 WeakPolarHBondContact CB-OD1 3.39Å; K20-T71 WeakPolarHBondContact CE-O 3.47Å; K20-T71 PolarHBondContact NZ-O 3.05Å; K20-F94 HydrophobicContact CD-CD2 4.37Å; K20-F94 HydrophobicContact CG-CB 4.2Å; K20-F94 HydrophobicContact CG-CD2 3.82Å; K20-F94 HydrophobicContact CG-CE2 4.45Å; K20-F94 HydrophobicContact CG-CG 4.11Å
21T94.4Very high94.4Very high46 Ų4628.7 Ų28.728%0.28217%0.165SC..Hα-helixtrans-57.8-45.9178.2-410000112.1F23 L24 N25 T39 F45 D70T21-F23 VanDerWaalsContact C-N 3.31Å; T21-F23 PolarHBondContact O-N 3.1Å; T21-L24 PolarHBondContact O-N 2.9Å; T21-N25 WeakPolarHBondContact O-CB 3.4Å; T21-N25 PolarHBondContact O-N 3.35Å; T21-T39 PolarHBondContact OG1-OG1 3.05Å; T21-F45 HydrophobicContact CG2-CZ 4.29Å; T21-D70 VanDerWaalsContact CB-OD2 3.29Å; T21-D70 WeakPolarHBondContact CB-OD2 3.3Å; T21-D70 WeakPolarHBondContact CG2-OD2 3.25Å; T21-D70 PolarHBondContact OG1-OD2 3.36Å
22S95.9Very high94.3Very high35 Ų3532.9 Ų32.925%0.24518%0.183CC..Hα-helixtrans-61.4-40.9178.1-53.20000111.5G19 K20 Q26G19-S22 PolarHBondContact O-N 2.96Å; K20-S22 VanDerWaalsContact C-N 3.35Å; K20-S22 PolarHBondContact O-N 2.87Å; S22-Q26 VanDerWaalsContact O-CB 3.23Å; S22-Q26 WeakPolarHBondContact O-CB 3.35Å; S22-Q26 PolarHBondContact O-N 2.78Å
23F97.5Very high93.9Very high0 Ų035.9 Ų35.90%020%0.203CC..Hα-helixtrans-64-48.5176.3179.2-78.7000111.3G19 K20 T21 N25 Q26 Y27 L92 F94 T158 A160 V166 A169 V170G19-F23 WeakPolarHBondContact O-CB 3.46Å; G19-F23 PolarHBondContact O-N 3.25Å; K20-F23 WeakPolarHBondContact O-CB 3.37Å; K20-F23 PolarHBondContact O-N 3.38Å; K20-F23 VanDerWaalsContact O-N 3.15Å; T21-F23 VanDerWaalsContact C-N 3.31Å; T21-F23 PolarHBondContact O-N 3.1Å; F23-N25 VanDerWaalsContact C-N 3.33Å; F23-N25 PolarHBondContact O-N 3.35Å; F23-Q26 PolarHBondContact O-N 3.18Å; F23-Y27 PolarHBondContact O-N 3.09Å; F23-L92 HydrophobicContact CE1-CD1 3.92Å; F23-F94 HydrophobicContact CB-CE1 3.83Å; F23-F94 HydrophobicContact CB-CZ 4.01Å; F23-F94 AromaticContact CD1-CE1 3.98Å; F23-F94 HydrophobicContact CD1-CE1 3.98Å; F23-F94 AromaticContact CD1-CZ 3.54Å; F23-F94 HydrophobicContact CD1-CZ 3.54Å; F23-F94 AromaticContact CD2-CE1 3.54Å; F23-F94 HydrophobicContact CD2-CE1 3.54Å; F23-F94 AromaticContact CD2-CZ 3.98Å; F23-F94 HydrophobicContact CD2-CZ 3.98Å; F23-F94 HydrophobicContact CE1-CE1 4.47Å; F23-F94 AromaticContact CE1-CZ 3.96Å; F23-F94 HydrophobicContact CE1-CZ 3.96Å; F23-F94 HydrophobicContact CE2-CE1 4.05Å; F23-F94 HydrophobicContact CE2-CZ 4.33Å; F23-F94 AromaticContact CG-CE1 3.5Å; F23-F94 HydrophobicContact CG-CE1 3.5Å; F23-F94 AromaticContact CG-CZ 3.57Å; F23-F94 HydrophobicContact CG-CZ 3.57Å; F23-F94 HydrophobicContact CZ-CE1 4.5Å; F23-F94 HydrophobicContact CZ-CZ 4.34Å; F23-T158 HydrophobicContact CE2-CG2 3.97Å; F23-A160 HydrophobicContact CB-CB 4.34Å; F23-V166 HydrophobicContact CD2-CB 4.48Å; F23-V166 HydrophobicContact CD2-CG1 4.27Å; F23-V166 HydrophobicContact CD2-CG2 3.9Å; F23-V166 HydrophobicContact CE1-CG1 4.17Å; F23-V166 HydrophobicContact CE2-CB 4Å; F23-V166 HydrophobicContact CE2-CG1 3.94Å; F23-V166 HydrophobicContact CE2-CG2 3.81Å; F23-V166 HydrophobicContact CZ-CB 4.28Å; F23-V166 HydrophobicContact CZ-CG1 3.87Å; F23-V166 WeakPolarHBondContact CZ-O 3.46Å; F23-A169 HydrophobicContact CE2-CB 4.36Å; F23-A169 HydrophobicContact CZ-CB 3.95Å; F23-V170 HydrophobicContact CE1-CG2 3.8Å; F23-V170 HydrophobicContact CZ-CG2 4.1Å
24L96.1Very high93.3Very high1 Ų141.1 Ų41.11%0.00524%0.24CC..Hα-helixtrans-64.2-39.4-179.5-66.4-179000111.9A12 K20 T21 Y27 T28 F45 L68 D70 L92A12-L24 HydrophobicContact CB-CD1 3.86Å; A12-L24 HydrophobicContact CB-CD2 4.48Å; A12-L24 HydrophobicContact CB-CG 4.32Å; K20-L24 WeakPolarHBondContact O-CG 3.48Å; K20-L24 PolarHBondContact O-N 2.92Å; T21-L24 PolarHBondContact O-N 2.9Å; L24-Y27 PolarHBondContact O-N 2.97Å; L24-T28 WeakPolarHBondContact O-CB 3.3Å; L24-T28 WeakPolarHBondContact O-CG2 3.36Å; L24-T28 PolarHBondContact O-N 3.29Å; L24-T28 PolarHBondContact O-OG1 3.11Å; L24-F45 HydrophobicContact CB-CD2 3.72Å; L24-F45 HydrophobicContact CB-CE2 3.77Å; L24-F45 HydrophobicContact CB-CG 4.35Å; L24-F45 HydrophobicContact CB-CZ 4.41Å; L24-F45 HydrophobicContact CD1-CD2 4.05Å; L24-F45 HydrophobicContact CD1-CE2 4.21Å; L24-L68 HydrophobicContact CD1-CB 4.41Å; L24-L68 HydrophobicContact CD2-CB 3.96Å; L24-L68 HydrophobicContact CD2-CD1 4.37Å; L24-L68 HydrophobicContact CD2-CD2 4.18Å; L24-L68 HydrophobicContact CD2-CG 4.4Å; L24-D70 HydrophobicContact CD1-CB 3.69Å; L24-L92 HydrophobicContact CD2-CD1 4.37Å
25N94.5Very high92.6Very high31 Ų3144.6 Ų44.617%0.16626%0.264CS..Hα-helixtrans-68.3-38.8174.5-167.149.6000112.2T21 F23 Y27 T28 N29 H30 I31 F45T21-N25 WeakPolarHBondContact O-CB 3.4Å; T21-N25 PolarHBondContact O-N 3.35Å; F23-N25 VanDerWaalsContact C-N 3.33Å; F23-N25 PolarHBondContact O-N 3.35Å; N25-Y27 VanDerWaalsContact C-N 3.32Å; N25-Y27 PolarHBondContact O-N 3.43Å; N25-T28 WeakPolarHBondContact CA-OG1 3.39Å; N25-T28 PolarHBondContact O-N 2.91Å; N25-T28 PolarHBondContact O-OG1 3.06Å; N25-N29 WeakPolarHBondContact O-CA 3.39Å; N25-N29 WeakPolarHBondContact O-CB 3.2Å; N25-N29 PolarHBondContact O-N 2.97Å; N25-N29 PolarHBondContact OD1-ND2 3.41Å; N25-H30 PolarHBondContact O-N 3.32Å; N25-I31 PolarHBondContact ND2-O 3.46Å; N25-F45 HydrophobicContact CB-CE1 4.01Å; N25-F45 HydrophobicContact CB-CZ 4.23Å
26Q96.6Very high91.8Very high25 Ų2549.2 Ų49.212%0.11728%0.283CS..Hα-helixtrans-63.1-40.6174.1-178.460.928.700111.1S22 F23 H30 I31 A160 V166S22-Q26 VanDerWaalsContact O-CB 3.23Å; S22-Q26 WeakPolarHBondContact O-CB 3.35Å; S22-Q26 PolarHBondContact O-N 2.78Å; F23-Q26 PolarHBondContact O-N 3.18Å; Q26-H30 WeakPolarHBondContact O-CA 3.25Å; Q26-H30 PolarHBondContact O-N 3.4Å; Q26-H30 PolarHBondContact O-ND1 3.09Å; Q26-I31 PolarHBondContact N-O 2.79Å; Q26-I31 VanDerWaalsContact OE1-C 3.3Å; Q26-A160 HydrophobicContact CB-CB 4.49Å; Q26-A160 WeakPolarHBondContact CG-O 3.32Å; Q26-A160 PolarHBondContact OE1-O 3.24Å; Q26-V166 HydrophobicContact CB-CG1 4.47Å; Q26-V166 HydrophobicContact CG-CG1 4.28Å; Q26-V166 HydrophobicContact CG-CG2 4.06Å
27Y97.2Very high91.1Very high3 Ų352.5 Ų52.51%0.01230%0.301CS..Hα-helixtrans-68.3-44.1176.9177.3-113.3000112.4F23 L24 N25 K47 L49 L66 L68 V166 D167 V170F23-Y27 PolarHBondContact O-N 3.09Å; L24-Y27 PolarHBondContact O-N 2.97Å; N25-Y27 VanDerWaalsContact C-N 3.32Å; N25-Y27 PolarHBondContact O-N 3.43Å; Y27-K47 HydrophobicContact CD1-CD 3.99Å; Y27-K47 HydrophobicContact CE1-CB 4.45Å; Y27-K47 HydrophobicContact CE1-CD 3.46Å; Y27-K47 VanDerWaalsContact CE1-CD 3.46Å; Y27-K47 HydrophobicContact CE2-CD 4.34Å; Y27-K47 PolarHBondContact O-NZ 3.42Å; Y27-L49 VanDerWaalsContact OH-CD2 3.3Å; Y27-L49 WeakPolarHBondContact OH-CD2 3.42Å; Y27-L66 HydrophobicContact CE1-CD1 3.84Å; Y27-L66 WeakPolarHBondContact OH-CD1 3.23Å; Y27-L68 HydrophobicContact CD1-CD1 3.61Å; Y27-L68 HydrophobicContact CE1-CD1 3.9Å; Y27-V166 HydrophobicContact CD2-CG1 4.29Å; Y27-V166 HydrophobicContact CG-CG1 4.4Å; Y27-D167 WeakPolarHBondContact CD2-OD1 3.49Å; Y27-D167 WeakPolarHBondContact CE2-OD1 3.44Å; Y27-V170 HydrophobicContact CD1-CG1 4.47Å; Y27-V170 HydrophobicContact CD1-CG2 4.06Å; Y27-V170 HydrophobicContact CD2-CB 4.18Å; Y27-V170 HydrophobicContact CD2-CG2 3.84Å; Y27-V170 HydrophobicContact CE1-CB 4.3Å; Y27-V170 HydrophobicContact CE1-CG1 3.76Å; Y27-V170 HydrophobicContact CE1-CG2 4.16Å; Y27-V170 HydrophobicContact CE2-CB 3.79Å; Y27-V170 HydrophobicContact CE2-CG1 3.97Å; Y27-V170 HydrophobicContact CE2-CG2 3.96Å; Y27-V170 HydrophobicContact CG-CG2 3.88Å; Y27-V170 VanDerWaalsContact CZ-CG1 3.46Å; Y27-V170 WeakPolarHBondContact OH-CG1 3.42Å
28T95.2Very high90.4Very high19 Ų1952.7 Ų52.712%0.11730%0.3CS..Hα-helixtrans-80.7-43.5-174510000113.5L24 N25 F45 K47 L68L24-T28 WeakPolarHBondContact O-CB 3.3Å; L24-T28 WeakPolarHBondContact O-CG2 3.36Å; L24-T28 PolarHBondContact O-N 3.29Å; L24-T28 PolarHBondContact O-OG1 3.11Å; N25-T28 WeakPolarHBondContact CA-OG1 3.39Å; N25-T28 PolarHBondContact O-N 2.91Å; N25-T28 PolarHBondContact O-OG1 3.06Å; T28-F45 HydrophobicContact CG2-CB 3.6Å; T28-F45 HydrophobicContact CG2-CD1 4.36Å; T28-F45 HydrophobicContact CG2-CG 4.26Å; T28-F45 WeakPolarHBondContact OG1-CD1 3.19Å; T28-K47 HydrophobicContact CG2-CB 4.2Å; T28-L68 HydrophobicContact CG2-CD1 3.36Å
29N93.3Very high89.4Confident88 Ų8853.9 Ų53.947%0.47131%0.307SS..Hα-helixtrans-116.4-5.6-170-61.8-44000113.5N25 I31N25-N29 WeakPolarHBondContact O-CA 3.39Å; N25-N29 WeakPolarHBondContact O-CB 3.2Å; N25-N29 PolarHBondContact O-N 2.97Å; N25-N29 PolarHBondContact OD1-ND2 3.41Å; N29-I31 HydrophobicContact CB-CB 4.38Å; N29-I31 HydrophobicContact CB-CD1 4.02Å; N29-I31 HydrophobicContact CB-CG1 4.23Å; N29-I31 WeakPolarHBondContact O-CG1 3.49Å; N29-I31 PolarHBondContact O-N 2.89Å
30H93.3Very high88.2Confident118 Ų11859.2 Ų59.255%0.54634%0.337SS..SBendtrans56.433.2-172.8-55.7-65.7000113.2N25 Q26N25-H30 PolarHBondContact O-N 3.32Å; Q26-H30 WeakPolarHBondContact O-CA 3.25Å; Q26-H30 PolarHBondContact O-N 3.4Å; Q26-H30 PolarHBondContact O-ND1 3.09Å
31I90.8Very high87.1Confident93 Ų9359.3 Ų59.348%0.47734%0.341SS..  trans-119.1127.9-179.2-65.5167.8000109.9N25 Q26 N29N25-I31 PolarHBondContact ND2-O 3.46Å; Q26-I31 PolarHBondContact N-O 2.79Å; Q26-I31 VanDerWaalsContact OE1-C 3.3Å; N29-I31 HydrophobicContact CB-CB 4.38Å; N29-I31 HydrophobicContact CB-CD1 4.02Å; N29-I31 HydrophobicContact CB-CG1 4.23Å; N29-I31 WeakPolarHBondContact O-CG1 3.49Å; N29-I31 PolarHBondContact O-N 2.89Å
32F89.8Confident86.2Confident89 Ų8959.8 Ų59.839%0.3934%0.341SS..  trans-107.4128.4166.4179.2-105.8000110.6A160 A161F32-A160 HydrophobicContact CD2-CB 4.1Å; F32-A160 WeakPolarHBondContact CD2-O 3.15Å; F32-A160 HydrophobicContact CE2-CB 4.25Å; F32-A161 HydrophobicContact CD1-CB 4.08Å; F32-A161 HydrophobicContact CD2-CB 4.2Å; F32-A161 HydrophobicContact CE1-CB 3.85Å; F32-A161 HydrophobicContact CE2-CB 3.99Å; F32-A161 HydrophobicContact CG-CB 4.24Å; F32-A161 HydrophobicContact CZ-CB 3.81Å
33C86.1Confident85.6Confident64 Ų6462.1 Ų62.143%0.43235%0.351SS..  trans-111124.1171.2-167.20000109.3S35C33-S35 VanDerWaalsContact C-N 3.33Å; C33-S35 PolarHBondContact SG-OG 2.86Å
34S80.9Confident85Confident110 Ų11067.3 Ų67.377%0.76937%0.374SS*.  trans-78.8-16.2-179.7630000113.4F36S34-F36 PolarHBondContact O-N 2.98Å
35S79.3Confident84.8Confident74 Ų7468.7 Ų68.752%0.51738%0.38SS..SBendtrans-74123.4176.459.80000109.8C33 V37C33-S35 VanDerWaalsContact C-N 3.33Å; C33-S35 PolarHBondContact SG-OG 2.86Å; S35-V37 PolarHBondContact O-N 3.31Å
36F75.9Confident84.8Confident126 Ų12672 Ų7255%0.55339%0.394SS*.  trans-79.5115.8175.7178.5-109.5000110A17 S34 S38A17-F36 HydrophobicContact CB-CD2 4.27Å; A17-F36 HydrophobicContact CB-CE1 4.46Å; A17-F36 HydrophobicContact CB-CE2 3.62Å; A17-F36 HydrophobicContact CB-CZ 3.72Å; S34-F36 PolarHBondContact O-N 2.98Å; F36-S38 VanDerWaalsContact CE1-OG 3.27Å; F36-S38 WeakPolarHBondContact CE1-OG 3.47Å; F36-S38 WeakPolarHBondContact CZ-OG 3.49Å
37V76.6Confident84.7Confident112 Ų11272.8 Ų72.868%0.67940%0.397SS*.  trans-118.6117.6167.7-177.10000107S35 T39S35-V37 PolarHBondContact O-N 3.31Å; V37-T39 PolarHBondContact O-N 3.47Å
38S78.8Confident84.5Confident49 Ų4979.4 Ų79.434%0.34342%0.422SS..PPolyproline II helixtrans-61.4124.7176-66.60000110.2F36 V40F36-S38 VanDerWaalsContact CE1-OG 3.27Å; F36-S38 WeakPolarHBondContact CE1-OG 3.47Å; F36-S38 WeakPolarHBondContact CZ-OG 3.49Å; S38-V40 PolarHBondContact O-N 3.3Å
39T73.6Confident84.5Confident27 Ų2780 Ų8017%0.16643%0.425CS..PPolyproline II helixtrans-58.2127.2169.7-45.40000109.4T21 V37 D43 D70 A72T21-T39 PolarHBondContact OG1-OG1 3.05Å; V37-T39 PolarHBondContact O-N 3.47Å; T39-D43 HydrophobicContact CG2-CB 4.39Å; T39-D70 PolarHBondContact OG1-OD2 2.87Å; T39-A72 VanDerWaalsContact O-CB 3.26Å; T39-A72 WeakPolarHBondContact O-CB 3.41Å
40V72.1Confident84.4Confident123 Ų12380.1 Ų80.175%0.74543%0.428SS*.PPolyproline II helixtrans-99.7116.4175.3179.10000107.8S38 I42 F77S38-V40 PolarHBondContact O-N 3.3Å; V40-I42 PolarHBondContact O-N 3.13Å; V40-F77 HydrophobicContact CG1-CZ 4.48Å
41G71.7Confident84.3Confident13 Ų1375.2 Ų75.213%0.13441%0.405CS..SBendtrans73.2-120.8-178.400000112.5A72G41-A72 WeakPolarHBondContact O-CB 3.26Å; G41-A72 PolarHBondContact O-N 3.31Å
42I76.2Confident84.1Confident56 Ų5678 Ų7829%0.28741%0.414SS..EExtended strand (participates in β ladder)trans-133.9135.3-178.9-68.2125.7000108.3V40 W69 D70 L80 I84V40-I42 PolarHBondContact O-N 3.13Å; I42-W69 HydrophobicContact CG2-CE3 3.57Å; I42-W69 HydrophobicContact CG2-CZ3 4.01Å; I42-D70 VanDerWaalsContact CA-O 3.29Å; I42-D70 WeakPolarHBondContact CA-O 3.34Å; I42-L80 HydrophobicContact CD1-CB 3.96Å; I42-I84 HydrophobicContact CB-CD1 4.49Å; I42-I84 HydrophobicContact CD1-CD1 3.29Å; I42-I84 HydrophobicContact CG1-CD1 3.75Å; I42-I84 HydrophobicContact CG2-CD1 4.18Å
43D83.3Confident83.7Confident84 Ų8474.7 Ų74.745%0.44940%0.401SS..EExtended strand (participates in β ladder)trans-116.8166.3170.6-153.6-11000109.2T39 D70T39-D43 HydrophobicContact CG2-CB 4.39Å; D43-D70 HydrophobicContact CB-CB 4.2Å; D43-D70 PolarHBondContact N-O 2.9Å; D43-D70 PolarHBondContact O-N 3.4Å
44F84.8Confident83.1Confident108 Ų10875.5 Ų75.547%0.47441%0.406SS..EExtended strand (participates in β ladder)trans-142.2143.9173.778.2-84.7000112.8E46 L68 W69F44-E46 HydrophobicContact CD2-CG 4.07Å; F44-E46 HydrophobicContact CE2-CG 3.97Å; F44-L68 CarbonylContact C-O 3.57Å; F44-L68 VanDerWaalsContact CA-O 3.29Å; F44-L68 WeakPolarHBondContact CA-O 3.48Å; F44-W69 HydrophobicContact CB-CD2 4.46Å; F44-W69 HydrophobicContact CB-CE3 4.37Å
45F91.8Very high82.5Confident31 Ų3176.8 Ų76.814%0.13640%0.399CS..EExtended strand (participates in β ladder)trans-111.9146.2171.9-57-103.1000109.4T21 L24 N25 T28 L68 D70T21-F45 HydrophobicContact CG2-CZ 4.29Å; L24-F45 HydrophobicContact CB-CD2 3.72Å; L24-F45 HydrophobicContact CB-CE2 3.77Å; L24-F45 HydrophobicContact CB-CG 4.35Å; L24-F45 HydrophobicContact CB-CZ 4.41Å; L24-F45 HydrophobicContact CD1-CD2 4.05Å; L24-F45 HydrophobicContact CD1-CE2 4.21Å; N25-F45 HydrophobicContact CB-CE1 4.01Å; N25-F45 HydrophobicContact CB-CZ 4.23Å; T28-F45 HydrophobicContact CG2-CB 3.6Å; T28-F45 HydrophobicContact CG2-CD1 4.36Å; T28-F45 HydrophobicContact CG2-CG 4.26Å; T28-F45 WeakPolarHBondContact OG1-CD1 3.19Å; F45-L68 HydrophobicContact CB-CB 4.17Å; F45-L68 HydrophobicContact CB-CD1 4.2Å; F45-L68 PolarHBondContact N-O 3.37Å; F45-L68 PolarHBondContact O-N 3.48Å; F45-D70 HydrophobicContact CE2-CB 4.26Å
46E93.5Very high81.7Confident99 Ų9977.5 Ų77.546%0.46339%0.394SS..EExtended strand (participates in β ladder)trans-117.8135.4172.6-79.8-172.7144.700111.1F44 L65 L66 Q67F44-E46 HydrophobicContact CD2-CG 4.07Å; F44-E46 HydrophobicContact CE2-CG 3.97Å; E46-L65 HydrophobicContact CB-CD1 4.46Å; E46-L66 VanDerWaalsContact CA-O 3.27Å; E46-L66 WeakPolarHBondContact CA-O 3.39Å; E46-Q67 HydrophobicContact CG-CG 3.92Å; E46-Q67 PolarHBondContact OE1-NE2 3Å
47K94.3Very high80.6Confident43 Ų4380.7 Ų80.719%0.18741%0.411CS..EExtended strand (participates in β ladder)trans-136.2127.8174.2-165.3179.5-173.1177.30110Y27 T28 L66 D167Y27-K47 HydrophobicContact CD1-CD 3.99Å; Y27-K47 HydrophobicContact CE1-CB 4.45Å; Y27-K47 HydrophobicContact CE1-CD 3.46Å; Y27-K47 VanDerWaalsContact CE1-CD 3.46Å; Y27-K47 HydrophobicContact CE2-CD 4.34Å; Y27-K47 PolarHBondContact O-NZ 3.42Å; T28-K47 HydrophobicContact CG2-CB 4.2Å; K47-L66 HydrophobicContact CB-CB 4.47Å; K47-L66 PolarHBondContact N-O 3.34Å; K47-L66 WeakPolarHBondContact O-CB 3.31Å; K47-L66 PolarHBondContact O-N 2.92Å; K47-D167 IonicContact NZ-OD1 2.6Å
48R94.3Very high79.5Confident142 Ų14285 Ų8554%0.53642%0.421SS..EExtended strand (participates in β ladder)trans-90.9131.5171.3-69177-178.5-96.71.7109D2 L64 L65D2-R48 PolarHBondContact O-NH1 3.23Å; R48-L64 WeakPolarHBondContact CA-O 3.39Å; R48-L65 HydrophobicContact CG-CD1 3.8Å
49L93.7Very high78.7Confident32 Ų3284 Ų8417%0.16842%0.419CS..EExtended strand (participates in β ladder)trans-143.8164.8176.469.180.9000111.7Y27 L64 L66 L174Y27-L49 VanDerWaalsContact OH-CD2 3.3Å; Y27-L49 WeakPolarHBondContact OH-CD2 3.42Å; L49-L64 HydrophobicContact CD1-CB 3.93Å; L49-L64 HydrophobicContact CD1-CD1 3.83Å; L49-L64 HydrophobicContact CD1-CG 3.91Å; L49-L64 HydrophobicContact CG-CB 4.17Å; L49-L64 PolarHBondContact N-O 2.81Å; L49-L64 PolarHBondContact O-N 3.37Å; L49-L66 HydrophobicContact CD2-CD1 3.44Å; L49-L66 VanDerWaalsContact CD2-CD1 3.44Å; L49-L66 HydrophobicContact CD2-CD2 4.46Å; L49-L66 HydrophobicContact CD2-CG 3.86Å; L49-L66 HydrophobicContact CG-CD1 4.45Å; L49-L66 HydrophobicContact CG-CG 4.39Å; L49-L174 HydrophobicContact CD2-CD1 3.98Å
50V92.4Very high78.7Confident89 Ų8991.9 Ų91.954%0.53945%0.445SS..EExtended strand (participates in β ladder)trans-110.2108.8173.7179.60000107.7Q62 R63V50-Q62 CarbonylContact C-O 3.56Å; V50-Q62 WeakPolarHBondContact CA-O 3.42Å; V50-R63 HydrophobicContact CG2-CG 4.44Å
51Y90.7Very high79.3Confident16 Ų1688.6 Ų88.66%0.06343%0.428CS..EExtended strand (participates in β ladder)trans-80.8133.7176.1178.9-106.3000110.3S61 Q62 L64 D175 M178Y51-S61 WeakPolarHBondContact O-CA 3.36Å; Y51-Q62 PolarHBondContact N-O 3.34Å; Y51-Q62 PolarHBondContact O-N 2.8Å; Y51-L64 HydrophobicContact CG-CD1 4.12Å; Y51-D175 VanDerWaalsContact CE2-OD1 3.23Å; Y51-D175 WeakPolarHBondContact CE2-OD1 3.42Å; Y51-D175 PolarHBondContact OH-OD1 2.96Å; Y51-M178 HydrophobicContact CD1-CB 4.34Å; Y51-M178 HydrophobicContact CD1-CE 4.36Å; Y51-M178 HydrophobicContact CD1-CG 3.89Å; Y51-M178 HydrophobicContact CD2-CG 4.46Å; Y51-M178 HydrophobicContact CE1-CB 3.61Å; Y51-M178 HydrophobicContact CE1-CG 3.63Å; Y51-M178 HydrophobicContact CE2-CG 4.24Å; Y51-M178 HydrophobicContact CG-CG 4.3Å
52K87.5Confident80.1Confident151 Ų15190 Ų9066%0.65743%0.431SS*.  trans-121.8112.2174.1-65.5-175.5180-179.20107
53S80Confident80.9Confident19 Ų1992.6 Ų92.613%0.13344%0.437CS..  trans-58.7126.1179.5172.80000109.9H55S53-H55 PolarHBondContact O-N 2.88Å; S53-H55 PolarHBondContact OG-N 3.48Å
54P74.7Confident81.4Confident81 Ų8188.6 Ų88.653%0.52642%0.416SS..THydrogen-bonded Turntrans-69.1-19.9177.326-31.2000112.5
55H67.3Low81.9Confident137 Ų13783.9 Ų83.963%0.63440%0.395SS*.THydrogen-bonded Turntrans-95.3-1.7-173.7-62.8-55.5000114.6S53S53-H55 PolarHBondContact O-N 2.88Å; S53-H55 PolarHBondContact OG-N 3.48Å
56H61.7Low82.1Confident89 Ų8982.4 Ų82.441%0.41239%0.389SS..  trans-122.2102.6177-75-83000110.8F58 G59 Q182H56-F58 PolarHBondContact O-N 2.78Å; H56-G59 VanDerWaalsContact CB-CA 3.43Å; H56-G59 WeakPolarHBondContact O-CA 3.3Å; H56-G59 PolarHBondContact O-N 2.78Å; H56-Q182 PolarHBondContact NE2-NE2 2.83Å
57E53.5Low82.1Confident193 Ų19379.3 Ų79.390%0.90237%0.374SS*.THydrogen-bonded Turntrans-56.7-21.8174-78-173.1143.600113.2
58F54.6Low82.1Confident203 Ų20377.3 Ų77.389%0.8937%0.366SS*.THydrogen-bonded Turntrans-115.317.1173.5-64.4-82.3000113.1H56 R60H56-F58 PolarHBondContact O-N 2.78Å; F58-R60 PolarHBondContact O-N 3.22Å
59G60.7Low82Confident28 Ų2873.4 Ų73.429%0.28935%0.351SS..PPolyproline II helixtrans-61.3126-173.200000112.1H56 S61H56-G59 VanDerWaalsContact CB-CA 3.43Å; H56-G59 WeakPolarHBondContact O-CA 3.3Å; H56-G59 PolarHBondContact O-N 2.78Å; G59-S61 PolarHBondContact O-N 2.87Å
60R73.7Confident81.8Confident193 Ų19371.9 Ų71.973%0.72834%0.343SS*.PPolyproline II helixtrans-58.2127172.3-177.8175.7175.1176.3-2.2108.5F58 Q62F58-R60 PolarHBondContact O-N 3.22Å; R60-Q62 PolarHBondContact O-N 3.2Å
61S85Confident81.5Confident54 Ų5467.9 Ų67.938%0.37832%0.319SS..PPolyproline II helixtrans-62.9129.8169.1-62.40000109.1Y51 G59Y51-S61 WeakPolarHBondContact O-CA 3.36Å; G59-S61 PolarHBondContact O-N 2.87Å
62Q88.7Confident80.9Confident42 Ų4267.5 Ų67.520%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-111130.1-177.6-59.9179.23.700109.6Y6 V50 Y51 R60 L64Y6-Q62 HydrophobicContact CD2-CB 4.35Å; Y6-Q62 HydrophobicContact CE2-CB 4.45Å; Y6-Q62 HydrophobicContact CE2-CG 4.28Å; V50-Q62 CarbonylContact C-O 3.56Å; V50-Q62 WeakPolarHBondContact CA-O 3.42Å; Y51-Q62 PolarHBondContact N-O 3.34Å; Y51-Q62 PolarHBondContact O-N 2.8Å; R60-Q62 PolarHBondContact O-N 3.2Å; Q62-L64 HydrophobicContact CB-CD2 4.25Å; Q62-L64 PolarHBondContact O-N 3.44Å
63R91.9Very high79.8Confident110 Ų11060.9 Ų60.942%0.41529%0.294SS..EExtended strand (participates in β ladder)trans-83.2116.8177.4-63.5168.4-65.5172.53.9108.4G3 D5 Y6 V50G3-R63 PolarHBondContact O-NH1 3.49Å; D5-R63 PolarHBondContact N-O 2.97Å; D5-R63 IonicContact OD1-CZ 3.17Å; D5-R63 IonicContact OD1-NE 2.78Å; D5-R63 IonicContact OD1-NH2 3.25Å; D5-R63 PolarHBondContact OD1-NH2 3.03Å; D5-R63 WeakPolarHBondContact OD2-CB 3.49Å; D5-R63 IonicContact OD2-CZ 3.47Å; D5-R63 PolarHBondContact OD2-N 2.69Å; D5-R63 IonicContact OD2-NE 3.54Å; D5-R63 PolarHBondContact OD2-NE 2.79Å; D5-R63 IonicContact OD2-NH2 2.73Å; Y6-R63 PolarHBondContact N-O 3.29Å; V50-R63 HydrophobicContact CG2-CG 4.44Å
64L94.5Very high79Confident1 Ų162.2 Ų62.21%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-102.9135.9177.4-49.1-170.2000109.8Y6 I8 R48 L49 Y51 Q62 L66 L174 M178Y6-L64 HydrophobicContact CD2-CD2 4.06Å; Y6-L64 HydrophobicContact CG-CD2 4.33Å; Y6-L64 WeakPolarHBondContact O-CA 3.47Å; I8-L64 HydrophobicContact CG1-CD1 4.33Å; R48-L64 WeakPolarHBondContact CA-O 3.39Å; L49-L64 HydrophobicContact CD1-CB 3.93Å; L49-L64 HydrophobicContact CD1-CD1 3.83Å; L49-L64 HydrophobicContact CD1-CG 3.91Å; L49-L64 HydrophobicContact CG-CB 4.17Å; L49-L64 PolarHBondContact N-O 2.81Å; L49-L64 PolarHBondContact O-N 3.37Å; Y51-L64 HydrophobicContact CG-CD1 4.12Å; Q62-L64 HydrophobicContact CB-CD2 4.25Å; Q62-L64 PolarHBondContact O-N 3.44Å; L64-L66 HydrophobicContact CB-CD2 4.25Å; L64-L66 HydrophobicContact CD1-CD2 4.45Å; L64-L174 HydrophobicContact CD1-CD2 4.09Å; L64-M178 HydrophobicContact CD1-SD 4.18Å; L64-M178 HydrophobicContact CD2-CE 4.39Å; L64-M178 HydrophobicContact CD2-SD 4.16Å
65L95.1Very high78Confident9 Ų963.8 Ų63.85%0.04730%0.298CS..EExtended strand (participates in β ladder)trans-98.7111.5157.7178.360.2000107.2Y4 Y6 L7 I8 E46 R48Y4-L65 HydrophobicContact CD1-CB 3.68Å; Y4-L65 HydrophobicContact CD1-CD2 3.68Å; Y4-L65 HydrophobicContact CD1-CG 4.32Å; Y4-L65 HydrophobicContact CD2-CB 4.21Å; Y4-L65 HydrophobicContact CE1-CB 4.19Å; Y4-L65 HydrophobicContact CE1-CD2 3.46Å; Y4-L65 VanDerWaalsContact CE1-CD2 3.46Å; Y4-L65 HydrophobicContact CE1-CG 4.47Å; Y4-L65 HydrophobicContact CG-CB 3.68Å; Y4-L65 HydrophobicContact CG-CD2 4.48Å; Y6-L65 PolarHBondContact O-N 2.82Å; L7-L65 WeakPolarHBondContact CA-O 3.34Å; L7-L65 HydrophobicContact CD1-CB 4.18Å; L7-L65 HydrophobicContact CD1-CD2 3.99Å; L7-L65 HydrophobicContact CD1-CG 3.93Å; L7-L65 WeakPolarHBondContact CD1-O 3.46Å; I8-L65 PolarHBondContact N-O 3.36Å; E46-L65 HydrophobicContact CB-CD1 4.46Å; R48-L65 HydrophobicContact CG-CD1 3.8Å
66L95.7Very high77.4Confident0 Ų065.9 Ų65.90%030%0.301CS..EExtended strand (participates in β ladder)trans-87.9129.2173.7-59.9-170.6000110.1I8 Y27 E46 K47 L49 L64 V170 L174I8-L66 HydrophobicContact CB-CD2 3.76Å; I8-L66 HydrophobicContact CG1-CD2 4.32Å; I8-L66 HydrophobicContact CG2-CD2 4.19Å; I8-L66 WeakPolarHBondContact O-CA 3.41Å; Y27-L66 HydrophobicContact CE1-CD1 3.84Å; Y27-L66 WeakPolarHBondContact OH-CD1 3.23Å; E46-L66 VanDerWaalsContact CA-O 3.27Å; E46-L66 WeakPolarHBondContact CA-O 3.39Å; K47-L66 HydrophobicContact CB-CB 4.47Å; K47-L66 PolarHBondContact N-O 3.34Å; K47-L66 WeakPolarHBondContact O-CB 3.31Å; K47-L66 PolarHBondContact O-N 2.92Å; L49-L66 HydrophobicContact CD2-CD1 3.44Å; L49-L66 VanDerWaalsContact CD2-CD1 3.44Å; L49-L66 HydrophobicContact CD2-CD2 4.46Å; L49-L66 HydrophobicContact CD2-CG 3.86Å; L49-L66 HydrophobicContact CG-CD1 4.45Å; L49-L66 HydrophobicContact CG-CG 4.39Å; L64-L66 HydrophobicContact CB-CD2 4.25Å; L64-L66 HydrophobicContact CD1-CD2 4.45Å; L66-V170 HydrophobicContact CD1-CG1 4.21Å; L66-L174 HydrophobicContact CD1-CD1 4.13Å; L66-L174 HydrophobicContact CD2-CD1 4.3Å; L66-L174 HydrophobicContact CD2-CD2 3.55Å
67Q94.8Very high77.2Confident33 Ų3363.9 Ų63.915%0.15429%0.291CS..EExtended strand (participates in β ladder)trans-107.3115.8163.1-75.9-177.1-15.700108.7L7 I8 K9 L10 E46L7-Q67 HydrophobicContact CD1-CG 3.86Å; I8-Q67 PolarHBondContact O-N 3.42Å; K9-Q67 CarbonylContact C-O 3.59Å; K9-Q67 WeakPolarHBondContact CA-O 3.5Å; K9-Q67 HydrophobicContact CG-CB 4.2Å; L10-Q67 PolarHBondContact N-O 2.83Å; E46-Q67 HydrophobicContact CG-CG 3.92Å; E46-Q67 PolarHBondContact OE1-NE2 3Å
68L94Very high77.4Confident1 Ų160.4 Ų60.41%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-107.4104.7-177.2-59.3160.8000108.1L10 L24 Y27 T28 F44 F45L10-L68 HydrophobicContact CB-CD2 4.03Å; L10-L68 HydrophobicContact CD1-CD2 3.79Å; L10-L68 HydrophobicContact CG-CD2 4.25Å; L24-L68 HydrophobicContact CD1-CB 4.41Å; L24-L68 HydrophobicContact CD2-CB 3.96Å; L24-L68 HydrophobicContact CD2-CD1 4.37Å; L24-L68 HydrophobicContact CD2-CD2 4.18Å; L24-L68 HydrophobicContact CD2-CG 4.4Å; Y27-L68 HydrophobicContact CD1-CD1 3.61Å; Y27-L68 HydrophobicContact CE1-CD1 3.9Å; T28-L68 HydrophobicContact CG2-CD1 3.36Å; F44-L68 CarbonylContact C-O 3.57Å; F44-L68 VanDerWaalsContact CA-O 3.29Å; F44-L68 WeakPolarHBondContact CA-O 3.48Å; F45-L68 HydrophobicContact CB-CB 4.17Å; F45-L68 HydrophobicContact CB-CD1 4.2Å; F45-L68 PolarHBondContact N-O 3.37Å; F45-L68 PolarHBondContact O-N 3.48Å
69W92.3Very high77.5Confident60 Ų6055.4 Ų55.423%0.22726%0.26CS..EExtended strand (participates in β ladder)trans-86.6117.8-177-67.184.4000109.7L10 L11 A12 I42 F44 I84L10-W69 PolarHBondContact O-N 3.05Å; L11-W69 HydrophobicContact CD1-CB 3.36Å; L11-W69 HydrophobicContact CD1-CG 4.38Å; A12-W69 PolarHBondContact N-O 3.3Å; I42-W69 HydrophobicContact CG2-CE3 3.57Å; I42-W69 HydrophobicContact CG2-CZ3 4.01Å; F44-W69 HydrophobicContact CB-CD2 4.46Å; F44-W69 HydrophobicContact CB-CE3 4.37Å; W69-I84 HydrophobicContact CD2-CG2 4.45Å; W69-I84 HydrophobicContact CG-CG2 4.47Å
70D89.9Confident77.4Confident0 Ų058.6 Ų58.60%027%0.269CS..EExtended strand (participates in β ladder)trans-93120.9174.7-17127.7000109.6K20 T21 L24 T39 I42 D43 F45K20-D70 WeakPolarHBondContact CB-OD1 3.39Å; T21-D70 VanDerWaalsContact CB-OD2 3.29Å; T21-D70 WeakPolarHBondContact CB-OD2 3.3Å; T21-D70 WeakPolarHBondContact CG2-OD2 3.25Å; T21-D70 PolarHBondContact OG1-OD2 3.36Å; L24-D70 HydrophobicContact CD1-CB 3.69Å; T39-D70 PolarHBondContact OG1-OD2 2.87Å; I42-D70 VanDerWaalsContact CA-O 3.29Å; I42-D70 WeakPolarHBondContact CA-O 3.34Å; D43-D70 HydrophobicContact CB-CB 4.2Å; D43-D70 PolarHBondContact N-O 2.9Å; D43-D70 PolarHBondContact O-N 3.4Å; F45-D70 HydrophobicContact CE2-CB 4.26Å
71T84.2Confident77Confident5 Ų550 Ų503%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-101140.9178.263.80000111.3L11 A12 L13 K20 G73 T81L11-T71 HydrophobicContact CD1-CG2 3.37Å; L11-T71 HydrophobicContact CG-CG2 4.05Å; A12-T71 PolarHBondContact O-OG1 3.35Å; L13-T71 HydrophobicContact CD2-CG2 4.31Å; K20-T71 WeakPolarHBondContact CE-O 3.47Å; K20-T71 PolarHBondContact NZ-O 3.05Å; T71-G73 PolarHBondContact O-N 2.76Å; T71-T81 HydrophobicContact CG2-CG2 4.36Å
72A79.3Confident76.3Confident9 Ų949.7 Ų49.77%0.07423%0.234CC..PPolyproline II helixtrans-61.4127163.200000109.6T39 G41 Q74 F77T39-A72 VanDerWaalsContact O-CB 3.26Å; T39-A72 WeakPolarHBondContact O-CB 3.41Å; G41-A72 WeakPolarHBondContact O-CB 3.26Å; G41-A72 PolarHBondContact O-N 3.31Å; A72-Q74 PolarHBondContact O-N 3.08Å; A72-Q74 VanDerWaalsContact O-N 3.1Å; A72-F77 HydrophobicContact CB-CD2 3.5Å; A72-F77 VanDerWaalsContact CB-CD2 3.5Å; A72-F77 HydrophobicContact CB-CE2 3.93Å; A72-F77 HydrophobicContact CB-CG 4.22Å
73G65.1Low75.6Confident12 Ų1251.3 Ų51.312%0.12426%0.255CS..  trans-77.515.1177.300000114.4G14 S16 T71G14-G73 WeakPolarHBondContact O-CA 3.4Å; S16-G73 PolarHBondContact N-O 3.17Å; T71-G73 PolarHBondContact O-N 2.76Å
74Q61.3Low74.8Confident47 Ų4747.3 Ų47.322%0.2224%0.242CC..SBendtrans-93.6133.3178-78.7-175.863.600110.4A72 R76 F77A72-Q74 PolarHBondContact O-N 3.08Å; A72-Q74 VanDerWaalsContact O-N 3.1Å; Q74-R76 PolarHBondContact O-N 3.38Å; Q74-R76 VanDerWaalsContact O-N 3.07Å; Q74-F77 HydrophobicContact CB-CD2 4.07Å; Q74-F77 HydrophobicContact CB-CE2 4.35Å; Q74-F77 PolarHBondContact O-N 2.93Å
75E54.7Low73.9Confident113 Ų11347.3 Ų47.353%0.52824%0.242SC..G310 helixtrans-50.5-30.3176.266.5-63.3148.800113.9F77 R78E75-F77 PolarHBondContact O-N 2.73Å; E75-F77 VanDerWaalsContact O-N 3.14Å; E75-R78 WeakPolarHBondContact O-CB 3.28Å; E75-R78 VanDerWaalsContact O-CG 3.32Å; E75-R78 WeakPolarHBondContact O-CG 3.23Å; E75-R78 PolarHBondContact O-N 2.73Å; E75-R78 VanDerWaalsContact O-N 3.15Å
76R55.5Low73.1Confident182 Ų18255.2 Ų55.269%0.68727%0.271SS*.G310 helixtrans-61.7-20.3178.4-68.4-170.8-70175.4-1.8114.1Q74Q74-R76 PolarHBondContact O-N 3.38Å; Q74-R76 VanDerWaalsContact O-N 3.07Å
77F57.2Low72.6Confident46 Ų4659.2 Ų59.220%0.20229%0.292CS..G310 helixtrans-100.94.6-179.8-59.6-72000113.8V40 A72 Q74 E75 S79 L80 T81V40-F77 HydrophobicContact CG1-CZ 4.48Å; A72-F77 HydrophobicContact CB-CD2 3.5Å; A72-F77 VanDerWaalsContact CB-CD2 3.5Å; A72-F77 HydrophobicContact CB-CE2 3.93Å; A72-F77 HydrophobicContact CB-CG 4.22Å; Q74-F77 HydrophobicContact CB-CD2 4.07Å; Q74-F77 HydrophobicContact CB-CE2 4.35Å; Q74-F77 PolarHBondContact O-N 2.93Å; E75-F77 PolarHBondContact O-N 2.73Å; E75-F77 VanDerWaalsContact O-N 3.14Å; F77-S79 PolarHBondContact O-N 2.85Å; F77-L80 HydrophobicContact CB-CD1 4.44Å; F77-L80 HydrophobicContact CD1-CD1 3.71Å; F77-L80 WeakPolarHBondContact O-CB 3.08Å; F77-L80 PolarHBondContact O-N 3.01Å; F77-T81 PolarHBondContact O-OG1 2.78Å; F77-T81 VanDerWaalsContact O-OG1 3.06Å
78R56.1Low72.3Confident120 Ų12057.8 Ų57.845%0.45329%0.286SS..Hα-helixtrans-55.4-28.3-177.6-77.4178.9-179.2-171.81114.2E75 T81E75-R78 WeakPolarHBondContact O-CB 3.28Å; E75-R78 VanDerWaalsContact O-CG 3.32Å; E75-R78 WeakPolarHBondContact O-CG 3.23Å; E75-R78 PolarHBondContact O-N 2.73Å; E75-R78 VanDerWaalsContact O-N 3.15Å; R78-T81 WeakPolarHBondContact CA-OG1 3.39Å; R78-T81 PolarHBondContact O-N 2.86Å; R78-T81 PolarHBondContact O-OG1 2.69Å
79S56.8Low72.2Confident99 Ų9960.1 Ų60.169%0.69230%0.297SS*.Hα-helixtrans-75.9-26.7177.755.40000114F77 T81F77-S79 PolarHBondContact O-N 2.85Å; S79-T81 PolarHBondContact O-N 3.25Å
80L60Low72.3Confident94 Ų9457.3 Ų57.349%0.49229%0.287SS..Hα-helixtrans-72.3-16.4174.5-81143.8000111.9I42 F77I42-L80 HydrophobicContact CD1-CB 3.96Å; F77-L80 HydrophobicContact CB-CD1 4.44Å; F77-L80 HydrophobicContact CD1-CD1 3.71Å; F77-L80 WeakPolarHBondContact O-CB 3.08Å; F77-L80 PolarHBondContact O-N 3.01Å
81T64.4Low72.6Confident12 Ų1257.3 Ų57.37%0.07429%0.287CS..Hα-helixtrans-86.7-25.5-168.1-25.40000113.3T71 F77 R78 S79 A83 I84 Y85T71-T81 HydrophobicContact CG2-CG2 4.36Å; F77-T81 PolarHBondContact O-OG1 2.78Å; F77-T81 VanDerWaalsContact O-OG1 3.06Å; R78-T81 WeakPolarHBondContact CA-OG1 3.39Å; R78-T81 PolarHBondContact O-N 2.86Å; R78-T81 PolarHBondContact O-OG1 2.69Å; S79-T81 PolarHBondContact O-N 3.25Å; T81-A83 PolarHBondContact O-N 3.13Å; T81-I84 PolarHBondContact O-N 3.18Å; T81-Y85 VanDerWaalsContact C-CD2 3.43Å; T81-Y85 HydrophobicContact CG2-CD2 3.64Å; T81-Y85 HydrophobicContact CG2-CE1 4.23Å; T81-Y85 HydrophobicContact CG2-CE2 3.16Å; T81-Y85 HydrophobicContact CG2-CG 4.34Å; T81-Y85 VanDerWaalsContact CG2-CZ 3.47Å; T81-Y85 WeakPolarHBondContact O-CD2 3.43Å; T81-Y85 PolarHBondContact O-N 3.17Å
82T70.9Confident73.2Confident48 Ų4857.1 Ų57.129%0.29429%0.285SS..Hα-helixtrans-59.3-42.2-173.6-50.80000113.7I84 R86 H116T82-I84 VanDerWaalsContact C-N 3.31Å; T82-I84 PolarHBondContact O-N 3.5Å; T82-R86 PolarHBondContact O-N 3.48Å; T82-H116 HydrophobicContact CG2-CB 4.42Å
83A74.5Confident74Confident77 Ų7756.8 Ų56.864%0.63628%0.283SS*.Hα-helixtrans-66.4-36.4177.300000111.8T81 R86 D87T81-A83 PolarHBondContact O-N 3.13Å; A83-R86 PolarHBondContact O-N 2.89Å; A83-D87 PolarHBondContact O-N 2.83Å
84I75Confident75.5Confident25 Ų2556.3 Ų56.313%0.12828%0.277CS..Hα-helixtrans-72.9-40.3-179.1-56.8175.3000110.5L11 I42 W69 T81 T82 R86 D87 A88L11-I84 HydrophobicContact CD1-CG2 3.51Å; L11-I84 HydrophobicContact CD2-CG2 4.03Å; L11-I84 HydrophobicContact CG-CG2 4.39Å; I42-I84 HydrophobicContact CB-CD1 4.49Å; I42-I84 HydrophobicContact CD1-CD1 3.29Å; I42-I84 HydrophobicContact CG1-CD1 3.75Å; I42-I84 HydrophobicContact CG2-CD1 4.18Å; W69-I84 HydrophobicContact CD2-CG2 4.45Å; W69-I84 HydrophobicContact CG-CG2 4.47Å; T81-I84 PolarHBondContact O-N 3.18Å; T82-I84 VanDerWaalsContact C-N 3.31Å; T82-I84 PolarHBondContact O-N 3.5Å; I84-R86 PolarHBondContact O-N 3.4Å; I84-D87 PolarHBondContact O-N 3.46Å; I84-D87 VanDerWaalsContact O-N 3.15Å; I84-A88 WeakPolarHBondContact O-CB 3.17Å; I84-A88 PolarHBondContact O-N 2.85Å
85Y75.1Confident77.3Confident2 Ų254 Ų541%0.00827%0.267CS..Hα-helixtrans-55.2-38174.4-78.3-61.6000112.4L11 L13 T81 F91 W109 L113 H116L11-Y85 HydrophobicContact CD2-CD1 3.76Å; L11-Y85 HydrophobicContact CD2-CE1 3.93Å; L11-Y85 HydrophobicContact CD2-CG 4.45Å; L13-Y85 HydrophobicContact CD1-CE1 3.64Å; L13-Y85 HydrophobicContact CD2-CE1 3.64Å; L13-Y85 HydrophobicContact CG-CE1 4.27Å; T81-Y85 VanDerWaalsContact C-CD2 3.43Å; T81-Y85 HydrophobicContact CG2-CD2 3.64Å; T81-Y85 HydrophobicContact CG2-CE1 4.23Å; T81-Y85 HydrophobicContact CG2-CE2 3.16Å; T81-Y85 HydrophobicContact CG2-CG 4.34Å; T81-Y85 VanDerWaalsContact CG2-CZ 3.47Å; T81-Y85 WeakPolarHBondContact O-CD2 3.43Å; T81-Y85 PolarHBondContact O-N 3.17Å; Y85-F91 AromaticContact CD1-CE1 3.93Å; Y85-F91 HydrophobicContact CD1-CE1 3.93Å; Y85-W109 WeakPolarHBondContact OH-CZ3 3.48Å; Y85-L113 HydrophobicContact CD1-CD1 3.53Å; Y85-L113 HydrophobicContact CE1-CD1 3.83Å; Y85-H116 HydrophobicContact CD2-CB 3.99Å; Y85-H116 HydrophobicContact CG-CB 4.1Å
86R79.2Confident79.4Confident175 Ų17549.1 Ų49.166%0.6624%0.244SC*.Hα-helixtrans-73.6-30.8-179.5-169.9-178.8-62.5174.90.7113.4T82 A83 I84T82-R86 PolarHBondContact O-N 3.48Å; A83-R86 PolarHBondContact O-N 2.89Å; I84-R86 PolarHBondContact O-N 3.4Å
87D83.9Confident81.4Confident84 Ų8440.5 Ų40.545%0.44921%0.211SC..Hα-helixtrans-93.6-17.5-176.4-169.333.8000112.4K9 A83 I84K9-D87 WeakPolarHBondContact CD-O 3.37Å; K9-D87 WeakPolarHBondContact CD-OD2 3.44Å; K9-D87 IonicContact NZ-OD1 2.9Å; K9-D87 PolarHBondContact NZ-OD1 3.4Å; K9-D87 IonicContact NZ-OD2 3.25Å; K9-D87 PolarHBondContact NZ-OD2 3.43Å; A83-D87 PolarHBondContact O-N 2.83Å; I84-D87 PolarHBondContact O-N 3.46Å; I84-D87 VanDerWaalsContact O-N 3.15Å
88A89.2Confident83.4Confident2 Ų239.9 Ų39.92%0.01721%0.212CC..  trans-71.9134.1172.500000111.2L11 I84 F91 Y118L11-A88 HydrophobicContact CB-CB 3.82Å; L11-A88 HydrophobicContact CD2-CB 4.36Å; I84-A88 WeakPolarHBondContact O-CB 3.17Å; I84-A88 PolarHBondContact O-N 2.85Å; A88-F91 HydrophobicContact CB-CD1 4.39Å; A88-F91 HydrophobicContact CB-CE1 3.49Å; A88-F91 VanDerWaalsContact CB-CE1 3.49Å; A88-F91 HydrophobicContact CB-CZ 3.62Å; A88-Y118 VanDerWaalsContact O-CD1 3.32Å; A88-Y118 WeakPolarHBondContact O-CD1 3.32Å
89M91.9Very high85.4Confident51 Ų5137 Ų3725%0.25121%0.205SC..SBendtrans-89.1-35.9-178.7-59.8176.569.400111.6I8 K9 Y118 L177 I181I8-M89 HydrophobicContact CB-SD 4.49Å; I8-M89 HydrophobicContact CD1-CE 3.77Å; I8-M89 HydrophobicContact CD1-SD 3.92Å; I8-M89 HydrophobicContact CG2-SD 4.33Å; K9-M89 PolarHBondContact O-N 3.39Å; M89-Y118 WeakPolarHBondContact O-CE1 3.41Å; M89-Y118 PolarHBondContact O-OH 2.94Å; M89-L177 VanDerWaalsContact C-CD2 3.47Å; M89-L177 HydrophobicContact CB-CD1 4.34Å; M89-L177 HydrophobicContact CB-CD2 4.06Å; M89-L177 WeakPolarHBondContact O-CD2 3.32Å; M89-I181 HydrophobicContact CE-CD1 3.64Å; M89-I181 HydrophobicContact CE-CG1 4.19Å
90G94.4Very high87.4Confident0 Ų037.7 Ų37.70%020%0.197CC..EExtended strand (participates in β ladder)trans-147.3163.2178.200000112.8L10 L11 D123L10-G90 WeakPolarHBondContact CA-O 3.38Å; L11-G90 PolarHBondContact N-O 2.9Å; G90-D123 WeakPolarHBondContact CA-O 3.49Å
91F95Very high89.2Confident0 Ų038.3 Ų38.30%020%0.201CC..EExtended strand (participates in β ladder)trans-130.7131.3-167.1-54.1-88.7000111.9L11 L13 Y85 A88 L113 A117 P122 D123 V124 V125L11-F91 HydrophobicContact CB-CD1 3.79Å; L11-F91 HydrophobicContact CB-CE1 4.01Å; L11-F91 HydrophobicContact CD2-CD1 4.02Å; L11-F91 HydrophobicContact CD2-CE1 3.82Å; L11-F91 HydrophobicContact CG-CD1 4.39Å; L11-F91 WeakPolarHBondContact O-CA 3.27Å; L13-F91 HydrophobicContact CD1-CB 4.24Å; L13-F91 HydrophobicContact CD1-CD1 3.73Å; L13-F91 HydrophobicContact CD1-CG 4.33Å; Y85-F91 AromaticContact CD1-CE1 3.93Å; Y85-F91 HydrophobicContact CD1-CE1 3.93Å; A88-F91 HydrophobicContact CB-CD1 4.39Å; A88-F91 HydrophobicContact CB-CE1 3.49Å; A88-F91 VanDerWaalsContact CB-CE1 3.49Å; A88-F91 HydrophobicContact CB-CZ 3.62Å; F91-L113 HydrophobicContact CB-CD2 4.03Å; F91-L113 HydrophobicContact CD1-CD1 3.41Å; F91-L113 VanDerWaalsContact CD1-CD1 3.41Å; F91-L113 HydrophobicContact CD1-CD2 4.23Å; F91-L113 HydrophobicContact CD1-CG 4.47Å; F91-L113 HydrophobicContact CD2-CD1 3.8Å; F91-L113 HydrophobicContact CD2-CD2 3.71Å; F91-L113 HydrophobicContact CD2-CG 4.31Å; F91-L113 HydrophobicContact CE1-CD1 3.27Å; F91-L113 HydrophobicContact CE2-CD1 3.69Å; F91-L113 HydrophobicContact CE2-CD2 4.29Å; F91-L113 HydrophobicContact CE2-CG 4.44Å; F91-L113 HydrophobicContact CG-CD1 3.68Å; F91-L113 HydrophobicContact CG-CD2 3.69Å; F91-L113 HydrophobicContact CG-CG 4.34Å; F91-L113 HydrophobicContact CZ-CD1 3.43Å; F91-L113 VanDerWaalsContact CZ-CD1 3.43Å; F91-A117 HydrophobicContact CE2-CB 4.49Å; F91-A117 HydrophobicContact CZ-CB 4.42Å; F91-P122 HydrophobicContact CD2-CB 3.73Å; F91-P122 HydrophobicContact CE2-CB 3.59Å; F91-D123 PolarHBondContact N-O 2.82Å; F91-V124 HydrophobicContact CB-CG1 4.42Å; F91-V124 HydrophobicContact CB-CG2 4.2Å; F91-V124 HydrophobicContact CD2-CG2 4.45Å; F91-V124 WeakPolarHBondContact O-CA 3.33Å; F91-V125 PolarHBondContact O-N 2.91Å
92L97.2Very high90.7Very high1 Ų137.8 Ų37.81%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-100.3108.9167.5-65.5167.8000107.1L11 A12 L13 F23 L24 F94 V125 V170 L173L11-L92 PolarHBondContact O-N 3.3Å; A12-L92 CarbonylContact C-O 3.59Å; A12-L92 WeakPolarHBondContact CA-O 3.48Å; L13-L92 PolarHBondContact N-O 3.18Å; F23-L92 HydrophobicContact CE1-CD1 3.92Å; L24-L92 HydrophobicContact CD2-CD1 4.37Å; L92-F94 HydrophobicContact CB-CD2 4.24Å; L92-F94 HydrophobicContact CB-CE2 3.37Å; L92-F94 HydrophobicContact CB-CZ 3.84Å; L92-F94 HydrophobicContact CD1-CE2 4.45Å; L92-F94 HydrophobicContact CD1-CZ 4.33Å; L92-F94 HydrophobicContact CG-CE2 4.5Å; L92-F94 VanDerWaalsContact O-CD2 3.32Å; L92-F94 WeakPolarHBondContact O-CD2 3.45Å; L92-F94 WeakPolarHBondContact O-CE2 3.45Å; L92-V125 HydrophobicContact CD2-CB 4.14Å; L92-V170 HydrophobicContact CD1-CG2 4.28Å; L92-L173 HydrophobicContact CD2-CD2 3.83Å; L92-L173 HydrophobicContact CG-CD2 3.81Å
93L96.3Very high92Very high3 Ų336.5 Ų36.52%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-100.1121.2-179.3179.854.4000109.2L13 V106 W109 L110 V124 V125 L126 C127L13-L93 HydrophobicContact CB-CD1 3.91Å; L93-V106 HydrophobicContact CD2-CG1 3.76Å; L93-V106 HydrophobicContact CG-CG1 4.42Å; L93-W109 HydrophobicContact CD1-CB 3.58Å; L93-W109 HydrophobicContact CD1-CG 3.98Å; L93-W109 HydrophobicContact CD2-CB 4.34Å; L93-L110 HydrophobicContact CD2-CB 4.44Å; L93-V124 HydrophobicContact CB-CG1 3.85Å; L93-V125 PolarHBondContact N-O 3.41Å; L93-L126 HydrophobicContact CB-CD1 4.34Å; L93-L126 HydrophobicContact CD2-CD1 4.34Å; L93-L126 HydrophobicContact CG-CD1 4.03Å; L93-L126 CarbonylContact O-C 3.59Å; L93-L126 WeakPolarHBondContact O-CA 3.48Å; L93-L126 WeakPolarHBondContact O-CD1 3.23Å; L93-C127 PolarHBondContact O-N 2.97Å
94F97.9Very high93.1Very high1 Ų136.9 Ų36.90%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-109.9142.6-173.1-66.4-96000112.2A12 L13 V18 K20 F23 L92 C127 N129A12-F94 HydrophobicContact CB-CD2 4.4Å; A12-F94 HydrophobicContact CB-CE2 3.87Å; L13-F94 WeakPolarHBondContact O-CD2 3.33Å; L13-F94 PolarHBondContact O-N 3.3Å; V18-F94 HydrophobicContact CB-CB 4.35Å; V18-F94 HydrophobicContact CG2-CB 3.56Å; K20-F94 HydrophobicContact CD-CD2 4.37Å; K20-F94 HydrophobicContact CG-CB 4.2Å; K20-F94 HydrophobicContact CG-CD2 3.82Å; K20-F94 HydrophobicContact CG-CE2 4.45Å; K20-F94 HydrophobicContact CG-CG 4.11Å; F23-F94 HydrophobicContact CB-CE1 3.83Å; F23-F94 HydrophobicContact CB-CZ 4.01Å; F23-F94 AromaticContact CD1-CE1 3.98Å; F23-F94 HydrophobicContact CD1-CE1 3.98Å; F23-F94 AromaticContact CD1-CZ 3.54Å; F23-F94 HydrophobicContact CD1-CZ 3.54Å; F23-F94 AromaticContact CD2-CE1 3.54Å; F23-F94 HydrophobicContact CD2-CE1 3.54Å; F23-F94 AromaticContact CD2-CZ 3.98Å; F23-F94 HydrophobicContact CD2-CZ 3.98Å; F23-F94 HydrophobicContact CE1-CE1 4.47Å; F23-F94 AromaticContact CE1-CZ 3.96Å; F23-F94 HydrophobicContact CE1-CZ 3.96Å; F23-F94 HydrophobicContact CE2-CE1 4.05Å; F23-F94 HydrophobicContact CE2-CZ 4.33Å; F23-F94 AromaticContact CG-CE1 3.5Å; F23-F94 HydrophobicContact CG-CE1 3.5Å; F23-F94 AromaticContact CG-CZ 3.57Å; F23-F94 HydrophobicContact CG-CZ 3.57Å; F23-F94 HydrophobicContact CZ-CE1 4.5Å; F23-F94 HydrophobicContact CZ-CZ 4.34Å; L92-F94 HydrophobicContact CB-CD2 4.24Å; L92-F94 HydrophobicContact CB-CE2 3.37Å; L92-F94 HydrophobicContact CB-CZ 3.84Å; L92-F94 HydrophobicContact CD1-CE2 4.45Å; L92-F94 HydrophobicContact CD1-CZ 4.33Å; L92-F94 HydrophobicContact CG-CE2 4.5Å; L92-F94 VanDerWaalsContact O-CD2 3.32Å; L92-F94 WeakPolarHBondContact O-CD2 3.45Å; L92-F94 WeakPolarHBondContact O-CE2 3.45Å; F94-C127 WeakPolarHBondContact CA-O 3.43Å; F94-C127 HydrophobicContact CD1-CB 3.38Å; F94-C127 HydrophobicContact CE1-CB 3.46Å; F94-C127 VanDerWaalsContact CE1-CB 3.46Å; F94-C127 HydrophobicContact CG-CB 4.03Å; F94-C127 HydrophobicContact CZ-CB 4.19Å; F94-N129 HydrophobicContact CD1-CB 4.21Å
95Y98.3Very high94.1Very high0 Ų038.3 Ų38.30%019%0.187CC..EExtended strand (participates in β ladder)trans-131.2164.4155.875-87.5000109.8V97 F103 V106 L126 C127 A128 N129 V139 G144 Y155Y95-V97 HydrophobicContact CE2-CG1 3.98Å; Y95-F103 HydrophobicContact CD1-CD2 4.3Å; Y95-F103 HydrophobicContact CD2-CB 3.74Å; Y95-F103 HydrophobicContact CD2-CD2 4.11Å; Y95-F103 HydrophobicContact CD2-CG 4.39Å; Y95-F103 HydrophobicContact CE1-CD2 4.07Å; Y95-F103 HydrophobicContact CE2-CB 4.14Å; Y95-F103 AromaticContact CE2-CD2 3.88Å; Y95-F103 HydrophobicContact CE2-CD2 3.88Å; Y95-F103 HydrophobicContact CE2-CG 4.38Å; Y95-F103 HydrophobicContact CG-CB 4.16Å; Y95-F103 HydrophobicContact CG-CD2 4.3Å; Y95-F103 AromaticContact CZ-CD2 3.84Å; Y95-V106 HydrophobicContact CD1-CG2 4.14Å; Y95-V106 HydrophobicContact CG-CG2 4.35Å; Y95-L126 HydrophobicContact CD1-CD1 3.89Å; Y95-L126 HydrophobicContact CD1-CG 4.26Å; Y95-L126 HydrophobicContact CE1-CD1 4.28Å; Y95-L126 HydrophobicContact CE1-CD2 4.25Å; Y95-L126 HydrophobicContact CE1-CG 4.14Å; Y95-C127 PolarHBondContact N-O 3.31Å; Y95-C127 VanDerWaalsContact N-O 3.1Å; Y95-A128 HydrophobicContact CD1-CB 4.39Å; Y95-A128 HydrophobicContact CE1-CB 3.51Å; Y95-A128 HydrophobicContact CE2-CB 4.06Å; Y95-A128 WeakPolarHBondContact OH-CB 3.43Å; Y95-N129 WeakPolarHBondContact O-CB 3.39Å; Y95-N129 PolarHBondContact O-N 3.43Å; Y95-V139 HydrophobicContact CE2-CB 4.04Å; Y95-V139 HydrophobicContact CE2-CG1 3.8Å; Y95-V139 HydrophobicContact CE2-CG2 4.36Å; Y95-G144 WeakPolarHBondContact OH-CA 3.45Å; Y95-Y155 HydrophobicContact CE1-CE2 4.23Å; Y95-Y155 PolarHBondContact OH-OH 2.92Å
96D98.4Very high95Very high10 Ų1038.2 Ų38.25%0.05319%0.187CC..EExtended strand (participates in β ladder)trans-101.1123177177.6-4.6000109.5V18 T98 N99 S102 K130V18-D96 HydrophobicContact CB-CB 4.26Å; V18-D96 HydrophobicContact CG1-CB 4.21Å; D96-T98 PolarHBondContact O-N 3.46Å; D96-T98 VanDerWaalsContact O-N 3.08Å; D96-T98 PolarHBondContact OD1-N 3.44Å; D96-T98 PolarHBondContact OD1-OG1 2.91Å; D96-T98 VanDerWaalsContact OD1-OG1 3.08Å; D96-T98 PolarHBondContact OD2-OG1 2.92Å; D96-N99 HydrophobicContact CB-CB 4.06Å; D96-N99 CarbonylContact O-C 3.54Å; D96-N99 PolarHBondContact O-N 3.01Å; D96-S102 PolarHBondContact N-OG 3.18Å; D96-S102 PolarHBondContact O-OG 2.83Å; D96-K130 WeakPolarHBondContact OD1-CD 3.29Å; D96-K130 WeakPolarHBondContact OD2-CD 3.5Å; D96-K130 VanDerWaalsContact OD2-CE 3.23Å; D96-K130 WeakPolarHBondContact OD2-CE 3.23Å; D96-K130 IonicContact OD2-NZ 3.94Å; D96-K130 PolarHBondContact OD2-NZ 2.89Å
97V98.8Very high95.7Very high0 Ų034.8 Ų34.80%017%0.174CC..THydrogen-bonded Turntrans-63.5-15.1-179-59.60000113.6Y95 A128 N129 K130 V131 R137 V138 V139Y95-V97 HydrophobicContact CE2-CG1 3.98Å; V97-A128 HydrophobicContact CG1-CB 3.85Å; V97-N129 WeakPolarHBondContact CG2-O 3.5Å; V97-N129 PolarHBondContact N-O 3.39Å; V97-K130 WeakPolarHBondContact CG2-O 3.35Å; V97-V131 HydrophobicContact CG1-CG1 3.89Å; V97-V131 HydrophobicContact CG2-CG1 4.28Å; V97-R137 HydrophobicContact CB-CG 4.38Å; V97-V138 PolarHBondContact O-N 2.9Å; V97-V139 PolarHBondContact O-N 3.45Å; V97-V139 VanDerWaalsContact O-N 3.11Å
98T98.5Very high96.1Very high34 Ų3435.2 Ų35.221%0.20918%0.176CC..THydrogen-bonded Turntrans-94.94.1174.983.30000113.1D96 L133 Q136 V138D96-T98 PolarHBondContact O-N 3.46Å; D96-T98 VanDerWaalsContact O-N 3.08Å; D96-T98 PolarHBondContact OD1-N 3.44Å; D96-T98 PolarHBondContact OD1-OG1 2.91Å; D96-T98 VanDerWaalsContact OD1-OG1 3.08Å; D96-T98 PolarHBondContact OD2-OG1 2.92Å; T98-L133 HydrophobicContact CG2-CB 3.72Å; T98-L133 HydrophobicContact CG2-CD1 4.03Å; T98-Q136 WeakPolarHBondContact CA-O 3.35Å; T98-Q136 VanDerWaalsContact CB-O 3.29Å; T98-Q136 WeakPolarHBondContact CB-O 3.38Å; T98-Q136 HydrophobicContact CG2-CB 3.66Å; T98-V138 VanDerWaalsContact C-CG2 3.48Å
99N98Very high96.2Very high58 Ų5835.8 Ų35.831%0.3118%0.178SC..  trans-136.298-178.8-178.6-5.8000111.5D96 N101 S102 F103D96-N99 HydrophobicContact CB-CB 4.06Å; D96-N99 CarbonylContact O-C 3.54Å; D96-N99 PolarHBondContact O-N 3.01Å; N99-N101 VanDerWaalsContact C-N 3.3Å; N99-N101 PolarHBondContact O-N 2.83Å; N99-N101 WeakPolarHBondContact OD1-CB 3.43Å; N99-N101 PolarHBondContact OD1-N 3.32Å; N99-N101 VanDerWaalsContact OD1-N 3.14Å; N99-S102 PolarHBondContact O-N 3.05Å; N99-S102 VanDerWaalsContact O-N 3.12Å; N99-S102 PolarHBondContact O-OG 3.04Å; N99-S102 PolarHBondContact OD1-N 2.92Å; N99-F103 PolarHBondContact O-N 3.4Å
100E98.1Very high96Very high114 Ų11434.3 Ų34.353%0.53317%0.171SC..Hα-helixtrans-57.7-37.7180-173.6175.9-14700113.2S102 F103 L104 V138 V139E100-S102 VanDerWaalsContact C-N 3.28Å; E100-S102 PolarHBondContact O-N 2.95Å; E100-F103 WeakPolarHBondContact O-CA 3.34Å; E100-F103 WeakPolarHBondContact O-CB 3.43Å; E100-F103 PolarHBondContact O-N 3.36Å; E100-L104 HydrophobicContact CG-CD1 4.34Å; E100-L104 HydrophobicContact CG-CG 4.39Å; E100-L104 WeakPolarHBondContact O-CG 3.38Å; E100-L104 PolarHBondContact O-N 3.29Å; E100-V138 HydrophobicContact CB-CG2 4.04Å; E100-V139 HydrophobicContact CB-CG2 4.46Å
101N97.4Very high95.7Very high107 Ų10736.9 Ų36.957%0.57219%0.192SC*.Hα-helixtrans-61.2-39.2178.5-70.3-36.2000111.7N99 F103 L104 N105N99-N101 VanDerWaalsContact C-N 3.3Å; N99-N101 PolarHBondContact O-N 2.83Å; N99-N101 WeakPolarHBondContact OD1-CB 3.43Å; N99-N101 PolarHBondContact OD1-N 3.32Å; N99-N101 VanDerWaalsContact OD1-N 3.14Å; N101-F103 PolarHBondContact O-N 3.43Å; N101-L104 PolarHBondContact O-N 2.92Å; N101-N105 WeakPolarHBondContact O-CB 3.32Å; N101-N105 PolarHBondContact O-N 2.74Å; N101-N105 PolarHBondContact O-ND2 3.36Å
102S97.2Very high95.1Very high1 Ų138.5 Ų38.51%0.00720%0.2CC..Hα-helixtrans-64.6-31.3177.275.50000112.5D96 N99 E100D96-S102 PolarHBondContact N-OG 3.18Å; D96-S102 PolarHBondContact O-OG 2.83Å; N99-S102 PolarHBondContact O-N 3.05Å; N99-S102 VanDerWaalsContact O-N 3.12Å; N99-S102 PolarHBondContact O-OG 3.04Å; N99-S102 PolarHBondContact OD1-N 2.92Å; E100-S102 VanDerWaalsContact C-N 3.28Å; E100-S102 PolarHBondContact O-N 2.95Å
103F98.5Very high94.6Very high22 Ų2238.6 Ų38.610%0.09620%0.2CC..Hα-helixtrans-72.5-43.3174168.5-106.2000111.9Y95 N99 E100 N101 N105 V106 V139 D143 L147Y95-F103 HydrophobicContact CD1-CD2 4.3Å; Y95-F103 HydrophobicContact CD2-CB 3.74Å; Y95-F103 HydrophobicContact CD2-CD2 4.11Å; Y95-F103 HydrophobicContact CD2-CG 4.39Å; Y95-F103 HydrophobicContact CE1-CD2 4.07Å; Y95-F103 HydrophobicContact CE2-CB 4.14Å; Y95-F103 AromaticContact CE2-CD2 3.88Å; Y95-F103 HydrophobicContact CE2-CD2 3.88Å; Y95-F103 HydrophobicContact CE2-CG 4.38Å; Y95-F103 HydrophobicContact CG-CB 4.16Å; Y95-F103 HydrophobicContact CG-CD2 4.3Å; Y95-F103 AromaticContact CZ-CD2 3.84Å; N99-F103 PolarHBondContact O-N 3.4Å; E100-F103 WeakPolarHBondContact O-CA 3.34Å; E100-F103 WeakPolarHBondContact O-CB 3.43Å; E100-F103 PolarHBondContact O-N 3.36Å; N101-F103 PolarHBondContact O-N 3.43Å; F103-N105 VanDerWaalsContact C-N 3.28Å; F103-N105 PolarHBondContact O-N 3Å; F103-V106 VanDerWaalsContact O-CB 3.29Å; F103-V106 WeakPolarHBondContact O-CB 3.36Å; F103-V106 VanDerWaalsContact O-CG2 3.27Å; F103-V106 WeakPolarHBondContact O-CG2 3.42Å; F103-V106 PolarHBondContact O-N 2.87Å; F103-V139 HydrophobicContact CB-CG1 4.3Å; F103-V139 HydrophobicContact CB-CG2 3.76Å; F103-V139 HydrophobicContact CD1-CG1 4.02Å; F103-V139 HydrophobicContact CD1-CG2 4.27Å; F103-V139 HydrophobicContact CD2-CG1 3.77Å; F103-V139 HydrophobicContact CE1-CG1 4.25Å; F103-V139 HydrophobicContact CE2-CG1 4Å; F103-V139 HydrophobicContact CG-CG1 3.76Å; F103-V139 HydrophobicContact CG-CG2 4.03Å; F103-V139 HydrophobicContact CZ-CG1 4.24Å; F103-D143 HydrophobicContact CE1-CB 4.47Å; F103-D143 HydrophobicContact CZ-CB 4.07Å; F103-L147 HydrophobicContact CD2-CD2 3.81Å; F103-L147 HydrophobicContact CE2-CB 3.86Å; F103-L147 HydrophobicContact CE2-CD2 3.28Å; F103-L147 HydrophobicContact CE2-CG 4.19Å; F103-L147 HydrophobicContact CZ-CB 3.97Å; F103-L147 HydrophobicContact CZ-CD2 3.81Å; F103-L147 HydrophobicContact CZ-CG 4.47Å
104L97Very high93.9Very high85 Ų8541.5 Ų41.545%0.44522%0.221SC..Hα-helixtrans-61.7-38.2176.7-64.8176.4000111.8E100 N101 V106E100-L104 HydrophobicContact CG-CD1 4.34Å; E100-L104 HydrophobicContact CG-CG 4.39Å; E100-L104 WeakPolarHBondContact O-CG 3.38Å; E100-L104 PolarHBondContact O-N 3.29Å; N101-L104 PolarHBondContact O-N 2.92Å; L104-V106 PolarHBondContact O-N 2.77Å
105N95.5Very high93.1Very high55 Ų5546.4 Ų46.429%0.29425%0.251SS..THydrogen-bonded Turntrans-70.7-10.2179.5-69.8-17.6000114.3D15 N101 F103 R107 D108 W109D15-N105 PolarHBondContact OD2-ND2 3.12Å; N101-N105 WeakPolarHBondContact O-CB 3.32Å; N101-N105 PolarHBondContact O-N 2.74Å; N101-N105 PolarHBondContact O-ND2 3.36Å; F103-N105 VanDerWaalsContact C-N 3.28Å; F103-N105 PolarHBondContact O-N 3Å; N105-R107 PolarHBondContact O-N 2.89Å; N105-D108 PolarHBondContact O-N 2.91Å; N105-W109 VanDerWaalsContact O-CD1 3.24Å; N105-W109 PolarHBondContact O-N 3.37Å
106V95.3Very high92.1Very high0 Ų049.5 Ų49.50%027%0.265CS..Hα-helixtrans-54.9-39.6177.21690000111.4L93 Y95 F103 L104 D108 W109 L110 L126 L147 L151L93-V106 HydrophobicContact CD2-CG1 3.76Å; L93-V106 HydrophobicContact CG-CG1 4.42Å; Y95-V106 HydrophobicContact CD1-CG2 4.14Å; Y95-V106 HydrophobicContact CG-CG2 4.35Å; F103-V106 VanDerWaalsContact O-CB 3.29Å; F103-V106 WeakPolarHBondContact O-CB 3.36Å; F103-V106 VanDerWaalsContact O-CG2 3.27Å; F103-V106 WeakPolarHBondContact O-CG2 3.42Å; F103-V106 PolarHBondContact O-N 2.87Å; L104-V106 PolarHBondContact O-N 2.77Å; V106-D108 VanDerWaalsContact C-N 3.35Å; V106-D108 PolarHBondContact O-N 2.8Å; V106-W109 PolarHBondContact O-N 3.02Å; V106-L110 PolarHBondContact O-N 2.83Å; V106-L126 HydrophobicContact CG1-CD1 3.75Å; V106-L126 HydrophobicContact CG1-CD2 4.35Å; V106-L126 HydrophobicContact CG2-CD1 4.01Å; V106-L147 HydrophobicContact CB-CD2 3.92Å; V106-L147 HydrophobicContact CG1-CD2 3.79Å; V106-L147 HydrophobicContact CG2-CD2 4.39Å; V106-L151 HydrophobicContact CG1-CD1 4.09Å
107R94Very high91Very high103 Ų10349.8 Ų49.839%0.38927%0.269SS..Hα-helixtrans-63.5-40.5178.2-67.7-173.7175.586.8-4.3111.9N105 L110 A111 L147 E150N105-R107 PolarHBondContact O-N 2.89Å; R107-L110 PolarHBondContact O-N 2.91Å; R107-A111 WeakPolarHBondContact O-CB 3.13Å; R107-A111 PolarHBondContact O-N 2.6Å; R107-L147 HydrophobicContact CG-CD1 4.14Å; R107-E150 IonicContact NH2-OE2 2.67Å; R107-E150 PolarHBondContact NH2-OE2 3.15Å
108D91.2Very high89.9Confident92 Ų9254.8 Ų54.849%0.49229%0.289SS..Hα-helixtrans-69-36.9178.6-70.9-7.4000112.1N105 V106 Q112N105-D108 PolarHBondContact O-N 2.91Å; V106-D108 VanDerWaalsContact C-N 3.35Å; V106-D108 PolarHBondContact O-N 2.8Å; D108-Q112 WeakPolarHBondContact O-CG 3.41Å; D108-Q112 PolarHBondContact O-N 3.33Å; D108-Q112 VanDerWaalsContact O-N 3.1Å; D108-Q112 PolarHBondContact O-NE2 3.02Å
109W90.8Very high88.7Confident14 Ų1454.7 Ų54.75%0.05329%0.289CS..Hα-helixtrans-64.5-44.4172.8-79.9107.2000111.6L13 G14 D15 Y85 L93 N105 V106 Q112 L113L13-W109 HydrophobicContact CB-CE3 4.28Å; L13-W109 HydrophobicContact CD2-CE3 4.41Å; L13-W109 HydrophobicContact CD2-CZ3 4.2Å; G14-W109 VanDerWaalsContact C-CE2 3.49Å; G14-W109 VanDerWaalsContact C-CZ2 3.46Å; G14-W109 VanDerWaalsContact O-CZ2 3.29Å; G14-W109 WeakPolarHBondContact O-CZ2 3.34Å; D15-W109 PolarHBondContact OD1-NE1 2.84Å; Y85-W109 WeakPolarHBondContact OH-CZ3 3.48Å; L93-W109 HydrophobicContact CD1-CB 3.58Å; L93-W109 HydrophobicContact CD1-CG 3.98Å; L93-W109 HydrophobicContact CD2-CB 4.34Å; N105-W109 VanDerWaalsContact O-CD1 3.24Å; N105-W109 PolarHBondContact O-N 3.37Å; V106-W109 PolarHBondContact O-N 3.02Å; W109-Q112 PolarHBondContact O-N 3.28Å; W109-L113 PolarHBondContact O-N 3.33Å
110L89.4Confident87.5Confident20 Ų2059.7 Ų59.711%0.10531%0.311CS..Hα-helixtrans-67.6-39.6178.6-16769.3000111.8L93 V106 R107 Q112 L113 S114 V124 L151L93-L110 HydrophobicContact CD2-CB 4.44Å; V106-L110 PolarHBondContact O-N 2.83Å; R107-L110 PolarHBondContact O-N 2.91Å; L110-Q112 VanDerWaalsContact C-N 3.33Å; L110-Q112 PolarHBondContact O-N 3.42Å; L110-L113 HydrophobicContact CD1-CD2 4.08Å; L110-L113 WeakPolarHBondContact O-CA 3.34Å; L110-L113 WeakPolarHBondContact O-CB 3.4Å; L110-L113 PolarHBondContact O-N 2.83Å; L110-L113 VanDerWaalsContact O-N 3.08Å; L110-S114 PolarHBondContact O-N 2.81Å; L110-S114 PolarHBondContact O-OG 3.22Å; L110-V124 HydrophobicContact CD1-CG2 4.07Å; L110-L151 HydrophobicContact CD2-CB 3.86Å; L110-L151 HydrophobicContact CD2-CD1 3.86Å; L110-L151 HydrophobicContact CD2-CD2 3.91Å; L110-L151 HydrophobicContact CD2-CG 4.07Å
111A86.9Confident86.7Confident55 Ų5560 Ų6046%0.45532%0.316SS..Hα-helixtrans-61.1-40.8175.100000112.2R107 L113 S114 T115R107-A111 WeakPolarHBondContact O-CB 3.13Å; R107-A111 PolarHBondContact O-N 2.6Å; A111-L113 VanDerWaalsContact C-N 3.3Å; A111-L113 PolarHBondContact O-N 2.87Å; A111-S114 PolarHBondContact O-N 3.4Å; A111-T115 PolarHBondContact O-N 2.88Å; A111-T115 VanDerWaalsContact O-N 3.13Å; A111-T115 PolarHBondContact O-OG1 2.9Å
112Q83.3Confident86.2Confident34 Ų3455.7 Ų55.716%0.15929%0.294CS..Hα-helixtrans-63.4-38.7172.8-75.7172.359.700111.9D108 W109 L110 T115 H116D108-Q112 WeakPolarHBondContact O-CG 3.41Å; D108-Q112 PolarHBondContact O-N 3.33Å; D108-Q112 VanDerWaalsContact O-N 3.1Å; D108-Q112 PolarHBondContact O-NE2 3.02Å; W109-Q112 PolarHBondContact O-N 3.28Å; L110-Q112 VanDerWaalsContact C-N 3.33Å; L110-Q112 PolarHBondContact O-N 3.42Å; Q112-T115 PolarHBondContact O-N 3.5Å; Q112-H116 PolarHBondContact O-N 2.82Å; Q112-H116 PolarHBondContact O-ND1 3.35Å; Q112-H116 VanDerWaalsContact O-ND1 3.16Å
113L85Confident86.1Confident2 Ų256.5 Ų56.51%0.0130%0.298CS..Hα-helixtrans-64.5-50.9177-176.866.3000111L13 Y85 F91 W109 L110 A111 T115 H116 A117 P122 V124L13-L113 HydrophobicContact CD1-CD1 4.27Å; Y85-L113 HydrophobicContact CD1-CD1 3.53Å; Y85-L113 HydrophobicContact CE1-CD1 3.83Å; F91-L113 HydrophobicContact CB-CD2 4.03Å; F91-L113 HydrophobicContact CD1-CD1 3.41Å; F91-L113 VanDerWaalsContact CD1-CD1 3.41Å; F91-L113 HydrophobicContact CD1-CD2 4.23Å; F91-L113 HydrophobicContact CD1-CG 4.47Å; F91-L113 HydrophobicContact CD2-CD1 3.8Å; F91-L113 HydrophobicContact CD2-CD2 3.71Å; F91-L113 HydrophobicContact CD2-CG 4.31Å; F91-L113 HydrophobicContact CE1-CD1 3.27Å; F91-L113 HydrophobicContact CE2-CD1 3.69Å; F91-L113 HydrophobicContact CE2-CD2 4.29Å; F91-L113 HydrophobicContact CE2-CG 4.44Å; F91-L113 HydrophobicContact CG-CD1 3.68Å; F91-L113 HydrophobicContact CG-CD2 3.69Å; F91-L113 HydrophobicContact CG-CG 4.34Å; F91-L113 HydrophobicContact CZ-CD1 3.43Å; F91-L113 VanDerWaalsContact CZ-CD1 3.43Å; W109-L113 PolarHBondContact O-N 3.33Å; L110-L113 HydrophobicContact CD1-CD2 4.08Å; L110-L113 WeakPolarHBondContact O-CA 3.34Å; L110-L113 WeakPolarHBondContact O-CB 3.4Å; L110-L113 PolarHBondContact O-N 2.83Å; L110-L113 VanDerWaalsContact O-N 3.08Å; A111-L113 VanDerWaalsContact C-N 3.3Å; A111-L113 PolarHBondContact O-N 2.87Å; L113-T115 PolarHBondContact O-N 3.44Å; L113-T115 VanDerWaalsContact O-N 3.13Å; L113-H116 PolarHBondContact O-N 3.49Å; L113-A117 HydrophobicContact CD1-CB 3.99Å; L113-A117 HydrophobicContact CG-CB 4.24Å; L113-A117 WeakPolarHBondContact O-CB 3.26Å; L113-A117 PolarHBondContact O-N 3.31Å; L113-P122 HydrophobicContact CD2-CB 4.08Å; L113-P122 HydrophobicContact CD2-CG 3.56Å; L113-P122 HydrophobicContact CG-CB 4.4Å; L113-P122 HydrophobicContact CG-CG 3.79Å; L113-V124 HydrophobicContact CD2-CG2 3.5Å
114S81.9Confident85.9Confident64 Ų6455.7 Ų55.745%0.44830%0.295SS..Hα-helixtrans-59.5-25.4177.4-60.80000113.2L110 A111L110-S114 PolarHBondContact O-N 2.81Å; L110-S114 PolarHBondContact O-OG 3.22Å; A111-S114 PolarHBondContact O-N 3.4Å
115T81.1Confident86Confident105 Ų10551.6 Ų51.664%0.64427%0.274SS*.Hα-helixtrans-79.1-29.3176.9-54.50000112.9A111 Q112 L113A111-T115 PolarHBondContact O-N 2.88Å; A111-T115 VanDerWaalsContact O-N 3.13Å; A111-T115 PolarHBondContact O-OG1 2.9Å; Q112-T115 PolarHBondContact O-N 3.5Å; L113-T115 PolarHBondContact O-N 3.44Å; L113-T115 VanDerWaalsContact O-N 3.13Å
116H79Confident86.1Confident64 Ų6449 Ų4930%0.29626%0.26SS..Hα-helixtrans-121.9-14.1-167.8-58.8138000115.4T82 Y85 Q112 L113T82-H116 HydrophobicContact CG2-CB 4.42Å; Y85-H116 HydrophobicContact CD2-CB 3.99Å; Y85-H116 HydrophobicContact CG-CB 4.1Å; Q112-H116 PolarHBondContact O-N 2.82Å; Q112-H116 PolarHBondContact O-ND1 3.35Å; Q112-H116 VanDerWaalsContact O-ND1 3.16Å; L113-H116 PolarHBondContact O-N 3.49Å
117A74.8Confident86.3Confident17 Ų1749 Ų4914%0.1426%0.26CS..SBendtrans-66.2162.6178.600000111.8F91 L113 C119 P122F91-A117 HydrophobicContact CE2-CB 4.49Å; F91-A117 HydrophobicContact CZ-CB 4.42Å; L113-A117 HydrophobicContact CD1-CB 3.99Å; L113-A117 HydrophobicContact CG-CB 4.24Å; L113-A117 WeakPolarHBondContact O-CB 3.26Å; L113-A117 PolarHBondContact O-N 3.31Å; A117-C119 PolarHBondContact O-N 2.75Å; A117-P122 HydrophobicContact CB-CB 4.12Å; A117-P122 HydrophobicContact CB-CG 4.17Å
118Y75Confident86.5Confident104 Ų10444.1 Ų44.141%0.40824%0.241SC..SBendtrans-69.1-16.4-179.973.4-88.3000113.9A88 M89A88-Y118 VanDerWaalsContact O-CD1 3.32Å; A88-Y118 WeakPolarHBondContact O-CD1 3.32Å; M89-Y118 WeakPolarHBondContact O-CE1 3.41Å; M89-Y118 PolarHBondContact O-OH 2.94Å
119C74.4Confident86.9Confident33 Ų3339.8 Ų39.822%0.22322%0.218CC..SBendtrans-142.7159.7177.766.30000111.2A117 N121 R180A117-C119 PolarHBondContact O-N 2.75Å; C119-N121 PolarHBondContact O-N 2.89Å; C119-N121 VanDerWaalsContact SG-C 3.55Å; C119-N121 PolarHBondContact SG-O 2.83Å; C119-R180 PolarHBondContact SG-NH1 2.87Å; C119-R180 VanDerWaalsContact SG-NH1 3.4Å
120E72.6Confident87.2Confident163 Ų16341.5 Ų41.576%0.76223%0.226SC*.SBendtrans-63.6-30.9-179.6-64-179169.500112.6P122E120-P122 VanDerWaalsContact C-CD 3.46Å; E120-P122 VanDerWaalsContact O-CD 3.27Å; E120-P122 WeakPolarHBondContact O-CD 3.45Å
121N80.8Confident87.7Confident121 Ų12141.3 Ų41.365%0.64723%0.226SC*.SBendtrans-121.173.6-177.1-61.6-40.1000110.7C119 R180C119-N121 PolarHBondContact O-N 2.89Å; C119-N121 VanDerWaalsContact SG-C 3.55Å; C119-N121 PolarHBondContact SG-O 2.83Å; N121-R180 PolarHBondContact O-NH1 2.96Å; N121-R180 PolarHBondContact O-NH2 2.98Å
122P87.3Confident88.2Confident16 Ų1641.9 Ų41.910%0.10422%0.221CC..  trans-65.3148.7177.126.9-32000111F91 L113 A117 E120 V124F91-P122 HydrophobicContact CD2-CB 3.73Å; F91-P122 HydrophobicContact CE2-CB 3.59Å; L113-P122 HydrophobicContact CD2-CB 4.08Å; L113-P122 HydrophobicContact CD2-CG 3.56Å; L113-P122 HydrophobicContact CG-CB 4.4Å; L113-P122 HydrophobicContact CG-CG 3.79Å; A117-P122 HydrophobicContact CB-CB 4.12Å; A117-P122 HydrophobicContact CB-CG 4.17Å; E120-P122 VanDerWaalsContact C-CD 3.46Å; E120-P122 VanDerWaalsContact O-CD 3.27Å; E120-P122 WeakPolarHBondContact O-CD 3.45Å; P122-V124 HydrophobicContact CB-CG2 4.38Å; P122-V124 HydrophobicContact CG-CG2 4.19Å; P122-V124 PolarHBondContact O-N 2.91Å
123D93.8Very high88.9Confident18 Ų1842.9 Ų42.910%0.09623%0.227CC..EExtended strand (participates in β ladder)trans-75.2118.4173.9-61.8-57.6000109.4G90 F91 L173 L176 L177 R180G90-D123 WeakPolarHBondContact CA-O 3.49Å; F91-D123 PolarHBondContact N-O 2.82Å; D123-L173 HydrophobicContact CB-CD1 3.88Å; D123-L173 WeakPolarHBondContact O-CD1 3.31Å; D123-L176 HydrophobicContact CB-CB 4.19Å; D123-L176 HydrophobicContact CB-CD1 4.48Å; D123-L177 HydrophobicContact CB-CD2 3.96Å; D123-L177 HydrophobicContact CB-CG 4.49Å; D123-L177 WeakPolarHBondContact OD2-CD2 3.29Å; D123-R180 IonicContact OD1-CZ 2.82Å; D123-R180 IonicContact OD1-NE 3.37Å; D123-R180 IonicContact OD1-NH2 3.26Å; D123-R180 PolarHBondContact OD1-NH2 3.48Å; D123-R180 IonicContact OD2-CZ 3.98Å; D123-R180 IonicContact OD2-NE 3.18Å; D123-R180 PolarHBondContact OD2-NE 3.45Å; D123-R180 IonicContact OD2-NH2 3.85Å; D123-R180 PolarHBondContact OD2-NH2 3.43Å
124V95.5Very high89.5Confident4 Ų448 Ų482%0.02425%0.251CS..EExtended strand (participates in β ladder)trans-130134.2-175.5-171.40000110.4F91 L93 L110 L113 P122 I153 Y154F91-V124 HydrophobicContact CB-CG1 4.42Å; F91-V124 HydrophobicContact CB-CG2 4.2Å; F91-V124 HydrophobicContact CD2-CG2 4.45Å; F91-V124 WeakPolarHBondContact O-CA 3.33Å; L93-V124 HydrophobicContact CB-CG1 3.85Å; L110-V124 HydrophobicContact CD1-CG2 4.07Å; L113-V124 HydrophobicContact CD2-CG2 3.5Å; P122-V124 HydrophobicContact CB-CG2 4.38Å; P122-V124 HydrophobicContact CG-CG2 4.19Å; P122-V124 PolarHBondContact O-N 2.91Å; V124-I153 HydrophobicContact CB-CB 4.24Å; V124-I153 HydrophobicContact CB-CG2 3.88Å; V124-I153 HydrophobicContact CG1-CD1 4.25Å; V124-I153 HydrophobicContact CG1-CG2 4.48Å; V124-I153 HydrophobicContact CG2-CG2 4.44Å; V124-Y154 PolarHBondContact O-N 3.09Å
125V98.2Very high90.3Very high0 Ų057.1 Ų57.10%028%0.276CS..EExtended strand (participates in β ladder)trans-112.1120.4165.2177.50000108.4F91 L92 L93 L156 A169 T172 L173F91-V125 PolarHBondContact O-N 2.91Å; L92-V125 HydrophobicContact CD2-CB 4.14Å; L93-V125 PolarHBondContact N-O 3.41Å; V125-L156 HydrophobicContact CG1-CD1 4.01Å; V125-L156 HydrophobicContact CG1-CG 4.5Å; V125-A169 HydrophobicContact CG1-CB 4.28Å; V125-T172 HydrophobicContact CG2-CG2 4.15Å; V125-L173 HydrophobicContact CG2-CB 3.79Å; V125-L173 HydrophobicContact CG2-CD1 4.28Å
126L98.5Very high91.1Very high0 Ų057.7 Ų57.70%027%0.271CS..EExtended strand (participates in β ladder)trans-81113.3171.7-175.661.2000109.7L93 Y95 V106 L147 A148 I153 Y154 Y155 L156L93-L126 HydrophobicContact CB-CD1 4.34Å; L93-L126 HydrophobicContact CD2-CD1 4.34Å; L93-L126 HydrophobicContact CG-CD1 4.03Å; L93-L126 CarbonylContact O-C 3.59Å; L93-L126 WeakPolarHBondContact O-CA 3.48Å; L93-L126 WeakPolarHBondContact O-CD1 3.23Å; Y95-L126 HydrophobicContact CD1-CD1 3.89Å; Y95-L126 HydrophobicContact CD1-CG 4.26Å; Y95-L126 HydrophobicContact CE1-CD1 4.28Å; Y95-L126 HydrophobicContact CE1-CD2 4.25Å; Y95-L126 HydrophobicContact CE1-CG 4.14Å; V106-L126 HydrophobicContact CG1-CD1 3.75Å; V106-L126 HydrophobicContact CG1-CD2 4.35Å; V106-L126 HydrophobicContact CG2-CD1 4.01Å; L126-L147 HydrophobicContact CD2-CD2 4.36Å; L126-A148 HydrophobicContact CD2-CB 4.15Å; L126-I153 HydrophobicContact CB-CD1 3.84Å; L126-I153 HydrophobicContact CB-CG1 4.26Å; L126-I153 HydrophobicContact CD2-CD1 4.39Å; L126-Y154 WeakPolarHBondContact CB-O 3.36Å; L126-Y154 PolarHBondContact N-O 3.35Å; L126-Y155 HydrophobicContact CD2-CD2 4.1Å; L126-Y155 HydrophobicContact CG-CD2 4.28Å; L126-Y155 WeakPolarHBondContact O-CA 3.48Å; L126-L156 PolarHBondContact O-N 3.12Å
127C98.7Very high92Very high0 Ų056.8 Ų56.80%027%0.265CS..EExtended strand (participates in β ladder)trans-99.6106.3178.2-64.30000110.1L93 F94 Y95 N129 L156 T158L93-C127 PolarHBondContact O-N 2.97Å; F94-C127 WeakPolarHBondContact CA-O 3.43Å; F94-C127 HydrophobicContact CD1-CB 3.38Å; F94-C127 HydrophobicContact CE1-CB 3.46Å; F94-C127 VanDerWaalsContact CE1-CB 3.46Å; F94-C127 HydrophobicContact CG-CB 4.03Å; F94-C127 HydrophobicContact CZ-CB 4.19Å; Y95-C127 PolarHBondContact N-O 3.31Å; Y95-C127 VanDerWaalsContact N-O 3.1Å; C127-N129 PolarHBondContact O-N 2.9Å; C127-L156 CarbonylContact C-O 3.51Å; C127-L156 WeakPolarHBondContact CA-O 3.29Å; C127-T158 HydrophobicContact CB-CG2 4.28Å
128A98.8Very high93.1Very high0 Ų059.9 Ų59.90%028%0.282CS..EExtended strand (participates in β ladder)trans-78.296166.700000108.7Y95 V97 V131 Y155 L156 E157 T158Y95-A128 HydrophobicContact CD1-CB 4.39Å; Y95-A128 HydrophobicContact CE1-CB 3.51Å; Y95-A128 HydrophobicContact CE2-CB 4.06Å; Y95-A128 WeakPolarHBondContact OH-CB 3.43Å; V97-A128 HydrophobicContact CG1-CB 3.85Å; A128-V131 WeakPolarHBondContact O-CG1 3.33Å; A128-Y155 HydrophobicContact CB-CE2 3.68Å; A128-Y155 WeakPolarHBondContact CB-OH 3.33Å; A128-L156 PolarHBondContact N-O 3.42Å; A128-E157 HydrophobicContact CB-CG 4.08Å; A128-E157 CarbonylContact O-C 3.42Å; A128-E157 WeakPolarHBondContact O-CA 3.39Å; A128-T158 PolarHBondContact O-N 2.89Å; A128-T158 PolarHBondContact O-OG1 3.39Å
129N98.8Very high94.3Very high2 Ų255.1 Ų55.11%0.01126%0.264CS..EExtended strand (participates in β ladder)trans-93.1163.5-168.6-164.325.5000112.6V18 F94 Y95 V97 C127 T158 A160V18-N129 PolarHBondContact O-ND2 3.14Å; F94-N129 HydrophobicContact CD1-CB 4.21Å; Y95-N129 WeakPolarHBondContact O-CB 3.39Å; Y95-N129 PolarHBondContact O-N 3.43Å; V97-N129 WeakPolarHBondContact CG2-O 3.5Å; V97-N129 PolarHBondContact N-O 3.39Å; C127-N129 PolarHBondContact O-N 2.9Å; N129-T158 CarbonylContact C-O 3.58Å; N129-T158 VanDerWaalsContact CA-O 3.31Å; N129-T158 WeakPolarHBondContact CA-O 3.46Å; N129-T158 WeakPolarHBondContact CA-OG1 3.44Å; N129-T158 PolarHBondContact OD1-O 3.15Å; N129-T158 PolarHBondContact OD1-OG1 3.14Å; N129-A160 PolarHBondContact OD1-N 3.09Å
130K98.4Very high95.4Very high49 Ų4955.7 Ų55.721%0.21327%0.268CS..  trans67.833.1179.5-44.6-168.4-166.1167.50114.4A17 D96 V97 D132 L133 T158A17-K130 VanDerWaalsContact O-CE 3.31Å; A17-K130 WeakPolarHBondContact O-CE 3.41Å; A17-K130 PolarHBondContact O-NZ 3.38Å; D96-K130 WeakPolarHBondContact OD1-CD 3.29Å; D96-K130 WeakPolarHBondContact OD2-CD 3.5Å; D96-K130 VanDerWaalsContact OD2-CE 3.23Å; D96-K130 WeakPolarHBondContact OD2-CE 3.23Å; D96-K130 IonicContact OD2-NZ 3.94Å; D96-K130 PolarHBondContact OD2-NZ 2.89Å; V97-K130 WeakPolarHBondContact CG2-O 3.35Å; K130-D132 WeakPolarHBondContact CA-OD1 3.44Å; K130-D132 PolarHBondContact O-N 3.01Å; K130-D132 VanDerWaalsContact O-N 3.12Å; K130-L133 HydrophobicContact CB-CD1 4.12Å; K130-L133 HydrophobicContact CB-CG 4.34Å; K130-L133 HydrophobicContact CD-CD1 4.16Å; K130-L133 WeakPolarHBondContact O-CB 3.37Å; K130-L133 PolarHBondContact O-N 3.44Å; K130-T158 PolarHBondContact N-O 3.38Å
131V98.5Very high96.6Very high16 Ų1650.9 Ų50.910%0.09725%0.25CC..G310 helixtrans-66.9-10.2177.4-56.40000114.1V97 A128 L133 E157 T158 L164V97-V131 HydrophobicContact CG1-CG1 3.89Å; V97-V131 HydrophobicContact CG2-CG1 4.28Å; A128-V131 WeakPolarHBondContact O-CG1 3.33Å; V131-L133 PolarHBondContact O-N 3.22Å; V131-E157 HydrophobicContact CG1-CB 3.76Å; V131-E157 HydrophobicContact CG1-CG 4.01Å; V131-E157 HydrophobicContact CG2-CB 4.43Å; V131-T158 WeakPolarHBondContact CG2-O 3.49Å; V131-T158 PolarHBondContact N-O 3.43Å; V131-L164 HydrophobicContact CG2-CD2 3.68Å
132D98.3Very high97.5Very high68 Ų6848.5 Ų48.536%0.36425%0.247SC..G310 helixtrans-64-22.116656.5-77.8000113K130 E134 S159 T162K130-D132 WeakPolarHBondContact CA-OD1 3.44Å; K130-D132 PolarHBondContact O-N 3.01Å; K130-D132 VanDerWaalsContact O-N 3.12Å; D132-E134 VanDerWaalsContact C-N 3.27Å; D132-E134 PolarHBondContact O-N 3.28Å; D132-S159 VanDerWaalsContact CG-OG 3.27Å; D132-S159 VanDerWaalsContact OD1-CB 3.26Å; D132-S159 WeakPolarHBondContact OD1-CB 3.25Å; D132-S159 PolarHBondContact OD1-OG 2.95Å; D132-T162 HydrophobicContact CB-CG2 3.94Å
133L97.7Very high98Very high55 Ų5551.4 Ų51.429%0.28826%0.262SS..G310 helixtrans-89.943.4178.2-56.4-177.2000112.5T98 K130 V131 R135 Q136 R137T98-L133 HydrophobicContact CG2-CB 3.72Å; T98-L133 HydrophobicContact CG2-CD1 4.03Å; K130-L133 HydrophobicContact CB-CD1 4.12Å; K130-L133 HydrophobicContact CB-CG 4.34Å; K130-L133 HydrophobicContact CD-CD1 4.16Å; K130-L133 WeakPolarHBondContact O-CB 3.37Å; K130-L133 PolarHBondContact O-N 3.44Å; V131-L133 PolarHBondContact O-N 3.22Å; L133-R135 PolarHBondContact O-N 3.48Å; L133-Q136 HydrophobicContact CB-CB 4.38Å; L133-Q136 WeakPolarHBondContact O-CA 3.45Å; L133-Q136 PolarHBondContact O-N 3.09Å; L133-R137 PolarHBondContact O-N 3.08Å
134E97.5Very high98.2Very high110 Ų11050.6 Ų50.651%0.51426%0.258SS..G310 helixtrans-54.9-32.5-172.5-170.157.4-15200113.7D132 Q136 R137D132-E134 VanDerWaalsContact C-N 3.27Å; D132-E134 PolarHBondContact O-N 3.28Å; E134-Q136 PolarHBondContact O-N 3.41Å; E134-R137 WeakPolarHBondContact O-CB 3.27Å; E134-R137 PolarHBondContact O-N 3.34Å; E134-R137 WeakPolarHBondContact OE1-CD 3.5Å; E134-R137 IonicContact OE1-NE 2.77Å; E134-R137 PolarHBondContact OE1-NE 2.94Å; E134-R137 IonicContact OE2-CZ 3.6Å; E134-R137 IonicContact OE2-NE 3.54Å; E134-R137 PolarHBondContact OE2-NE 3.26Å; E134-R137 IonicContact OE2-NH2 2.79Å; E134-R137 PolarHBondContact OE2-NH2 2.69Å; E134-R137 VanDerWaalsContact OE2-NH2 3.14Å
135R97.9Very high98.4Very high255 Ų25556 Ų5696%0.96228%0.281SS*.G310 helixtrans-68.4-18.3176.6-63.8-176.7-177.8-1801114.3L133L133-R135 PolarHBondContact O-N 3.48Å
136Q98.2Very high98.4Very high117 Ų11761.9 Ų61.955%0.54731%0.306SS..G310 helixtrans-107.22.1179.7-60.5177.551.300111.6T98 L133 E134 V138T98-Q136 WeakPolarHBondContact CA-O 3.35Å; T98-Q136 VanDerWaalsContact CB-O 3.29Å; T98-Q136 WeakPolarHBondContact CB-O 3.38Å; T98-Q136 HydrophobicContact CG2-CB 3.66Å; L133-Q136 HydrophobicContact CB-CB 4.38Å; L133-Q136 WeakPolarHBondContact O-CA 3.45Å; L133-Q136 PolarHBondContact O-N 3.09Å; E134-Q136 PolarHBondContact O-N 3.41Å; Q136-V138 PolarHBondContact O-N 2.77Å
137R98.6Very high98.4Very high44 Ų4462 Ų6217%0.16631%0.307CS..  trans-60.8127.2-179.6179.3-177.2-72.8-99.913.7110.2V97 L133 E134 V139 E157V97-R137 HydrophobicContact CB-CG 4.38Å; L133-R137 PolarHBondContact O-N 3.08Å; E134-R137 WeakPolarHBondContact O-CB 3.27Å; E134-R137 PolarHBondContact O-N 3.34Å; E134-R137 WeakPolarHBondContact OE1-CD 3.5Å; E134-R137 IonicContact OE1-NE 2.77Å; E134-R137 PolarHBondContact OE1-NE 2.94Å; E134-R137 IonicContact OE2-CZ 3.6Å; E134-R137 IonicContact OE2-NE 3.54Å; E134-R137 PolarHBondContact OE2-NE 3.26Å; E134-R137 IonicContact OE2-NH2 2.79Å; E134-R137 PolarHBondContact OE2-NH2 2.69Å; E134-R137 VanDerWaalsContact OE2-NH2 3.14Å; R137-V139 VanDerWaalsContact CD-O 3.32Å; R137-V139 WeakPolarHBondContact CD-O 3.49Å; R137-V139 WeakPolarHBondContact CG-O 3.18Å; R137-V139 PolarHBondContact NH1-O 3.37Å; R137-V139 VanDerWaalsContact NH1-O 3.07Å; R137-E157 IonicContact CZ-OE1 3.14Å; R137-E157 VanDerWaalsContact CZ-OE1 3.25Å; R137-E157 IonicContact NH1-OE1 2.81Å; R137-E157 PolarHBondContact NH1-OE1 2.87Å; R137-E157 IonicContact NH2-OE1 2.95Å; R137-E157 PolarHBondContact NH2-OE1 2.89Å; R137-E157 IonicContact NH2-OE2 3.42Å; R137-E157 PolarHBondContact NH2-OE2 3.42Å
138V98.6Very high98.3Very high83 Ų8362 Ų6250%0.50331%0.307SS..  trans-116.7-16.5172.9-57.70000112.3V97 T98 E100 Q136V97-V138 PolarHBondContact O-N 2.9Å; T98-V138 VanDerWaalsContact C-CG2 3.48Å; E100-V138 HydrophobicContact CB-CG2 4.04Å; Q136-V138 PolarHBondContact O-N 2.77Å
139V98.5Very high98.3Very high4 Ų467.4 Ų67.42%0.02434%0.336CS..SBendtrans-108.9119.3174.7-1750000109.7Y95 V97 E100 F103 R137 D143Y95-V139 HydrophobicContact CE2-CB 4.04Å; Y95-V139 HydrophobicContact CE2-CG1 3.8Å; Y95-V139 HydrophobicContact CE2-CG2 4.36Å; V97-V139 PolarHBondContact O-N 3.45Å; V97-V139 VanDerWaalsContact O-N 3.11Å; E100-V139 HydrophobicContact CB-CG2 4.46Å; F103-V139 HydrophobicContact CB-CG1 4.3Å; F103-V139 HydrophobicContact CB-CG2 3.76Å; F103-V139 HydrophobicContact CD1-CG1 4.02Å; F103-V139 HydrophobicContact CD1-CG2 4.27Å; F103-V139 HydrophobicContact CD2-CG1 3.77Å; F103-V139 HydrophobicContact CE1-CG1 4.25Å; F103-V139 HydrophobicContact CE2-CG1 4Å; F103-V139 HydrophobicContact CG-CG1 3.76Å; F103-V139 HydrophobicContact CG-CG2 4.03Å; F103-V139 HydrophobicContact CZ-CG1 4.24Å; R137-V139 VanDerWaalsContact CD-O 3.32Å; R137-V139 WeakPolarHBondContact CD-O 3.49Å; R137-V139 WeakPolarHBondContact CG-O 3.18Å; R137-V139 PolarHBondContact NH1-O 3.37Å; R137-V139 VanDerWaalsContact NH1-O 3.07Å; V139-D143 HydrophobicContact CG1-CB 4.36Å
140S98.4Very high98.1Very high44 Ų4472.5 Ų72.531%0.30836%0.36SS..  trans-71.7153.4179.880.50000111.8A142 D143 G144S140-A142 PolarHBondContact O-N 3.29Å; S140-A142 PolarHBondContact OG-N 2.78Å; S140-D143 WeakPolarHBondContact CB-OD2 3.44Å; S140-D143 PolarHBondContact O-N 3.14Å; S140-D143 PolarHBondContact OG-N 3.37Å; S140-D143 PolarHBondContact OG-OD2 3.28Å; S140-G144 PolarHBondContact O-N 3.07Å; S140-G144 VanDerWaalsContact O-N 3.09Å
141T98.5Very high97.9Very high62 Ų6272.5 Ų72.538%0.3836%0.362SS..Hα-helixtrans-58.1-33.7171.7-48.30000111.6G144 K145 Y155 E157T141-G144 PolarHBondContact O-N 2.91Å; T141-K145 WeakPolarHBondContact O-CB 3.31Å; T141-K145 PolarHBondContact O-N 3.38Å; T141-Y155 HydrophobicContact CG2-CE1 4.11Å; T141-E157 WeakPolarHBondContact CB-OE1 3.38Å; T141-E157 HydrophobicContact CG2-CG 4.36Å; T141-E157 PolarHBondContact OG1-OE1 2.67Å
142A98.5Very high97.7Very high72 Ų7275.1 Ų75.160%0.59539%0.392SS*.Hα-helixtrans-65.7-42.8178.600000111.9S140 K146S140-A142 PolarHBondContact O-N 3.29Å; S140-A142 PolarHBondContact OG-N 2.78Å; A142-K146 VanDerWaalsContact O-CB 3.23Å; A142-K146 WeakPolarHBondContact O-CB 3.15Å; A142-K146 PolarHBondContact O-N 2.85Å
143D98.4Very high97.6Very high77 Ų7772.9 Ų72.941%0.41238%0.38SS..Hα-helixtrans-67.5-41.6176.9-61.8-46.1000111.5F103 V139 S140 K146 L147F103-D143 HydrophobicContact CE1-CB 4.47Å; F103-D143 HydrophobicContact CZ-CB 4.07Å; V139-D143 HydrophobicContact CG1-CB 4.36Å; S140-D143 WeakPolarHBondContact CB-OD2 3.44Å; S140-D143 PolarHBondContact O-N 3.14Å; S140-D143 PolarHBondContact OG-N 3.37Å; S140-D143 PolarHBondContact OG-OD2 3.28Å; D143-K146 PolarHBondContact O-N 3.23Å; D143-L147 WeakPolarHBondContact O-CB 3.47Å; D143-L147 PolarHBondContact O-N 3.36Å
144G98.4Very high97.6Very high0 Ų076.3 Ų76.30%039%0.389CS..Hα-helixtrans-57.7-50.4174.800000112.7Y95 S140 T141 L147 A148 Y155Y95-G144 WeakPolarHBondContact OH-CA 3.45Å; S140-G144 PolarHBondContact O-N 3.07Å; S140-G144 VanDerWaalsContact O-N 3.09Å; T141-G144 PolarHBondContact O-N 2.91Å; G144-L147 PolarHBondContact O-N 3.48Å; G144-A148 PolarHBondContact O-N 3.1Å; G144-A148 VanDerWaalsContact O-N 3.09Å; G144-Y155 VanDerWaalsContact C-CE2 3.45Å
145K98.4Very high97.6Very high118 Ų11873 Ų7351%0.51337%0.373SS..Hα-helixtrans-64.2-44.9177.5-175.4173.6-178.9174.60112.1T141 L147 A148 D149 Y155T141-K145 WeakPolarHBondContact O-CB 3.31Å; T141-K145 PolarHBondContact O-N 3.38Å; K145-L147 VanDerWaalsContact C-N 3.31Å; K145-L147 PolarHBondContact O-N 3Å; K145-A148 PolarHBondContact O-N 3.28Å; K145-A148 VanDerWaalsContact O-N 3.14Å; K145-D149 VanDerWaalsContact O-CG 3.31Å; K145-D149 PolarHBondContact O-N 2.76Å; K145-Y155 HydrophobicContact CB-CD1 4.26Å; K145-Y155 HydrophobicContact CB-CE1 4.43Å
146K98.6Very high97.7Very high124 Ų12462.4 Ų62.454%0.53934%0.335SS..Hα-helixtrans-57.7-44.6177.1179.5-178.2172.1-172.70111.4A142 D143 D149 E150A142-K146 VanDerWaalsContact O-CB 3.23Å; A142-K146 WeakPolarHBondContact O-CB 3.15Å; A142-K146 PolarHBondContact O-N 2.85Å; D143-K146 PolarHBondContact O-N 3.23Å; K146-D149 PolarHBondContact O-N 2.83Å; K146-E150 WeakPolarHBondContact CE-OE1 3.32Å; K146-E150 WeakPolarHBondContact O-CB 3.43Å; K146-E150 WeakPolarHBondContact O-CG 3.44Å; K146-E150 PolarHBondContact O-N 2.83Å
147L98Very high97.7Very high3 Ų358.8 Ų58.82%0.01632%0.318CS..Hα-helixtrans-60.5-45.4175.9177.863.6000111.6F103 V106 R107 L126 D143 G144 K145 E150 L151F103-L147 HydrophobicContact CD2-CD2 3.81Å; F103-L147 HydrophobicContact CE2-CB 3.86Å; F103-L147 HydrophobicContact CE2-CD2 3.28Å; F103-L147 HydrophobicContact CE2-CG 4.19Å; F103-L147 HydrophobicContact CZ-CB 3.97Å; F103-L147 HydrophobicContact CZ-CD2 3.81Å; F103-L147 HydrophobicContact CZ-CG 4.47Å; V106-L147 HydrophobicContact CB-CD2 3.92Å; V106-L147 HydrophobicContact CG1-CD2 3.79Å; V106-L147 HydrophobicContact CG2-CD2 4.39Å; R107-L147 HydrophobicContact CG-CD1 4.14Å; L126-L147 HydrophobicContact CD2-CD2 4.36Å; D143-L147 WeakPolarHBondContact O-CB 3.47Å; D143-L147 PolarHBondContact O-N 3.36Å; G144-L147 PolarHBondContact O-N 3.48Å; K145-L147 VanDerWaalsContact C-N 3.31Å; K145-L147 PolarHBondContact O-N 3Å; L147-E150 PolarHBondContact O-N 2.9Å; L147-L151 HydrophobicContact CD1-CD1 3.7Å; L147-L151 HydrophobicContact CD1-CG 4.03Å; L147-L151 HydrophobicContact CD2-CD1 4.48Å; L147-L151 HydrophobicContact CG-CD1 3.83Å; L147-L151 HydrophobicContact CG-CG 4.43Å; L147-L151 WeakPolarHBondContact O-CB 3.45Å; L147-L151 VanDerWaalsContact O-CG 3.25Å; L147-L151 WeakPolarHBondContact O-CG 3.41Å; L147-L151 PolarHBondContact O-N 3.41Å
148A97.9Very high97.7Very high0 Ų056.7 Ų56.70%031%0.31CS..Hα-helixtrans-63.8-41.8179.900000112.4L126 G144 K145 L151 G152 I153 Y155L126-A148 HydrophobicContact CD2-CB 4.15Å; G144-A148 PolarHBondContact O-N 3.1Å; G144-A148 VanDerWaalsContact O-N 3.09Å; K145-A148 PolarHBondContact O-N 3.28Å; K145-A148 VanDerWaalsContact O-N 3.14Å; A148-L151 CarbonylContact O-C 3.59Å; A148-L151 PolarHBondContact O-N 3.41Å; A148-G152 PolarHBondContact O-N 3.44Å; A148-I153 HydrophobicContact CB-CG1 4.24Å; A148-I153 PolarHBondContact O-N 2.58Å; A148-I153 VanDerWaalsContact O-N 3.08Å; A148-Y155 HydrophobicContact CB-CD2 4.23Å; A148-Y155 HydrophobicContact CB-CG 4.26Å
149D97.4Very high97.7Very high113 Ų11352.7 Ų52.760%0.60429%0.286SS*.Hα-helixtrans-62.1-42.6175-67.8-20.3000111K145 K146 L151 G152K145-D149 VanDerWaalsContact O-CG 3.31Å; K145-D149 PolarHBondContact O-N 2.76Å; K146-D149 PolarHBondContact O-N 2.83Å; D149-L151 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 3.25Å; D149-G152 PolarHBondContact O-N 2.84Å
150E96.4Very high97.7Very high108 Ų10852.7 Ų52.751%0.50529%0.286SS..Hα-helixtrans-62.1-35.2174.9-76.9173.7-173.600112.8R107 K146 L147R107-E150 IonicContact NH2-OE2 2.67Å; R107-E150 PolarHBondContact NH2-OE2 3.15Å; K146-E150 WeakPolarHBondContact CE-OE1 3.32Å; K146-E150 WeakPolarHBondContact O-CB 3.43Å; K146-E150 WeakPolarHBondContact O-CG 3.44Å; K146-E150 PolarHBondContact O-N 2.83Å; L147-E150 PolarHBondContact O-N 2.9Å
151L93.9Very high97.6Very high50 Ų5052.3 Ų52.326%0.26229%0.286SS..Hα-helixtrans-91.1-8.4-177.9-64178.5000113.4V106 L110 L147 A148 D149 I153V106-L151 HydrophobicContact CG1-CD1 4.09Å; L110-L151 HydrophobicContact CD2-CB 3.86Å; L110-L151 HydrophobicContact CD2-CD1 3.86Å; L110-L151 HydrophobicContact CD2-CD2 3.91Å; L110-L151 HydrophobicContact CD2-CG 4.07Å; L147-L151 HydrophobicContact CD1-CD1 3.7Å; L147-L151 HydrophobicContact CD1-CG 4.03Å; L147-L151 HydrophobicContact CD2-CD1 4.48Å; L147-L151 HydrophobicContact CG-CD1 3.83Å; L147-L151 HydrophobicContact CG-CG 4.43Å; L147-L151 WeakPolarHBondContact O-CB 3.45Å; L147-L151 VanDerWaalsContact O-CG 3.25Å; L147-L151 WeakPolarHBondContact O-CG 3.41Å; L147-L151 PolarHBondContact O-N 3.41Å; A148-L151 CarbonylContact O-C 3.59Å; A148-L151 PolarHBondContact O-N 3.41Å; D149-L151 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 3.25Å; L151-I153 HydrophobicContact CB-CD1 4.17Å; L151-I153 HydrophobicContact CB-CG1 4.09Å; L151-I153 HydrophobicContact CD1-CD1 4.23Å
152G94.7Very high97.6Very high70 Ų7053.8 Ų53.872%0.72230%0.295SS*.THydrogen-bonded Turntrans68.531.6-178.800000114.2A148 D149A148-G152 PolarHBondContact O-N 3.44Å; D149-G152 PolarHBondContact O-N 2.84Å
153I95.8Very high97.6Very high22 Ų2251.3 Ų51.311%0.11328%0.277CS..  trans-120.9158.2-177.564.6-179000111.5V124 L126 A148 L151V124-I153 HydrophobicContact CB-CB 4.24Å; V124-I153 HydrophobicContact CB-CG2 3.88Å; V124-I153 HydrophobicContact CG1-CD1 4.25Å; V124-I153 HydrophobicContact CG1-CG2 4.48Å; V124-I153 HydrophobicContact CG2-CG2 4.44Å; L126-I153 HydrophobicContact CB-CD1 3.84Å; L126-I153 HydrophobicContact CB-CG1 4.26Å; L126-I153 HydrophobicContact CD2-CD1 4.39Å; A148-I153 HydrophobicContact CB-CG1 4.24Å; A148-I153 PolarHBondContact O-N 2.58Å; A148-I153 VanDerWaalsContact O-N 3.08Å; L151-I153 HydrophobicContact CB-CD1 4.17Å; L151-I153 HydrophobicContact CB-CG1 4.09Å; L151-I153 HydrophobicContact CD1-CD1 4.23Å
154Y97.1Very high97.6Very high126 Ų12651.6 Ų51.649%0.49428%0.277SS..EExtended strand (participates in β ladder)trans-70.7147.5178.7-76.9-97.2000111.2V124 L126 T172 L176V124-Y154 PolarHBondContact O-N 3.09Å; L126-Y154 WeakPolarHBondContact CB-O 3.36Å; L126-Y154 PolarHBondContact N-O 3.35Å; Y154-T172 HydrophobicContact CD1-CG2 3.78Å; Y154-T172 HydrophobicContact CE1-CG2 4.29Å; Y154-T172 HydrophobicContact CG-CG2 4.07Å; Y154-L176 HydrophobicContact CD2-CD1 3.42Å; Y154-L176 VanDerWaalsContact CD2-CD1 3.42Å; Y154-L176 HydrophobicContact CD2-CD2 4.28Å; Y154-L176 HydrophobicContact CD2-CG 4.42Å; Y154-L176 HydrophobicContact CE2-CD1 3.41Å; Y154-L176 VanDerWaalsContact CE2-CD1 3.41Å; Y154-L176 HydrophobicContact CE2-CD2 3.36Å; Y154-L176 HydrophobicContact CE2-CG 3.95Å; Y154-L176 HydrophobicContact CG-CD1 4.25Å; Y154-L176 WeakPolarHBondContact OH-CD2 3.43Å
155Y98.5Very high97.6Very high41 Ų4153.8 Ų53.816%0.16129%0.289CS..EExtended strand (participates in β ladder)trans-123.6130179.3177.8-100.7000111.8Y95 L126 A128 T141 G144 K145 A148 E157Y95-Y155 HydrophobicContact CE1-CE2 4.23Å; Y95-Y155 PolarHBondContact OH-OH 2.92Å; L126-Y155 HydrophobicContact CD2-CD2 4.1Å; L126-Y155 HydrophobicContact CG-CD2 4.28Å; L126-Y155 WeakPolarHBondContact O-CA 3.48Å; A128-Y155 HydrophobicContact CB-CE2 3.68Å; A128-Y155 WeakPolarHBondContact CB-OH 3.33Å; T141-Y155 HydrophobicContact CG2-CE1 4.11Å; G144-Y155 VanDerWaalsContact C-CE2 3.45Å; K145-Y155 HydrophobicContact CB-CD1 4.26Å; K145-Y155 HydrophobicContact CB-CE1 4.43Å; A148-Y155 HydrophobicContact CB-CD2 4.23Å; A148-Y155 HydrophobicContact CB-CG 4.26Å; Y155-E157 HydrophobicContact CE1-CG 3.89Å; Y155-E157 WeakPolarHBondContact OH-CG 3.1Å; Y155-E157 PolarHBondContact OH-OE1 3.04Å
156L98.6Very high97.6Very high33 Ų3348.2 Ų48.217%0.17327%0.265CS..EExtended strand (participates in β ladder)trans-139.2134.8172.5-72.1167.9000111.1V125 L126 C127 A128 T158 I168 A169V125-L156 HydrophobicContact CG1-CD1 4.01Å; V125-L156 HydrophobicContact CG1-CG 4.5Å; L126-L156 PolarHBondContact O-N 3.12Å; C127-L156 CarbonylContact C-O 3.51Å; C127-L156 WeakPolarHBondContact CA-O 3.29Å; A128-L156 PolarHBondContact N-O 3.42Å; L156-T158 HydrophobicContact CB-CG2 4.28Å; L156-I168 HydrophobicContact CD1-CG2 3.98Å; L156-I168 HydrophobicContact CD2-CG2 4.1Å; L156-A169 HydrophobicContact CD1-CB 3.63Å
157E98.8Very high97.5Very high40 Ų4045.2 Ų45.219%0.18726%0.255CS..EExtended strand (participates in β ladder)trans-80.7129.4165.3-74.9-157.9148.900109.8A128 V131 R137 T141 Y155 N165A128-E157 HydrophobicContact CB-CG 4.08Å; A128-E157 CarbonylContact O-C 3.42Å; A128-E157 WeakPolarHBondContact O-CA 3.39Å; V131-E157 HydrophobicContact CG1-CB 3.76Å; V131-E157 HydrophobicContact CG1-CG 4.01Å; V131-E157 HydrophobicContact CG2-CB 4.43Å; R137-E157 IonicContact CZ-OE1 3.14Å; R137-E157 VanDerWaalsContact CZ-OE1 3.25Å; R137-E157 IonicContact NH1-OE1 2.81Å; R137-E157 PolarHBondContact NH1-OE1 2.87Å; R137-E157 IonicContact NH2-OE1 2.95Å; R137-E157 PolarHBondContact NH2-OE1 2.89Å; R137-E157 IonicContact NH2-OE2 3.42Å; R137-E157 PolarHBondContact NH2-OE2 3.42Å; T141-E157 WeakPolarHBondContact CB-OE1 3.38Å; T141-E157 HydrophobicContact CG2-CG 4.36Å; T141-E157 PolarHBondContact OG1-OE1 2.67Å; Y155-E157 HydrophobicContact CE1-CG 3.89Å; Y155-E157 WeakPolarHBondContact OH-CG 3.1Å; Y155-E157 PolarHBondContact OH-OE1 3.04Å; E157-N165 VanDerWaalsContact O-CB 3.23Å; E157-N165 WeakPolarHBondContact O-CB 3.47Å; E157-N165 PolarHBondContact O-ND2 3.47Å
158T98.8Very high97.5Very high0 Ų049.1 Ų49.10%028%0.275CS..EExtended strand (participates in β ladder)trans-134153.5-171.258.40000111.6F23 C127 A128 N129 K130 V131 L156 L164 N165 A169F23-T158 HydrophobicContact CE2-CG2 3.97Å; C127-T158 HydrophobicContact CB-CG2 4.28Å; A128-T158 PolarHBondContact O-N 2.89Å; A128-T158 PolarHBondContact O-OG1 3.39Å; N129-T158 CarbonylContact C-O 3.58Å; N129-T158 VanDerWaalsContact CA-O 3.31Å; N129-T158 WeakPolarHBondContact CA-O 3.46Å; N129-T158 WeakPolarHBondContact CA-OG1 3.44Å; N129-T158 PolarHBondContact OD1-O 3.15Å; N129-T158 PolarHBondContact OD1-OG1 3.14Å; K130-T158 PolarHBondContact N-O 3.38Å; V131-T158 WeakPolarHBondContact CG2-O 3.49Å; V131-T158 PolarHBondContact N-O 3.43Å; L156-T158 HydrophobicContact CB-CG2 4.28Å; T158-L164 WeakPolarHBondContact CA-O 3.5Å; T158-N165 HydrophobicContact CG2-CB 4.16Å; T158-A169 HydrophobicContact CG2-CB 4.18Å
159S98.5Very high97.5Very high0 Ų049.1 Ų49.10%028%0.275CS..  trans-139.8110.3170.2167.40000109.5D132 A161 T162 G163 L164D132-S159 VanDerWaalsContact CG-OG 3.27Å; D132-S159 VanDerWaalsContact OD1-CB 3.26Å; D132-S159 WeakPolarHBondContact OD1-CB 3.25Å; D132-S159 PolarHBondContact OD1-OG 2.95Å; S159-A161 PolarHBondContact O-N 2.58Å; S159-A161 PolarHBondContact OG-N 2.63Å; S159-T162 WeakPolarHBondContact CB-OG1 3.27Å; S159-T162 PolarHBondContact O-N 2.83Å; S159-T162 PolarHBondContact OG-N 3.06Å; S159-T162 VanDerWaalsContact OG-N 3.09Å; S159-T162 PolarHBondContact OG-OG1 2.93Å; S159-G163 CarbonylContact O-C 3.54Å; S159-G163 WeakPolarHBondContact O-CA 3.29Å; S159-G163 PolarHBondContact O-N 3.09Å; S159-L164 PolarHBondContact N-O 2.81Å; S159-L164 PolarHBondContact O-N 3.26Å
160A97.9Very high97.5Very high3 Ų343.8 Ų43.83%0.02525%0.246CC..THydrogen-bonded Turntrans-60.9-29.4169.900000112.1F23 Q26 F32 N129F23-A160 HydrophobicContact CB-CB 4.34Å; Q26-A160 HydrophobicContact CB-CB 4.49Å; Q26-A160 WeakPolarHBondContact CG-O 3.32Å; Q26-A160 PolarHBondContact OE1-O 3.24Å; F32-A160 HydrophobicContact CD2-CB 4.1Å; F32-A160 WeakPolarHBondContact CD2-O 3.15Å; F32-A160 HydrophobicContact CE2-CB 4.25Å; N129-A160 PolarHBondContact OD1-N 3.09Å
161A97.5Very high97.5Very high37 Ų3741.9 Ų41.931%0.30624%0.24SC..THydrogen-bonded Turntrans-70.5-36.7-178.800000113.2F32 S159F32-A161 HydrophobicContact CD1-CB 4.08Å; F32-A161 HydrophobicContact CD2-CB 4.2Å; F32-A161 HydrophobicContact CE1-CB 3.85Å; F32-A161 HydrophobicContact CE2-CB 3.99Å; F32-A161 HydrophobicContact CG-CB 4.24Å; F32-A161 HydrophobicContact CZ-CB 3.81Å; S159-A161 PolarHBondContact O-N 2.58Å; S159-A161 PolarHBondContact OG-N 2.63Å
162T97.4Very high97.6Very high93 Ų9340.9 Ų40.957%0.57124%0.236SC*.THydrogen-bonded Turntrans-105.1-13.4-17762.10000113.3D132 S159 L164D132-T162 HydrophobicContact CB-CG2 3.94Å; S159-T162 WeakPolarHBondContact CB-OG1 3.27Å; S159-T162 PolarHBondContact O-N 2.83Å; S159-T162 PolarHBondContact OG-N 3.06Å; S159-T162 VanDerWaalsContact OG-N 3.09Å; S159-T162 PolarHBondContact OG-OG1 2.93Å; T162-L164 WeakPolarHBondContact OG1-CB 3.34Å; T162-L164 PolarHBondContact OG1-N 2.89Å
163G97.9Very high97.7Very high20 Ų2037.5 Ų37.521%0.20620%0.201CC..  trans80.60.1-170.400000114S159 N165 V166S159-G163 CarbonylContact O-C 3.54Å; S159-G163 WeakPolarHBondContact O-CA 3.29Å; S159-G163 PolarHBondContact O-N 3.09Å; G163-N165 PolarHBondContact O-N 3.35Å; G163-N165 VanDerWaalsContact O-N 3.17Å; G163-V166 PolarHBondContact O-N 2.95Å
164L98.6Very high97.7Very high82 Ų8236.5 Ų36.543%0.42920%0.196SC..THydrogen-bonded Turntrans-55.4123.4-178.4-17966.2000110.8V131 T158 S159 T162 V166V131-L164 HydrophobicContact CG2-CD2 3.68Å; T158-L164 WeakPolarHBondContact CA-O 3.5Å; S159-L164 PolarHBondContact N-O 2.81Å; S159-L164 PolarHBondContact O-N 3.26Å; T162-L164 WeakPolarHBondContact OG1-CB 3.34Å; T162-L164 PolarHBondContact OG1-N 2.89Å; L164-V166 PolarHBondContact O-N 3.42Å
165N98.5Very high97.5Very high46 Ų4633 Ų3325%0.24619%0.186CC..THydrogen-bonded Turntrans54.515.2178.2-60.8-24.2000115.7E157 T158 G163 I168 A169E157-N165 VanDerWaalsContact O-CB 3.23Å; E157-N165 WeakPolarHBondContact O-CB 3.47Å; E157-N165 PolarHBondContact O-ND2 3.47Å; T158-N165 HydrophobicContact CG2-CB 4.16Å; G163-N165 PolarHBondContact O-N 3.35Å; G163-N165 VanDerWaalsContact O-N 3.17Å; N165-I168 HydrophobicContact CB-CB 4.29Å; N165-I168 PolarHBondContact O-N 3.37Å; N165-I168 VanDerWaalsContact OD1-CD1 3.28Å; N165-I168 WeakPolarHBondContact OD1-CD1 3.47Å; N165-A169 WeakPolarHBondContact O-CB 3.35Å; N165-A169 PolarHBondContact O-N 3.13Å
166V98.4Very high97.2Very high1 Ų132.3 Ų32.31%0.00619%0.185CC..Hα-helixtrans-64.7-54178.9172.20000110.7F23 Q26 Y27 G163 L164 I168 A169 V170F23-V166 HydrophobicContact CD2-CB 4.48Å; F23-V166 HydrophobicContact CD2-CG1 4.27Å; F23-V166 HydrophobicContact CD2-CG2 3.9Å; F23-V166 HydrophobicContact CE1-CG1 4.17Å; F23-V166 HydrophobicContact CE2-CB 4Å; F23-V166 HydrophobicContact CE2-CG1 3.94Å; F23-V166 HydrophobicContact CE2-CG2 3.81Å; F23-V166 HydrophobicContact CZ-CB 4.28Å; F23-V166 HydrophobicContact CZ-CG1 3.87Å; F23-V166 WeakPolarHBondContact CZ-O 3.46Å; Q26-V166 HydrophobicContact CB-CG1 4.47Å; Q26-V166 HydrophobicContact CG-CG1 4.28Å; Q26-V166 HydrophobicContact CG-CG2 4.06Å; Y27-V166 HydrophobicContact CD2-CG1 4.29Å; Y27-V166 HydrophobicContact CG-CG1 4.4Å; G163-V166 PolarHBondContact O-N 2.95Å; L164-V166 PolarHBondContact O-N 3.42Å; V166-I168 VanDerWaalsContact C-N 3.3Å; V166-I168 PolarHBondContact O-N 2.98Å; V166-A169 PolarHBondContact O-N 3.5Å; V166-V170 PolarHBondContact O-N 3.5Å
167D97.3Very high96.9Very high62 Ų6230.9 Ų30.933%0.33218%0.177SC..Hα-helixtrans-64.6-36175.4-65.2-79.6000111.8Y27 K47 A169 V170 N171Y27-D167 WeakPolarHBondContact CD2-OD1 3.49Å; Y27-D167 WeakPolarHBondContact CE2-OD1 3.44Å; K47-D167 IonicContact NZ-OD1 2.6Å; D167-A169 PolarHBondContact O-N 3.04Å; D167-V170 PolarHBondContact O-N 2.85Å; D167-N171 VanDerWaalsContact O-CB 3.26Å; D167-N171 WeakPolarHBondContact O-CB 3.44Å; D167-N171 PolarHBondContact O-N 3.08Å; D167-N171 PolarHBondContact O-ND2 3.25Å
168I97.6Very high96.6Very high85 Ų8529.3 Ų29.344%0.43617%0.17SC..Hα-helixtrans-63-43.1179.2-67.2167.5000110.7L156 N165 V166 N171 T172L156-I168 HydrophobicContact CD1-CG2 3.98Å; L156-I168 HydrophobicContact CD2-CG2 4.1Å; N165-I168 HydrophobicContact CB-CB 4.29Å; N165-I168 PolarHBondContact O-N 3.37Å; N165-I168 VanDerWaalsContact OD1-CD1 3.28Å; N165-I168 WeakPolarHBondContact OD1-CD1 3.47Å; V166-I168 VanDerWaalsContact C-N 3.3Å; V166-I168 PolarHBondContact O-N 2.98Å; I168-N171 PolarHBondContact O-N 3.13Å; I168-T172 VanDerWaalsContact O-CB 3.3Å; I168-T172 WeakPolarHBondContact O-CB 3.06Å; I168-T172 PolarHBondContact O-N 3.37Å; I168-T172 PolarHBondContact O-OG1 3.27Å
169A98.4Very high96.1Very high0 Ų031.6 Ų31.60%018%0.182CC..Hα-helixtrans-65.8-41.5178.600000112.8F23 V125 L156 T158 N165 V166 D167 L173F23-A169 HydrophobicContact CE2-CB 4.36Å; F23-A169 HydrophobicContact CZ-CB 3.95Å; V125-A169 HydrophobicContact CG1-CB 4.28Å; L156-A169 HydrophobicContact CD1-CB 3.63Å; T158-A169 HydrophobicContact CG2-CB 4.18Å; N165-A169 WeakPolarHBondContact O-CB 3.35Å; N165-A169 PolarHBondContact O-N 3.13Å; V166-A169 PolarHBondContact O-N 3.5Å; D167-A169 PolarHBondContact O-N 3.04Å; A169-L173 PolarHBondContact O-N 2.82Å
170V97.5Very high95.6Very high0 Ų035.6 Ų35.60%020%0.197CC..Hα-helixtrans-68.7-42.9176.2-177.80000111.3L10 F23 Y27 L66 L92 V166 D167 L173 L174L10-V170 HydrophobicContact CD1-CG1 4.04Å; F23-V170 HydrophobicContact CE1-CG2 3.8Å; F23-V170 HydrophobicContact CZ-CG2 4.1Å; Y27-V170 HydrophobicContact CD1-CG1 4.47Å; Y27-V170 HydrophobicContact CD1-CG2 4.06Å; Y27-V170 HydrophobicContact CD2-CB 4.18Å; Y27-V170 HydrophobicContact CD2-CG2 3.84Å; Y27-V170 HydrophobicContact CE1-CB 4.3Å; Y27-V170 HydrophobicContact CE1-CG1 3.76Å; Y27-V170 HydrophobicContact CE1-CG2 4.16Å; Y27-V170 HydrophobicContact CE2-CB 3.79Å; Y27-V170 HydrophobicContact CE2-CG1 3.97Å; Y27-V170 HydrophobicContact CE2-CG2 3.96Å; Y27-V170 HydrophobicContact CG-CG2 3.88Å; Y27-V170 VanDerWaalsContact CZ-CG1 3.46Å; Y27-V170 WeakPolarHBondContact OH-CG1 3.42Å; L66-V170 HydrophobicContact CD1-CG1 4.21Å; L92-V170 HydrophobicContact CD1-CG2 4.28Å; V166-V170 PolarHBondContact O-N 3.5Å; D167-V170 PolarHBondContact O-N 2.85Å; V170-L173 PolarHBondContact O-N 3.04Å; V170-L174 HydrophobicContact CG1-CD1 3.98Å; V170-L174 HydrophobicContact CG1-CG 4.36Å; V170-L174 VanDerWaalsContact O-CG 3.31Å; V170-L174 WeakPolarHBondContact O-CG 3.48Å; V170-L174 PolarHBondContact O-N 3.23Å
171N95.7Very high95.1Very high69 Ų6936.8 Ų36.837%0.36920%0.203SC..Hα-helixtrans-65.8-40.5178.7-69.2-23.8000111.9D167 I168 L173 L174 D175D167-N171 VanDerWaalsContact O-CB 3.26Å; D167-N171 WeakPolarHBondContact O-CB 3.44Å; D167-N171 PolarHBondContact O-N 3.08Å; D167-N171 PolarHBondContact O-ND2 3.25Å; I168-N171 PolarHBondContact O-N 3.13Å; N171-L173 VanDerWaalsContact C-N 3.3Å; N171-L173 PolarHBondContact O-N 3.16Å; N171-L174 CarbonylContact O-C 3.59Å; N171-L174 WeakPolarHBondContact O-CB 3.48Å; N171-L174 PolarHBondContact O-N 3.24Å; N171-L174 VanDerWaalsContact O-N 3.08Å; N171-D175 PolarHBondContact O-N 2.91Å
172T96.1Very high94.5Very high28 Ų2837.6 Ų37.617%0.17220%0.2CC..Hα-helixtrans-57.6-45.7174.6-58.50000110.6V125 Y154 I168 L174 D175 L176V125-T172 HydrophobicContact CG2-CG2 4.15Å; Y154-T172 HydrophobicContact CD1-CG2 3.78Å; Y154-T172 HydrophobicContact CE1-CG2 4.29Å; Y154-T172 HydrophobicContact CG-CG2 4.07Å; I168-T172 VanDerWaalsContact O-CB 3.3Å; I168-T172 WeakPolarHBondContact O-CB 3.06Å; I168-T172 PolarHBondContact O-N 3.37Å; I168-T172 PolarHBondContact O-OG1 3.27Å; T172-L174 VanDerWaalsContact C-N 3.34Å; T172-L174 PolarHBondContact O-N 3.31Å; T172-D175 PolarHBondContact O-N 3.08Å; T172-L176 WeakPolarHBondContact O-CG 3.4Å; T172-L176 PolarHBondContact O-N 2.93Å
173L96.6Very high93.9Very high0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-65.2-38.9176.6-176.355.7000111.9L10 L92 D123 V125 A169 V170 N171 L176 L177L10-L173 HydrophobicContact CD1-CD2 4.16Å; L10-L173 HydrophobicContact CD2-CD2 3.92Å; L10-L173 HydrophobicContact CD2-CG 4.21Å; L10-L173 HydrophobicContact CG-CD2 4.45Å; L92-L173 HydrophobicContact CD2-CD2 3.83Å; L92-L173 HydrophobicContact CG-CD2 3.81Å; D123-L173 HydrophobicContact CB-CD1 3.88Å; D123-L173 WeakPolarHBondContact O-CD1 3.31Å; V125-L173 HydrophobicContact CG2-CB 3.79Å; V125-L173 HydrophobicContact CG2-CD1 4.28Å; A169-L173 PolarHBondContact O-N 2.82Å; V170-L173 PolarHBondContact O-N 3.04Å; N171-L173 VanDerWaalsContact C-N 3.3Å; N171-L173 PolarHBondContact O-N 3.16Å; L173-L176 PolarHBondContact O-N 3.39Å; L173-L177 HydrophobicContact CD1-CD1 4.45Å; L173-L177 HydrophobicContact CD1-CG 4.44Å; L173-L177 HydrophobicContact CG-CD1 4.18Å; L173-L177 VanDerWaalsContact O-CG 3.25Å; L173-L177 WeakPolarHBondContact O-CG 3.23Å; L173-L177 PolarHBondContact O-N 2.67Å; L173-L177 VanDerWaalsContact O-N 3.13Å
174L95.1Very high93.3Very high0 Ų040.3 Ų40.30%021%0.21CC..Hα-helixtrans-64.7-43.5176.7-72.9168.2000112.2I8 L49 L64 L66 V170 N171 T172 L176 L177 M178I8-L174 HydrophobicContact CG2-CD2 3.97Å; L49-L174 HydrophobicContact CD2-CD1 3.98Å; L64-L174 HydrophobicContact CD1-CD2 4.09Å; L66-L174 HydrophobicContact CD1-CD1 4.13Å; L66-L174 HydrophobicContact CD2-CD1 4.3Å; L66-L174 HydrophobicContact CD2-CD2 3.55Å; V170-L174 HydrophobicContact CG1-CD1 3.98Å; V170-L174 HydrophobicContact CG1-CG 4.36Å; V170-L174 VanDerWaalsContact O-CG 3.31Å; V170-L174 WeakPolarHBondContact O-CG 3.48Å; V170-L174 PolarHBondContact O-N 3.23Å; N171-L174 CarbonylContact O-C 3.59Å; N171-L174 WeakPolarHBondContact O-CB 3.48Å; N171-L174 PolarHBondContact O-N 3.24Å; N171-L174 VanDerWaalsContact O-N 3.08Å; T172-L174 VanDerWaalsContact C-N 3.34Å; T172-L174 PolarHBondContact O-N 3.31Å; L174-L176 VanDerWaalsContact C-N 3.29Å; L174-L176 PolarHBondContact O-N 2.98Å; L174-L177 PolarHBondContact O-N 2.77Å; L174-M178 WeakPolarHBondContact O-CB 3.18Å; L174-M178 WeakPolarHBondContact O-CG 3.39Å; L174-M178 PolarHBondContact O-N 3.08Å
175D93.4Very high92.6Very high53 Ų5339 Ų3928%0.28321%0.206SC..Hα-helixtrans-55.1-48.4177.9-65.9-22.2000110.1Y51 N171 T172 L177 M178 D179Y51-D175 VanDerWaalsContact CE2-OD1 3.23Å; Y51-D175 WeakPolarHBondContact CE2-OD1 3.42Å; Y51-D175 PolarHBondContact OH-OD1 2.96Å; N171-D175 PolarHBondContact O-N 2.91Å; T172-D175 PolarHBondContact O-N 3.08Å; D175-L177 PolarHBondContact O-N 3.04Å; D175-M178 PolarHBondContact O-N 3.21Å; D175-D179 WeakPolarHBondContact O-CB 3.43Å; D175-D179 VanDerWaalsContact O-CG 3.22Å; D175-D179 PolarHBondContact O-N 3.09Å
176L93Very high91.8Very high27 Ų2741.3 Ų41.314%0.14122%0.215CC..Hα-helixtrans-58.5-46.1177-62.1169.4000113.1D123 Y154 T172 L173 L174 R180D123-L176 HydrophobicContact CB-CB 4.19Å; D123-L176 HydrophobicContact CB-CD1 4.48Å; Y154-L176 HydrophobicContact CD2-CD1 3.42Å; Y154-L176 VanDerWaalsContact CD2-CD1 3.42Å; Y154-L176 HydrophobicContact CD2-CD2 4.28Å; Y154-L176 HydrophobicContact CD2-CG 4.42Å; Y154-L176 HydrophobicContact CE2-CD1 3.41Å; Y154-L176 VanDerWaalsContact CE2-CD1 3.41Å; Y154-L176 HydrophobicContact CE2-CD2 3.36Å; Y154-L176 HydrophobicContact CE2-CG 3.95Å; Y154-L176 HydrophobicContact CG-CD1 4.25Å; Y154-L176 WeakPolarHBondContact OH-CD2 3.43Å; T172-L176 WeakPolarHBondContact O-CG 3.4Å; T172-L176 PolarHBondContact O-N 2.93Å; L173-L176 PolarHBondContact O-N 3.39Å; L174-L176 VanDerWaalsContact C-N 3.29Å; L174-L176 PolarHBondContact O-N 2.98Å; L176-R180 WeakPolarHBondContact O-CB 3.25Å; L176-R180 PolarHBondContact O-N 3.48Å
177L92.7Very high91.1Very high3 Ų343.6 Ų43.62%0.01623%0.234CC..Hα-helixtrans-67.1-43.2-179.1-68.6173.4000111.7I8 L10 M89 D123 L173 L174 D175 R180 I181I8-L177 HydrophobicContact CG2-CD1 3.88Å; L10-L177 HydrophobicContact CD2-CD1 3.31Å; M89-L177 VanDerWaalsContact C-CD2 3.47Å; M89-L177 HydrophobicContact CB-CD1 4.34Å; M89-L177 HydrophobicContact CB-CD2 4.06Å; M89-L177 WeakPolarHBondContact O-CD2 3.32Å; D123-L177 HydrophobicContact CB-CD2 3.96Å; D123-L177 HydrophobicContact CB-CG 4.49Å; D123-L177 WeakPolarHBondContact OD2-CD2 3.29Å; L173-L177 HydrophobicContact CD1-CD1 4.45Å; L173-L177 HydrophobicContact CD1-CG 4.44Å; L173-L177 HydrophobicContact CG-CD1 4.18Å; L173-L177 VanDerWaalsContact O-CG 3.25Å; L173-L177 WeakPolarHBondContact O-CG 3.23Å; L173-L177 PolarHBondContact O-N 2.67Å; L173-L177 VanDerWaalsContact O-N 3.13Å; L174-L177 PolarHBondContact O-N 2.77Å; D175-L177 PolarHBondContact O-N 3.04Å; L177-R180 PolarHBondContact O-N 3.47Å; L177-I181 WeakPolarHBondContact O-CB 3.49Å; L177-I181 WeakPolarHBondContact O-CD1 2.84Å; L177-I181 WeakPolarHBondContact O-CG1 3.44Å; L177-I181 PolarHBondContact O-N 3.41Å
178M90.7Very high90.2Very high7 Ų745.3 Ų45.33%0.03424%0.24CC..Hα-helixtrans-68.4-39-178.6-66.5-50.9-52.500111.2Y6 I8 Y51 L64 L174 D175 I181 Q182Y6-M178 HydrophobicContact CD2-CE 4.21Å; Y6-M178 HydrophobicContact CE2-CE 4.33Å; I8-M178 HydrophobicContact CD1-SD 4.09Å; Y51-M178 HydrophobicContact CD1-CB 4.34Å; Y51-M178 HydrophobicContact CD1-CE 4.36Å; Y51-M178 HydrophobicContact CD1-CG 3.89Å; Y51-M178 HydrophobicContact CD2-CG 4.46Å; Y51-M178 HydrophobicContact CE1-CB 3.61Å; Y51-M178 HydrophobicContact CE1-CG 3.63Å; Y51-M178 HydrophobicContact CE2-CG 4.24Å; Y51-M178 HydrophobicContact CG-CG 4.3Å; L64-M178 HydrophobicContact CD1-SD 4.18Å; L64-M178 HydrophobicContact CD2-CE 4.39Å; L64-M178 HydrophobicContact CD2-SD 4.16Å; L174-M178 WeakPolarHBondContact O-CB 3.18Å; L174-M178 WeakPolarHBondContact O-CG 3.39Å; L174-M178 PolarHBondContact O-N 3.08Å; D175-M178 PolarHBondContact O-N 3.21Å; M178-I181 HydrophobicContact CE-CD1 4.42Å; M178-I181 PolarHBondContact O-N 3.38Å; M178-I181 HydrophobicContact SD-CD1 3.94Å; M178-Q182 WeakPolarHBondContact O-CB 3.33Å; M178-Q182 PolarHBondContact O-N 3.29Å
179D89.2Confident89.2Confident48 Ų4845.9 Ų45.926%0.25724%0.244SC..Hα-helixtrans-62.3-44172.6-72.3-8000110.9D175 I181 Q182 L183D175-D179 WeakPolarHBondContact O-CB 3.43Å; D175-D179 VanDerWaalsContact O-CG 3.22Å; D175-D179 PolarHBondContact O-N 3.09Å; D179-I181 PolarHBondContact O-N 2.78Å; D179-Q182 PolarHBondContact O-N 2.91Å; D179-L183 WeakPolarHBondContact O-CB 3.38Å; D179-L183 VanDerWaalsContact O-CG 3.3Å; D179-L183 WeakPolarHBondContact O-CG 3.32Å; D179-L183 PolarHBondContact O-N 3.11Å
180R88.6Confident88.3Confident84 Ų8450 Ų5032%0.31728%0.277SS..Hα-helixtrans-62.2-43.5175.6-172.4-179-65.6-135.10.5112.2C119 N121 D123 L176 L177 Q182 S184C119-R180 PolarHBondContact SG-NH1 2.87Å; C119-R180 VanDerWaalsContact SG-NH1 3.4Å; N121-R180 PolarHBondContact O-NH1 2.96Å; N121-R180 PolarHBondContact O-NH2 2.98Å; D123-R180 IonicContact OD1-CZ 2.82Å; D123-R180 IonicContact OD1-NE 3.37Å; D123-R180 IonicContact OD1-NH2 3.26Å; D123-R180 PolarHBondContact OD1-NH2 3.48Å; D123-R180 IonicContact OD2-CZ 3.98Å; D123-R180 IonicContact OD2-NE 3.18Å; D123-R180 PolarHBondContact OD2-NE 3.45Å; D123-R180 IonicContact OD2-NH2 3.85Å; D123-R180 PolarHBondContact OD2-NH2 3.43Å; L176-R180 WeakPolarHBondContact O-CB 3.25Å; L176-R180 PolarHBondContact O-N 3.48Å; L177-R180 PolarHBondContact O-N 3.47Å; R180-Q182 VanDerWaalsContact C-N 3.34Å; R180-S184 WeakPolarHBondContact O-CB 3.35Å; R180-S184 PolarHBondContact O-N 3.3Å; R180-S184 PolarHBondContact O-OG 3.38Å
181I86.6Confident87.4Confident27 Ų2755.8 Ų55.814%0.13831%0.308CS..Hα-helixtrans-61-45.6176.1-70.3163000110.1Y6 I8 M89 L177 M178 D179 S184 T185Y6-I181 HydrophobicContact CE1-CG2 3.94Å; I8-I181 HydrophobicContact CD1-CD1 3.82Å; M89-I181 HydrophobicContact CE-CD1 3.64Å; M89-I181 HydrophobicContact CE-CG1 4.19Å; L177-I181 WeakPolarHBondContact O-CB 3.49Å; L177-I181 WeakPolarHBondContact O-CD1 2.84Å; L177-I181 WeakPolarHBondContact O-CG1 3.44Å; L177-I181 PolarHBondContact O-N 3.41Å; M178-I181 HydrophobicContact CE-CD1 4.42Å; M178-I181 PolarHBondContact O-N 3.38Å; M178-I181 HydrophobicContact SD-CD1 3.94Å; D179-I181 PolarHBondContact O-N 2.78Å; I181-S184 PolarHBondContact O-N 3.31Å; I181-S184 PolarHBondContact O-OG 2.87Å; I181-T185 WeakPolarHBondContact O-CB 3.48Å; I181-T185 PolarHBondContact O-N 3.32Å; I181-T185 PolarHBondContact O-OG1 2.94Å
182Q85.1Confident85.4Confident55 Ų5555.3 Ų55.326%0.25732%0.319SS..Hα-helixtrans-62.2-50.4179.5179.8170.2-12.200111.5H56 M178 D179 R180 S184 T185 E186H56-Q182 PolarHBondContact NE2-NE2 2.83Å; M178-Q182 WeakPolarHBondContact O-CB 3.33Å; M178-Q182 PolarHBondContact O-N 3.29Å; D179-Q182 PolarHBondContact O-N 2.91Å; R180-Q182 VanDerWaalsContact C-N 3.34Å; Q182-S184 VanDerWaalsContact C-N 3.29Å; Q182-S184 PolarHBondContact O-N 3.36Å; Q182-T185 WeakPolarHBondContact O-CB 3.29Å; Q182-T185 PolarHBondContact O-N 2.79Å; Q182-T185 VanDerWaalsContact O-N 3.09Å; Q182-E186 HydrophobicContact CG-CG 4.43Å; Q182-E186 VanDerWaalsContact CG-OE1 3.32Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.46Å; Q182-E186 PolarHBondContact NE2-OE1 3.38Å; Q182-E186 WeakPolarHBondContact O-CG 3.4Å; Q182-E186 PolarHBondContact O-N 3.05Å
183L85.6Confident83.7Confident114 Ų11461.5 Ų61.560%0.59735%0.348SS*.Hα-helixtrans-58.2-40.9177.4-71.2171.5000112.1D179 A187D179-L183 WeakPolarHBondContact O-CB 3.38Å; D179-L183 VanDerWaalsContact O-CG 3.3Å; D179-L183 WeakPolarHBondContact O-CG 3.32Å; D179-L183 PolarHBondContact O-N 3.11Å; L183-A187 WeakPolarHBondContact O-CB 3.29Å; L183-A187 PolarHBondContact O-N 2.99Å
184S85.3Confident81.7Confident55 Ų5564.7 Ų64.739%0.38537%0.368SS..Hα-helixtrans-66.2-37.9177.174.10000112.5R180 I181 Q182 Q188R180-S184 WeakPolarHBondContact O-CB 3.35Å; R180-S184 PolarHBondContact O-N 3.3Å; R180-S184 PolarHBondContact O-OG 3.38Å; I181-S184 PolarHBondContact O-N 3.31Å; I181-S184 PolarHBondContact O-OG 2.87Å; Q182-S184 VanDerWaalsContact C-N 3.29Å; Q182-S184 PolarHBondContact O-N 3.36Å; S184-Q188 VanDerWaalsContact O-CG 3.25Å; S184-Q188 WeakPolarHBondContact O-CG 3.37Å; S184-Q188 PolarHBondContact O-N 3.25Å
185T82.2Confident79.1Confident54 Ų5472.3 Ų72.333%0.33140%0.403SS..Hα-helixtrans-68.8-43.8178.1-550000110.8I181 Q182 Q188 L189I181-T185 WeakPolarHBondContact O-CB 3.48Å; I181-T185 PolarHBondContact O-N 3.32Å; I181-T185 PolarHBondContact O-OG1 2.94Å; Q182-T185 WeakPolarHBondContact O-CB 3.29Å; Q182-T185 PolarHBondContact O-N 2.79Å; Q182-T185 VanDerWaalsContact O-N 3.09Å; T185-Q188 PolarHBondContact O-N 3.21Å; T185-L189 HydrophobicContact CG2-CD1 4.14Å; T185-L189 WeakPolarHBondContact O-CG 3.27Å; T185-L189 PolarHBondContact O-N 3.44Å
186E83Confident76.8Confident95 Ų9574 Ų7444%0.44442%0.42SS..Hα-helixtrans-62.8-42.8176.3-71.8173.9-174.500111.8Q182 Q188 L189 A190Q182-E186 HydrophobicContact CG-CG 4.43Å; Q182-E186 VanDerWaalsContact CG-OE1 3.32Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.46Å; Q182-E186 PolarHBondContact NE2-OE1 3.38Å; Q182-E186 WeakPolarHBondContact O-CG 3.4Å; Q182-E186 PolarHBondContact O-N 3.05Å; E186-Q188 PolarHBondContact O-N 3.35Å; E186-L189 PolarHBondContact O-N 3.32Å; E186-A190 WeakPolarHBondContact O-CB 3.26Å; E186-A190 PolarHBondContact O-N 3.26Å
187A82.8Confident74.6Confident49 Ų4979.7 Ų79.741%0.40545%0.448SS..Hα-helixtrans-63.1-39.4175.500000112.4L183 A190 N191L183-A187 WeakPolarHBondContact O-CB 3.29Å; L183-A187 PolarHBondContact O-N 2.99Å; A187-A190 PolarHBondContact O-N 3.05Å; A187-N191 WeakPolarHBondContact O-CB 3.47Å; A187-N191 VanDerWaalsContact O-CG 3.27Å; A187-N191 PolarHBondContact O-N 3.26Å; A187-N191 PolarHBondContact O-ND2 3.12Å
188Q79.1Confident72.1Confident99 Ų9987.8 Ų87.846%0.46348%0.483SS..Hα-helixtrans-66.9-38.7175.9-74.4174.9-2.100112.6S184 T185 E186 G192 M193 V194S184-Q188 VanDerWaalsContact O-CG 3.25Å; S184-Q188 WeakPolarHBondContact O-CG 3.37Å; S184-Q188 PolarHBondContact O-N 3.25Å; T185-Q188 PolarHBondContact O-N 3.21Å; E186-Q188 PolarHBondContact O-N 3.35Å; Q188-G192 PolarHBondContact O-N 3.39Å; Q188-M193 PolarHBondContact O-N 2.79Å; Q188-M193 VanDerWaalsContact O-N 3.13Å; Q188-V194 HydrophobicContact CB-CG2 4.01Å
189L77.3Confident69.6Low97 Ų9794.1 Ų94.151%0.50852%0.517SS..Hα-helixtrans-65.9-45174-73.3164.4000111.3T185 E186 N191 G192 V194T185-L189 HydrophobicContact CG2-CD1 4.14Å; T185-L189 WeakPolarHBondContact O-CG 3.27Å; T185-L189 PolarHBondContact O-N 3.44Å; E186-L189 PolarHBondContact O-N 3.32Å; L189-N191 VanDerWaalsContact C-N 3.32Å; L189-N191 PolarHBondContact O-N 3.1Å; L189-G192 PolarHBondContact O-N 3.24Å; L189-G192 VanDerWaalsContact O-N 3.11Å; L189-V194 HydrophobicContact CD2-CB 4Å; L189-V194 HydrophobicContact CD2-CG1 4.19Å
190A79.6Confident67.4Low85 Ų8594.8 Ų94.870%0.70252%0.523SS*.Hα-helixtrans-63.3-36.6177.900000112.5E186 A187 G192E186-A190 WeakPolarHBondContact O-CB 3.26Å; E186-A190 PolarHBondContact O-N 3.26Å; A187-A190 PolarHBondContact O-N 3.05Å; A190-G192 PolarHBondContact O-N 3.07Å
191N76.7Confident65.7Low123 Ų12399.9 Ų99.966%0.65856%0.556SS**THydrogen-bonded Turntrans-79.35.5176.5-70.8-27.6000113.7A187 L189 M193A187-N191 WeakPolarHBondContact O-CB 3.47Å; A187-N191 VanDerWaalsContact O-CG 3.27Å; A187-N191 PolarHBondContact O-N 3.26Å; A187-N191 PolarHBondContact O-ND2 3.12Å; L189-N191 VanDerWaalsContact C-N 3.32Å; L189-N191 PolarHBondContact O-N 3.1Å; N191-M193 PolarHBondContact O-N 2.7Å; N191-M193 VanDerWaalsContact O-N 3.09Å
192G54.9Low64.3Low58 Ų58103.8 Ų103.860%0.59858%0.577SS**THydrogen-bonded Turntrans63.714.9177.700000114.4Q188 L189 A190 V194Q188-G192 PolarHBondContact O-N 3.39Å; L189-G192 PolarHBondContact O-N 3.24Å; L189-G192 VanDerWaalsContact O-N 3.11Å; A190-G192 PolarHBondContact O-N 3.07Å; G192-V194 VanDerWaalsContact C-N 3.34Å
193M59.3Low62.2Low159 Ų159104 Ų10478%0.78360%0.595SS**  trans-80.4-16.6-178.3-80-173.4153.900112.8Q188 N191Q188-M193 PolarHBondContact O-N 2.79Å; Q188-M193 VanDerWaalsContact O-N 3.13Å; N191-M193 PolarHBondContact O-N 2.7Å; N191-M193 VanDerWaalsContact O-N 3.09Å
194V54.6Low60.1Low66 Ų66102.1 Ų102.140%0.459%0.588SS.*SBendtrans-103.2104.4171.2-1770000108.1Q188 L189 G192 S196Q188-V194 HydrophobicContact CB-CG2 4.01Å; L189-V194 HydrophobicContact CD2-CB 4Å; L189-V194 HydrophobicContact CD2-CG1 4.19Å; G192-V194 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 2.78Å
195Q42.1Very low58Low160 Ų160105 Ų10575%0.74861%0.605SS**  trans-56.7116.5168.7-76.7-177.3-9.200107.9I197Q195-I197 PolarHBondContact O-N 3.28Å
196S45Very low56.2Low90 Ų90107.4 Ų107.463%0.62962%0.62SS**  trans-48.3112.2173.956.60000109.1V194 K198V194-S196 PolarHBondContact O-N 2.78Å; S196-K198 PolarHBondContact O-N 3.39Å
197I45.8Very low54.5Low145 Ų145108.8 Ų108.874%0.74464%0.637SS**  trans-67.693.2163.5-58.5175000104.8Q195 L199Q195-I197 PolarHBondContact O-N 3.28Å; I197-L199 HydrophobicContact CG2-CD2 4.43Å; I197-L199 HydrophobicContact CG2-CG 4.42Å; I197-L199 PolarHBondContact O-N 3.29Å
198K41Very low53.2Low173 Ų173112.5 Ų112.575%0.75266%0.655SS**  trans-67.3102.3167.3-79.8-173.2176.5-177.90106.7S196 T200S196-K198 PolarHBondContact O-N 3.39Å; K198-T200 PolarHBondContact O-N 3.07Å
199L38.1Very low51.9Low141 Ų141112.7 Ų112.774%0.73867%0.668SS**  trans-72.2116.4162-68.4165.5000106.9I197I197-L199 HydrophobicContact CG2-CD2 4.43Å; I197-L199 HydrophobicContact CG2-CG 4.42Å; I197-L199 PolarHBondContact O-N 3.29Å
200T43.2Very low50.4Low62 Ų62120 Ų12038%0.3869%0.688SS.*  trans-69.3153.4164.542.90000109.1K198 D202 G203 T204K198-T200 PolarHBondContact O-N 3.07Å; T200-D202 PolarHBondContact O-N 3.1Å; T200-D202 PolarHBondContact OG1-OD1 3.21Å; T200-G203 PolarHBondContact O-N 3.06Å; T200-G203 VanDerWaalsContact O-N 3.12Å; T200-T204 PolarHBondContact OG1-O 3.06Å
201D51.5Low49Very low190 Ų190122 Ų122100%1.01670%0.695SS**THydrogen-bonded Turntrans-60.22.8178.8-118.5-5.4000114.1
202D57.7Low47.6Very low109 Ų109123.4 Ų123.458%0.58370%0.703SS**THydrogen-bonded Turntrans-113.31.2179.975.82.7000114.8T200 T204T200-D202 PolarHBondContact O-N 3.1Å; T200-D202 PolarHBondContact OG1-OD1 3.21Å; D202-T204 VanDerWaalsContact C-N 3.32Å; D202-T204 PolarHBondContact O-N 3.3Å; D202-T204 PolarHBondContact OD1-N 3.06Å; D202-T204 PolarHBondContact OD1-OG1 3.15Å; D202-T204 PolarHBondContact OD2-OG1 2.98Å
203G42.4Very low47.6Very low61 Ų61130.3 Ų130.363%0.62974%0.74SS**  trans70.118.1175.500000115.9T200T200-G203 PolarHBondContact O-N 3.06Å; T200-G203 VanDerWaalsContact O-N 3.12Å
204T41.3Very low47Very low74 Ų74128.9 Ų128.945%0.45474%0.738SS.*  trans-105.7125.8176.660.60000113.2T200 D202 T206T200-T204 PolarHBondContact OG1-O 3.06Å; D202-T204 VanDerWaalsContact C-N 3.32Å; D202-T204 PolarHBondContact O-N 3.3Å; D202-T204 PolarHBondContact OD1-N 3.06Å; D202-T204 PolarHBondContact OD1-OG1 3.15Å; D202-T204 PolarHBondContact OD2-OG1 2.98Å; T204-T206 PolarHBondContact O-N 3.14Å
205P40Very low46.6Very low114 Ų114132.2 Ų132.274%0.7476%0.755SS**PPolyproline II helixtrans-77.7117.1174.728.5-29.4000110.6
206T44.6Very low46.8Very low105 Ų105130.6 Ų130.664%0.64476%0.756SS**PPolyproline II helixtrans-80.7125171.743.80000111.5T204 T208T204-T206 PolarHBondContact O-N 3.14Å; T206-T208 PolarHBondContact O-N 3.29Å
207P47.7Very low47Very low125 Ų125133 Ų13381%0.81276%0.763SS**PPolyproline II helixtrans-77117.1174.828.7-28.8000110.2S209P207-S209 PolarHBondContact O-N 3.14Å; P207-S209 VanDerWaalsContact O-N 3.1Å
208T55.4Low47Very low126 Ų126132.3 Ų132.377%0.77377%0.765SS**  trans-7694.1166.444.70000109.3T206T206-T208 PolarHBondContact O-N 3.29Å
209S51.4Low47.4Very low104 Ų104129.5 Ų129.573%0.72777%0.765SS**  trans-81.2133.4157.271.10000108.9P207P207-S209 PolarHBondContact O-N 3.14Å; P207-S209 VanDerWaalsContact O-N 3.1Å
210R46Very low48.1Very low250 Ų250128.7 Ų128.794%0.94377%0.767SS**  trans-161.795148.4-108169.6-156.5-164.95.9110.8
211C50.6Low48.5Very low126 Ų126133.8 Ų133.885%0.85180%0.797SS**  trans31.5123.8137.3-144.10000120.1
212N47.1Very low48.2Very low153 Ų153129.2 Ų129.282%0.81878%0.779SS**  trans-59.5141.1154.2-79.9-9.2000111.7
213C54.4Low47.4Very low203 Ų203131 Ų131100%1.37280%0.797SS**  -115.20129.5-76.40000107.4

Retrieved 213 of 213 residues in 165.7 ms (Link to these results)

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