A0A5K4F6T9_SCHMA Loading...

PAP-associated domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6T9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 93 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
1M91.5Very high93.3Very high65 Ų6562.7 Ų62.732%0.3234%0.337SS..  0-70.20-158.1-163.1-166.600113.7A3 F4 Y5 Q59 Y79M1-A3 PolarHBondContact O-N 3.37Å; M1-F4 WeakPolarHBondContact O-CA 3.16Å; M1-F4 VanDerWaalsContact O-CB 3.28Å; M1-F4 WeakPolarHBondContact O-CB 3.36Å; M1-F4 PolarHBondContact O-N 2.85Å; M1-Y5 HydrophobicContact CE-CE2 3.53Å; M1-Y5 HydrophobicContact CG-CD2 4.21Å; M1-Y5 HydrophobicContact CG-CE2 3.92Å; M1-Y5 PolarHBondContact O-N 3.47Å; M1-Y5 VanDerWaalsContact O-N 3.08Å; M1-Y5 HydrophobicContact SD-CE2 4.06Å; M1-Q59 HydrophobicContact CE-CG 3.89Å; M1-Y79 HydrophobicContact CB-CD1 4.29Å; M1-Y79 HydrophobicContact CB-CE1 4.1Å; M1-Y79 HydrophobicContact CG-CD1 4.36Å; M1-Y79 HydrophobicContact CG-CD2 4.39Å; M1-Y79 HydrophobicContact CG-CG 4.26Å; M1-Y79 PolarHBondContact N-OH 3.11Å; M1-Y79 VanDerWaalsContact N-OH 3.1Å
2L93.2Very high93.4Very high49 Ų4958 Ų5826%0.25731%0.311SS..Hα-helixtrans-52.4-46.9-176.2-74.4-176000114.7F4 Y5 T6 Y39 I42 I43 I46L2-F4 PolarHBondContact O-N 3Å; L2-Y5 WeakPolarHBondContact O-CB 2.94Å; L2-Y5 PolarHBondContact O-N 2.62Å; L2-T6 PolarHBondContact O-N 3.43Å; L2-Y39 HydrophobicContact CD1-CD2 3.55Å; L2-Y39 HydrophobicContact CD1-CE2 3.32Å; L2-Y39 HydrophobicContact CG-CE2 4.04Å; L2-I42 HydrophobicContact CD1-CG2 4.3Å; L2-I42 HydrophobicContact CD2-CG2 3.69Å; L2-I43 HydrophobicContact CD2-CD1 4.03Å; L2-I46 HydrophobicContact CD2-CD1 3.25Å
3A93.7Very high93.5Very high71 Ų7166.5 Ų66.559%0.58734%0.336SS*.Hα-helixtrans-62.7-27177.200000112.8M1 T6M1-A3 PolarHBondContact O-N 3.37Å; A3-T6 PolarHBondContact O-OG1 3.28Å
4F95.3Very high93.7Very high20 Ų2068.9 Ų68.99%0.08836%0.356CS..Hα-helixtrans-77-38.7177.4-167.2-92.4000111.1M1 L2 T6 K7 V8 L58 Y79 Q80 N81 L83 I86M1-F4 WeakPolarHBondContact O-CA 3.16Å; M1-F4 VanDerWaalsContact O-CB 3.28Å; M1-F4 WeakPolarHBondContact O-CB 3.36Å; M1-F4 PolarHBondContact O-N 2.85Å; L2-F4 PolarHBondContact O-N 3Å; F4-T6 PolarHBondContact O-N 2.99Å; F4-K7 HydrophobicContact CD2-CD 4.33Å; F4-K7 WeakPolarHBondContact O-CA 3.39Å; F4-K7 WeakPolarHBondContact O-CB 3.33Å; F4-K7 PolarHBondContact O-N 3.4Å; F4-V8 HydrophobicContact CD1-CG2 3.94Å; F4-V8 HydrophobicContact CE1-CG2 3.64Å; F4-V8 HydrophobicContact CZ-CG2 4.41Å; F4-V8 PolarHBondContact O-N 3.38Å; F4-V8 VanDerWaalsContact O-N 3.07Å; F4-L58 HydrophobicContact CD1-CD1 3.72Å; F4-L58 HydrophobicContact CD1-CD2 4.42Å; F4-L58 HydrophobicContact CE1-CD1 4.41Å; F4-L58 HydrophobicContact CE1-CD2 4.32Å; F4-Y79 HydrophobicContact CB-CE2 4.08Å; F4-Y79 HydrophobicContact CD1-CE2 4.33Å; F4-Y79 HydrophobicContact CG-CE2 4.18Å; F4-Q80 WeakPolarHBondContact CE1-O 3.36Å; F4-N81 HydrophobicContact CD2-CB 4.41Å; F4-N81 VanDerWaalsContact CE2-C 3.5Å; F4-N81 HydrophobicContact CE2-CB 4.3Å; F4-N81 WeakPolarHBondContact CE2-O 3.41Å; F4-N81 VanDerWaalsContact CZ-CA 3.49Å; F4-N81 HydrophobicContact CZ-CB 4.49Å; F4-N81 WeakPolarHBondContact CZ-O 3.35Å; F4-L83 HydrophobicContact CZ-CB 4.39Å; F4-I86 HydrophobicContact CE1-CD1 3.4Å; F4-I86 VanDerWaalsContact CE1-CD1 3.4Å; F4-I86 HydrophobicContact CZ-CD1 3.96Å
5Y95.5Very high94Very high4 Ų469.3 Ų69.32%0.01636%0.359CS..Hα-helixtrans-55.8-38.8170-83.6-62.3000113.1M1 L2 K7 V8 E9 I46 Q50 L55 P56 L58M1-Y5 HydrophobicContact CE-CE2 3.53Å; M1-Y5 HydrophobicContact CG-CD2 4.21Å; M1-Y5 HydrophobicContact CG-CE2 3.92Å; M1-Y5 PolarHBondContact O-N 3.47Å; M1-Y5 VanDerWaalsContact O-N 3.08Å; M1-Y5 HydrophobicContact SD-CE2 4.06Å; L2-Y5 WeakPolarHBondContact O-CB 2.94Å; L2-Y5 PolarHBondContact O-N 2.62Å; Y5-K7 PolarHBondContact O-N 2.98Å; Y5-V8 PolarHBondContact O-N 3.1Å; Y5-E9 PolarHBondContact O-N 3.24Å; Y5-I46 HydrophobicContact CD2-CD1 3.73Å; Y5-I46 HydrophobicContact CD2-CG1 4.45Å; Y5-I46 HydrophobicContact CD2-CG2 4.41Å; Y5-I46 HydrophobicContact CE1-CG2 4.35Å; Y5-I46 HydrophobicContact CE2-CD1 4.2Å; Y5-I46 HydrophobicContact CE2-CG2 3.96Å; Y5-I46 HydrophobicContact CG-CD1 4.22Å; Y5-Q50 PolarHBondContact OH-NE2 3.09Å; Y5-L55 HydrophobicContact CD1-CD1 4Å; Y5-L55 HydrophobicContact CD1-CD2 3.56Å; Y5-L55 HydrophobicContact CD1-CG 3.84Å; Y5-L55 HydrophobicContact CE1-CD1 4.48Å; Y5-L55 HydrophobicContact CE1-CD2 3.73Å; Y5-L55 HydrophobicContact CE1-CG 3.88Å; Y5-L55 HydrophobicContact CG-CD2 4.34Å; Y5-P56 WeakPolarHBondContact CE1-O 3.44Å; Y5-P56 PolarHBondContact OH-O 3.08Å; Y5-L58 HydrophobicContact CD1-CD1 3.72Å; Y5-L58 HydrophobicContact CD1-CG 4.06Å; Y5-L58 HydrophobicContact CD2-CD1 3.98Å; Y5-L58 HydrophobicContact CE1-CD1 3.55Å; Y5-L58 HydrophobicContact CE1-CD2 4.32Å; Y5-L58 HydrophobicContact CE1-CG 3.46Å; Y5-L58 VanDerWaalsContact CE1-CG 3.46Å; Y5-L58 HydrophobicContact CE2-CD1 3.81Å; Y5-L58 HydrophobicContact CE2-CG 4.32Å; Y5-L58 HydrophobicContact CG-CD1 3.93Å; Y5-L58 PolarHBondContact OH-N 2.96Å
6T93.8Very high94.1Very high54 Ų5465.4 Ų65.433%0.33134%0.341SS..Hα-helixtrans-68.9-16.6175.6540000114.1L2 A3 F4 L12 R13L2-T6 PolarHBondContact O-N 3.43Å; A3-T6 PolarHBondContact O-OG1 3.28Å; F4-T6 PolarHBondContact O-N 2.99Å; T6-L12 HydrophobicContact CG2-CD2 4.18Å; T6-L12 HydrophobicContact CG2-CG 4.42Å; T6-R13 HydrophobicContact CG2-CB 4.4Å
7K93.2Very high94.2Very high142 Ų14266.7 Ų66.762%0.61735%0.347SS*.Hα-helixtrans-82.5-37.3170.2-65.4-178.4177.3-172.40111.6F4 Y5F4-K7 HydrophobicContact CD2-CD 4.33Å; F4-K7 WeakPolarHBondContact O-CA 3.39Å; F4-K7 WeakPolarHBondContact O-CB 3.33Å; F4-K7 PolarHBondContact O-N 3.4Å; Y5-K7 PolarHBondContact O-N 2.98Å
8V92.3Very high94.4Very high32 Ų3265.9 Ų65.919%0.19435%0.352CS..Hα-helixtrans-67.5-47.4177.5176.50000110.8F4 Y5 L55 P56 L58 L83 I86F4-V8 HydrophobicContact CD1-CG2 3.94Å; F4-V8 HydrophobicContact CE1-CG2 3.64Å; F4-V8 HydrophobicContact CZ-CG2 4.41Å; F4-V8 PolarHBondContact O-N 3.38Å; F4-V8 VanDerWaalsContact O-N 3.07Å; Y5-V8 PolarHBondContact O-N 3.1Å; V8-L55 HydrophobicContact CG1-CD1 4.27Å; V8-P56 HydrophobicContact CG1-CG 4.34Å; V8-L58 HydrophobicContact CG2-CD2 4.38Å; V8-L83 HydrophobicContact CB-CD1 4.48Å; V8-L83 HydrophobicContact CG2-CD1 3.89Å; V8-I86 HydrophobicContact CG1-CG2 4Å; V8-I86 HydrophobicContact CG2-CD1 3.79Å
9E92.2Very high94.5Very high37 Ų3764.8 Ų64.817%0.17335%0.346CS..  trans-12997.4177.8178.345.1-90.300110.1Y5 K11 L12 L55Y5-E9 PolarHBondContact O-N 3.24Å; E9-K11 HydrophobicContact CG-CB 4.29Å; E9-K11 PolarHBondContact O-N 2.84Å; E9-K11 WeakPolarHBondContact OE1-CB 3.44Å; E9-K11 WeakPolarHBondContact OE1-CD 3.42Å; E9-K11 WeakPolarHBondContact OE1-CG 3.28Å; E9-K11 PolarHBondContact OE1-N 3Å; E9-K11 IonicContact OE2-NZ 3.97Å; E9-L12 WeakPolarHBondContact O-CB 3.37Å; E9-L12 PolarHBondContact O-N 3.11Å; E9-L55 HydrophobicContact CB-CD1 3.55Å; E9-L55 HydrophobicContact CG-CD1 4.4Å
10P91.7Very high94.5Very high86 Ų8667.7 Ų67.756%0.55836%0.355SS*.THydrogen-bonded Turntrans-57.5-30.8179.9-27.336000114.4L12 R13P10-L12 PolarHBondContact O-N 2.72Å; P10-R13 PolarHBondContact O-N 3.27Å
11K93.7Very high94.6Very high130 Ų13068 Ų6857%0.56536%0.36SS*.Hα-helixtrans-62.4-25.4177.6-61.2168.4-162.5160.20112E9 R13 T14 L15E9-K11 HydrophobicContact CG-CB 4.29Å; E9-K11 PolarHBondContact O-N 2.84Å; E9-K11 WeakPolarHBondContact OE1-CB 3.44Å; E9-K11 WeakPolarHBondContact OE1-CD 3.42Å; E9-K11 WeakPolarHBondContact OE1-CG 3.28Å; E9-K11 PolarHBondContact OE1-N 3Å; E9-K11 IonicContact OE2-NZ 3.97Å; K11-R13 PolarHBondContact O-N 3.07Å; K11-T14 WeakPolarHBondContact O-CB 3.38Å; K11-T14 PolarHBondContact O-N 3.24Å; K11-L15 WeakPolarHBondContact O-CG 3.34Å; K11-L15 PolarHBondContact O-N 3.42Å
12L95.1Very high94.9Very high6 Ų668.7 Ų68.73%0.03137%0.368CS..Hα-helixtrans-56.6-35177.1-178.665.3000111.8T6 E9 P10 G16 L45 I46 L49T6-L12 HydrophobicContact CG2-CD2 4.18Å; T6-L12 HydrophobicContact CG2-CG 4.42Å; E9-L12 WeakPolarHBondContact O-CB 3.37Å; E9-L12 PolarHBondContact O-N 3.11Å; P10-L12 PolarHBondContact O-N 2.72Å; L12-G16 PolarHBondContact O-N 2.83Å; L12-L45 HydrophobicContact CD1-CD2 3.71Å; L12-L45 HydrophobicContact CD1-CG 3.8Å; L12-I46 HydrophobicContact CD1-CG1 4.05Å; L12-I46 HydrophobicContact CD2-CD1 4.28Å; L12-I46 HydrophobicContact CD2-CG1 3.93Å; L12-L49 HydrophobicContact CD1-CD1 3.7Å
13R94.8Very high95Very high168 Ų16866.5 Ų66.563%0.63436%0.356SS*.Hα-helixtrans-65.3-45.5176.5-174.5175-175.6-88.81.6111.2T6 P10 K11 G16 I17T6-R13 HydrophobicContact CG2-CB 4.4Å; P10-R13 PolarHBondContact O-N 3.27Å; K11-R13 PolarHBondContact O-N 3.07Å; R13-G16 PolarHBondContact O-N 2.91Å; R13-I17 HydrophobicContact CG-CD1 4.15Å; R13-I17 VanDerWaalsContact O-CG1 3.3Å; R13-I17 WeakPolarHBondContact O-CG1 3.23Å; R13-I17 PolarHBondContact O-N 3.24Å
14T96.4Very high94.9Very high100 Ų10071.3 Ų71.361%0.61336%0.364SS*.Hα-helixtrans-63.7-47.9178.5-56.50000110.9K11 G16 I17 A18K11-T14 WeakPolarHBondContact O-CB 3.38Å; K11-T14 PolarHBondContact O-N 3.24Å; T14-G16 VanDerWaalsContact C-N 3.35Å; T14-G16 PolarHBondContact O-N 3.18Å; T14-I17 PolarHBondContact O-N 2.9Å; T14-A18 PolarHBondContact O-N 3.34Å
15L97.1Very high94.9Very high75 Ų7576.5 Ų76.539%0.39339%0.391SS..Hα-helixtrans-62.1-41.2176.7-68.1173.6000111.9K11 I17 A18 L19 L45 L49K11-L15 WeakPolarHBondContact O-CG 3.34Å; K11-L15 PolarHBondContact O-N 3.42Å; L15-I17 PolarHBondContact O-N 3.34Å; L15-A18 PolarHBondContact O-N 3.32Å; L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 PolarHBondContact O-N 3.17Å; L15-L45 HydrophobicContact CB-CD1 4.23Å; L15-L45 HydrophobicContact CB-CD2 3.76Å; L15-L49 HydrophobicContact CD1-CD1 4.3Å; L15-L49 HydrophobicContact CD1-CD2 4.34Å
16G96.5Very high94.8Very high7 Ų779.9 Ų79.97%0.07241%0.412CS..Hα-helixtrans-63.1-39.8177.200000112.9L12 R13 T14 K20L12-G16 PolarHBondContact O-N 2.83Å; R13-G16 PolarHBondContact O-N 2.91Å; T14-G16 VanDerWaalsContact C-N 3.35Å; T14-G16 PolarHBondContact O-N 3.18Å; G16-K20 VanDerWaalsContact O-CB 3.26Å; G16-K20 WeakPolarHBondContact O-CB 3.45Å; G16-K20 PolarHBondContact O-N 3.28Å
17I96.1Very high94.7Very high88 Ų8885.6 Ų85.645%0.45143%0.433SS..Hα-helixtrans-67.3-43.2174.6-68.3165.8000110.9R13 T14 L15 K20 T21R13-I17 HydrophobicContact CG-CD1 4.15Å; R13-I17 VanDerWaalsContact O-CG1 3.3Å; R13-I17 WeakPolarHBondContact O-CG1 3.23Å; R13-I17 PolarHBondContact O-N 3.24Å; T14-I17 PolarHBondContact O-N 2.9Å; L15-I17 PolarHBondContact O-N 3.34Å; I17-K20 PolarHBondContact O-N 2.89Å; I17-T21 WeakPolarHBondContact O-CB 3.4Å; I17-T21 PolarHBondContact O-N 3.07Å; I17-T21 PolarHBondContact O-OG1 2.87Å
18A97.3Very high94.7Very high53 Ų5382.4 Ų82.444%0.43842%0.422SS..Hα-helixtrans-60.6-50.2177.200000111T14 L15 K20 T21 V22T14-A18 PolarHBondContact O-N 3.34Å; L15-A18 PolarHBondContact O-N 3.32Å; A18-K20 PolarHBondContact O-N 2.73Å; A18-T21 WeakPolarHBondContact O-CB 3.28Å; A18-T21 PolarHBondContact O-N 3.49Å; A18-T21 VanDerWaalsContact O-N 3.11Å; A18-V22 WeakPolarHBondContact O-CG2 3.49Å; A18-V22 PolarHBondContact O-N 3.2Å
19L97Very high94.5Very high45 Ų4581.7 Ų81.724%0.23642%0.421CS..Hα-helixtrans-60.6-43.2177.3-178.360000111.8L15 T21 V22 T23 W41 L45L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 PolarHBondContact O-N 3.17Å; L19-T21 VanDerWaalsContact C-N 3.27Å; L19-T21 PolarHBondContact O-N 3.41Å; L19-V22 PolarHBondContact O-N 3.38Å; L19-T23 HydrophobicContact CD1-CG2 4.25Å; L19-T23 HydrophobicContact CG-CG2 4.44Å; L19-T23 VanDerWaalsContact O-CG2 3.28Å; L19-T23 WeakPolarHBondContact O-CG2 3.46Å; L19-T23 PolarHBondContact O-N 3.14Å; L19-T23 PolarHBondContact O-OG1 2.93Å; L19-W41 HydrophobicContact CD1-CE3 4.3Å; L19-W41 HydrophobicContact CD2-CB 4.14Å; L19-W41 HydrophobicContact CD2-CE3 4.27Å; L19-W41 WeakPolarHBondContact CD2-O 3.5Å; L19-L45 HydrophobicContact CD2-CB 4.01Å; L19-L45 HydrophobicContact CD2-CD2 4.49Å
20K94.7Very high94.3Very high122 Ų12288.2 Ų88.253%0.5344%0.444SS..Hα-helixtrans-62-37176.2-169.5173.8-176.5179.30112G16 I17 A18 T23 K24G16-K20 VanDerWaalsContact O-CB 3.26Å; G16-K20 WeakPolarHBondContact O-CB 3.45Å; G16-K20 PolarHBondContact O-N 3.28Å; I17-K20 PolarHBondContact O-N 2.89Å; A18-K20 PolarHBondContact O-N 2.73Å; K20-T23 WeakPolarHBondContact CA-OG1 3.37Å; K20-T23 PolarHBondContact O-OG1 3.46Å; K20-K24 WeakPolarHBondContact O-CB 3.27Å; K20-K24 PolarHBondContact O-N 3.27Å; K20-K24 VanDerWaalsContact O-N 3.1Å
21T96Very high94.1Very high73 Ų7386.9 Ų86.945%0.44844%0.44SS..Hα-helixtrans-64.4-47175.1-58.30000110.9I17 A18 L19 T23 K24 I25I17-T21 WeakPolarHBondContact O-CB 3.4Å; I17-T21 PolarHBondContact O-N 3.07Å; I17-T21 PolarHBondContact O-OG1 2.87Å; A18-T21 WeakPolarHBondContact O-CB 3.28Å; A18-T21 PolarHBondContact O-N 3.49Å; A18-T21 VanDerWaalsContact O-N 3.11Å; L19-T21 VanDerWaalsContact C-N 3.27Å; L19-T21 PolarHBondContact O-N 3.41Å; T21-T23 PolarHBondContact O-N 2.98Å; T21-K24 PolarHBondContact O-N 3.2Å; T21-I25 HydrophobicContact CG2-CD1 3.87Å; T21-I25 WeakPolarHBondContact O-CG1 3.46Å; T21-I25 PolarHBondContact O-N 2.93Å
22V96.6Very high93.8Very high80 Ų8085.8 Ų85.849%0.48546%0.455SS..Hα-helixtrans-58.3-50.8176.8172.80000111.1A18 L19 K24 I25 T26A18-V22 WeakPolarHBondContact O-CG2 3.49Å; A18-V22 PolarHBondContact O-N 3.2Å; L19-V22 PolarHBondContact O-N 3.38Å; V22-K24 PolarHBondContact O-N 2.9Å; V22-I25 PolarHBondContact O-N 3.25Å; V22-I25 VanDerWaalsContact O-N 3.1Å; V22-T26 HydrophobicContact CG1-CG2 4.4Å; V22-T26 PolarHBondContact O-N 3.08Å; V22-T26 PolarHBondContact O-OG1 2.81Å; V22-T26 VanDerWaalsContact O-OG1 3.05Å
23T95.5Very high93.5Very high4 Ų489.3 Ų89.33%0.02548%0.48CS..Hα-helixtrans-63.6-27.2-178.959.30000113.5L19 K20 T21 K27 I28 G29 W41L19-T23 HydrophobicContact CD1-CG2 4.25Å; L19-T23 HydrophobicContact CG-CG2 4.44Å; L19-T23 VanDerWaalsContact O-CG2 3.28Å; L19-T23 WeakPolarHBondContact O-CG2 3.46Å; L19-T23 PolarHBondContact O-N 3.14Å; L19-T23 PolarHBondContact O-OG1 2.93Å; K20-T23 WeakPolarHBondContact CA-OG1 3.37Å; K20-T23 PolarHBondContact O-OG1 3.46Å; T21-T23 PolarHBondContact O-N 2.98Å; T23-K27 PolarHBondContact O-N 3.38Å; T23-I28 HydrophobicContact CG2-CD1 4.19Å; T23-I28 HydrophobicContact CG2-CG1 4.07Å; T23-I28 PolarHBondContact O-N 3Å; T23-I28 VanDerWaalsContact O-N 3.09Å; T23-G29 PolarHBondContact O-N 3.39Å; T23-G29 VanDerWaalsContact O-N 3.11Å; T23-W41 HydrophobicContact CG2-CD2 3.57Å; T23-W41 HydrophobicContact CG2-CE3 4.17Å; T23-W41 HydrophobicContact CG2-CG 3.84Å; T23-W41 HydrophobicContact CG2-CH2 4.44Å; T23-W41 HydrophobicContact CG2-CZ2 3.88Å
24K92Very high93.2Very high172 Ų17285 Ų8575%0.74849%0.489SS*.Hα-helixtrans-73-45.2173-173.9-178.7178.4-175.30111.3K20 T21 V22 K27K20-K24 WeakPolarHBondContact O-CB 3.27Å; K20-K24 PolarHBondContact O-N 3.27Å; K20-K24 VanDerWaalsContact O-N 3.1Å; T21-K24 PolarHBondContact O-N 3.2Å; V22-K24 PolarHBondContact O-N 2.9Å; K24-K27 PolarHBondContact O-N 2.86Å
25I95.2Very high92.9Very high128 Ų12881.5 Ų81.566%0.65647%0.472SS*.Hα-helixtrans-63.9-43.8179.7-67.7166.1000110.6T21 V22 K27T21-I25 HydrophobicContact CG2-CD1 3.87Å; T21-I25 WeakPolarHBondContact O-CG1 3.46Å; T21-I25 PolarHBondContact O-N 2.93Å; V22-I25 PolarHBondContact O-N 3.25Å; V22-I25 VanDerWaalsContact O-N 3.1Å; I25-K27 PolarHBondContact O-N 3.42Å
26T94.7Very high92.6Very high75 Ų7581.2 Ų81.246%0.4647%0.47SS..THydrogen-bonded Turntrans-79.5-1.9179.259.60000113.8V22 I28V22-T26 HydrophobicContact CG1-CG2 4.4Å; V22-T26 PolarHBondContact O-N 3.08Å; V22-T26 PolarHBondContact O-OG1 2.81Å; V22-T26 VanDerWaalsContact O-OG1 3.05Å; T26-I28 PolarHBondContact O-N 3.42Å; T26-I28 WeakPolarHBondContact OG1-CD1 3.47Å; T26-I28 WeakPolarHBondContact OG1-CG1 3.15Å
27K91.4Very high92.4Very high175 Ų17583 Ų8376%0.76148%0.481SS*.THydrogen-bonded Turntrans6021.2180-54.8179.2-178.2175.40115T23 K24 I25T23-K27 PolarHBondContact O-N 3.38Å; K24-K27 PolarHBondContact O-N 2.86Å; I25-K27 PolarHBondContact O-N 3.42Å
28I93.2Very high92.2Very high74 Ų7481.1 Ų81.138%0.37948%0.476SS..  trans-92.2-8177.670-174.3000113.5T23 T26 R30 G35 I36 W41T23-I28 HydrophobicContact CG2-CD1 4.19Å; T23-I28 HydrophobicContact CG2-CG1 4.07Å; T23-I28 PolarHBondContact O-N 3Å; T23-I28 VanDerWaalsContact O-N 3.09Å; T26-I28 PolarHBondContact O-N 3.42Å; T26-I28 WeakPolarHBondContact OG1-CD1 3.47Å; T26-I28 WeakPolarHBondContact OG1-CG1 3.15Å; I28-R30 PolarHBondContact O-N 2.88Å; I28-G35 CarbonylContact O-C 3.56Å; I28-G35 WeakPolarHBondContact O-CA 3.46Å; I28-I36 PolarHBondContact O-N 3.23Å; I28-W41 HydrophobicContact CD1-CH2 3.77Å; I28-W41 HydrophobicContact CD1-CZ2 3.45Å; I28-W41 VanDerWaalsContact CD1-CZ2 3.45Å; I28-W41 HydrophobicContact CG1-CZ2 3.71Å
29G88Confident92Very high17 Ų1785.2 Ų85.218%0.17548%0.481CS..  trans-87.113.1-172.700000117T23 I36T23-G29 PolarHBondContact O-N 3.39Å; T23-G29 VanDerWaalsContact O-N 3.11Å; G29-I36 CarbonylContact C-O 3.22Å; G29-I36 VanDerWaalsContact C-O 3.22Å; G29-I36 WeakPolarHBondContact CA-O 3.45Å
30R86.7Confident92Very high174 Ų17484.7 Ų84.766%0.65748%0.483SS*.  trans-112.498.8-174.2-71.7-178.169.7133.71.5111.8I28 A32 S33 G35I28-R30 PolarHBondContact O-N 2.88Å; R30-A32 VanDerWaalsContact C-N 3.3Å; R30-A32 PolarHBondContact O-N 3.2Å; R30-S33 WeakPolarHBondContact CB-OG 3.02Å; R30-S33 PolarHBondContact O-N 3.19Å; R30-S33 PolarHBondContact O-OG 3.01Å; R30-S33 VanDerWaalsContact O-OG 3.08Å; R30-G35 VanDerWaalsContact O-CA 3.29Å; R30-G35 WeakPolarHBondContact O-CA 3.47Å; R30-G35 PolarHBondContact O-N 3.25Å
31A88.1Confident92Very high59 Ų5980.6 Ų80.649%0.48846%0.464SS..G310 helixtrans-56.2-41.117900000113.7S33 G34 G35A31-S33 PolarHBondContact O-N 3.22Å; A31-S33 VanDerWaalsContact O-N 3.08Å; A31-G34 PolarHBondContact O-N 3.2Å; A31-G34 VanDerWaalsContact O-N 3.12Å; A31-G35 WeakPolarHBondContact CA-O 3.39Å
32A87.9Confident92Very high106 Ų10679.1 Ų79.188%0.87645%0.453SS*.G310 helixtrans-63.4-15.9179.700000114.2R30R30-A32 VanDerWaalsContact C-N 3.3Å; R30-A32 PolarHBondContact O-N 3.2Å
33S88Confident92Very high80 Ų8078.2 Ų78.256%0.55945%0.445SS*.G310 helixtrans-115.227.6177.961.60000112.3R30 A31 G35R30-S33 WeakPolarHBondContact CB-OG 3.02Å; R30-S33 PolarHBondContact O-N 3.19Å; R30-S33 PolarHBondContact O-OG 3.01Å; R30-S33 VanDerWaalsContact O-OG 3.08Å; A31-S33 PolarHBondContact O-N 3.22Å; A31-S33 VanDerWaalsContact O-N 3.08Å; S33-G35 VanDerWaalsContact C-N 3.3Å; S33-G35 PolarHBondContact O-N 3.07Å
34G88.6Confident92.1Very high79 Ų7982.5 Ų82.581%0.81447%0.466SS*.THydrogen-bonded Turntrans79.64.1-179.900000115.3A31A31-G34 PolarHBondContact O-N 3.2Å; A31-G34 VanDerWaalsContact O-N 3.12Å
35G89.7Confident92.4Very high25 Ų2575.2 Ų75.226%0.25844%0.435SS..SBendtrans-78.6179.2173.200000113.2I28 R30 A31 S33I28-G35 CarbonylContact O-C 3.56Å; I28-G35 WeakPolarHBondContact O-CA 3.46Å; R30-G35 VanDerWaalsContact O-CA 3.29Å; R30-G35 WeakPolarHBondContact O-CA 3.47Å; R30-G35 PolarHBondContact O-N 3.25Å; A31-G35 WeakPolarHBondContact CA-O 3.39Å; S33-G35 VanDerWaalsContact C-N 3.3Å; S33-G35 PolarHBondContact O-N 3.07Å
36I91.6Very high92.5Very high70 Ų7069.5 Ų69.536%0.35941%0.406SS..  trans-87.3136.9175.7-64.9171000109.1I28 G29 A40 W41I28-I36 PolarHBondContact O-N 3.23Å; G29-I36 CarbonylContact C-O 3.22Å; G29-I36 VanDerWaalsContact C-O 3.22Å; G29-I36 WeakPolarHBondContact CA-O 3.45Å; I36-A40 HydrophobicContact CG2-CB 3.5Å; I36-A40 VanDerWaalsContact CG2-CB 3.5Å; I36-W41 HydrophobicContact CB-CZ2 3.89Å; I36-W41 HydrophobicContact CD1-CH2 3.99Å; I36-W41 HydrophobicContact CD1-CZ2 3.71Å; I36-W41 HydrophobicContact CG1-CZ2 4.3Å; I36-W41 HydrophobicContact CG2-CD2 4.05Å; I36-W41 HydrophobicContact CG2-CG 4.09Å; I36-W41 HydrophobicContact CG2-CZ2 4.25Å; I36-W41 PolarHBondContact O-NE1 2.92Å
37S93.1Very high92.6Very high43 Ų4370.9 Ų70.930%0.30141%0.407SS..  trans-66.5151.7-179.380.20000111.9Y39 A40 W41S37-Y39 PolarHBondContact O-N 3.01Å; S37-A40 PolarHBondContact O-N 3.04Å; S37-A40 VanDerWaalsContact O-N 3.11Å; S37-A40 WeakPolarHBondContact OG-CB 3.38Å; S37-A40 PolarHBondContact OG-N 2.95Å; S37-A40 VanDerWaalsContact OG-N 3.08Å; S37-W41 PolarHBondContact O-N 2.81Å; S37-W41 VanDerWaalsContact O-N 3.09Å
38S91.4Very high92.9Very high49 Ų4969.2 Ų69.234%0.34340%0.397SS..Hα-helixtrans-57.9-32.3175-59.70000112.5I42S38-I42 WeakPolarHBondContact O-CG1 3.16Å; S38-I42 PolarHBondContact O-N 3.32Å
39Y93.7Very high93.1Very high140 Ų14066.3 Ų66.355%0.54938%0.382SS..Hα-helixtrans-65.4-47.4175.3-179.6-97000111.5L2 S37 W41 I42 I43L2-Y39 HydrophobicContact CD1-CD2 3.55Å; L2-Y39 HydrophobicContact CD1-CE2 3.32Å; L2-Y39 HydrophobicContact CG-CE2 4.04Å; S37-Y39 PolarHBondContact O-N 3.01Å; Y39-W41 VanDerWaalsContact C-N 3.3Å; Y39-W41 PolarHBondContact O-N 3.39Å; Y39-I42 PolarHBondContact O-N 3.46Å; Y39-I42 VanDerWaalsContact O-N 3.08Å; Y39-I43 HydrophobicContact CD1-CG1 4Å; Y39-I43 HydrophobicContact CE1-CD1 4.07Å; Y39-I43 HydrophobicContact CE1-CG1 3.59Å; Y39-I43 HydrophobicContact CE2-CD1 4.48Å; Y39-I43 WeakPolarHBondContact O-CG1 3.41Å; Y39-I43 PolarHBondContact O-N 2.94Å
40A95.3Very high93.5Very high33 Ų3366.9 Ų66.927%0.27338%0.38SS..Hα-helixtrans-60.1-39.5178.500000111.9I36 S37 I42 I43 M44I36-A40 HydrophobicContact CG2-CB 3.5Å; I36-A40 VanDerWaalsContact CG2-CB 3.5Å; S37-A40 PolarHBondContact O-N 3.04Å; S37-A40 VanDerWaalsContact O-N 3.11Å; S37-A40 WeakPolarHBondContact OG-CB 3.38Å; S37-A40 PolarHBondContact OG-N 2.95Å; S37-A40 VanDerWaalsContact OG-N 3.08Å; A40-I42 VanDerWaalsContact C-N 3.34Å; A40-I42 PolarHBondContact O-N 2.95Å; A40-I43 PolarHBondContact O-N 3.24Å; A40-M44 WeakPolarHBondContact O-CG 3.49Å; A40-M44 PolarHBondContact O-N 3.46Å
41W95.6Very high94Very high36 Ų3664.9 Ų64.914%0.13638%0.378CS..Hα-helixtrans-60.2-40.4173.2-75.2115.9000113.5L19 T23 I28 I36 S37 Y39 M44 L45L19-W41 HydrophobicContact CD1-CE3 4.3Å; L19-W41 HydrophobicContact CD2-CB 4.14Å; L19-W41 HydrophobicContact CD2-CE3 4.27Å; L19-W41 WeakPolarHBondContact CD2-O 3.5Å; T23-W41 HydrophobicContact CG2-CD2 3.57Å; T23-W41 HydrophobicContact CG2-CE3 4.17Å; T23-W41 HydrophobicContact CG2-CG 3.84Å; T23-W41 HydrophobicContact CG2-CH2 4.44Å; T23-W41 HydrophobicContact CG2-CZ2 3.88Å; I28-W41 HydrophobicContact CD1-CH2 3.77Å; I28-W41 HydrophobicContact CD1-CZ2 3.45Å; I28-W41 VanDerWaalsContact CD1-CZ2 3.45Å; I28-W41 HydrophobicContact CG1-CZ2 3.71Å; I36-W41 HydrophobicContact CB-CZ2 3.89Å; I36-W41 HydrophobicContact CD1-CH2 3.99Å; I36-W41 HydrophobicContact CD1-CZ2 3.71Å; I36-W41 HydrophobicContact CG1-CZ2 4.3Å; I36-W41 HydrophobicContact CG2-CD2 4.05Å; I36-W41 HydrophobicContact CG2-CG 4.09Å; I36-W41 HydrophobicContact CG2-CZ2 4.25Å; I36-W41 PolarHBondContact O-NE1 2.92Å; S37-W41 PolarHBondContact O-N 2.81Å; S37-W41 VanDerWaalsContact O-N 3.09Å; Y39-W41 VanDerWaalsContact C-N 3.3Å; Y39-W41 PolarHBondContact O-N 3.39Å; W41-M44 HydrophobicContact CE3-CE 4.29Å; W41-M44 HydrophobicContact CE3-SD 3.88Å; W41-M44 HydrophobicContact CZ3-CE 3.85Å; W41-M44 HydrophobicContact CZ3-SD 3.93Å; W41-M44 PolarHBondContact O-N 2.86Å; W41-L45 PolarHBondContact O-N 2.93Å
42I96.2Very high94.3Very high42 Ų4265.5 Ų65.522%0.21537%0.373CS..Hα-helixtrans-68.9-37.5176.4-63.3-58.9000111.2L2 S38 Y39 A40 L45 I46L2-I42 HydrophobicContact CD1-CG2 4.3Å; L2-I42 HydrophobicContact CD2-CG2 3.69Å; S38-I42 WeakPolarHBondContact O-CG1 3.16Å; S38-I42 PolarHBondContact O-N 3.32Å; Y39-I42 PolarHBondContact O-N 3.46Å; Y39-I42 VanDerWaalsContact O-N 3.08Å; A40-I42 VanDerWaalsContact C-N 3.34Å; A40-I42 PolarHBondContact O-N 2.95Å; I42-L45 PolarHBondContact O-N 3.47Å; I42-I46 HydrophobicContact CG2-CD1 4.02Å; I42-I46 WeakPolarHBondContact O-CG1 3.16Å; I42-I46 PolarHBondContact O-N 3.02Å
43I97Very high94.5Very high62 Ų6267.7 Ų67.732%0.31837%0.37SS..Hα-helixtrans-63.4-43.1173.9-65.3-62.2000111.2L2 Y39 A40 L45 I46 H47L2-I43 HydrophobicContact CD2-CD1 4.03Å; Y39-I43 HydrophobicContact CD1-CG1 4Å; Y39-I43 HydrophobicContact CE1-CD1 4.07Å; Y39-I43 HydrophobicContact CE1-CG1 3.59Å; Y39-I43 HydrophobicContact CE2-CD1 4.48Å; Y39-I43 WeakPolarHBondContact O-CG1 3.41Å; Y39-I43 PolarHBondContact O-N 2.94Å; A40-I43 PolarHBondContact O-N 3.24Å; I43-L45 VanDerWaalsContact C-N 3.31Å; I43-L45 PolarHBondContact O-N 3.3Å; I43-I46 PolarHBondContact O-N 2.85Å; I43-H47 WeakPolarHBondContact O-CB 3.17Å; I43-H47 PolarHBondContact O-N 3.45Å
44M97.2Very high94.7Very high94 Ų9469 Ų6946%0.46337%0.367SS..Hα-helixtrans-60.8-40.7175-71.6175.665.700112A40 W41 H47 Y48A40-M44 WeakPolarHBondContact O-CG 3.49Å; A40-M44 PolarHBondContact O-N 3.46Å; W41-M44 HydrophobicContact CE3-CE 4.29Å; W41-M44 HydrophobicContact CE3-SD 3.88Å; W41-M44 HydrophobicContact CZ3-CE 3.85Å; W41-M44 HydrophobicContact CZ3-SD 3.93Å; W41-M44 PolarHBondContact O-N 2.86Å; M44-H47 PolarHBondContact O-N 3.26Å; M44-Y48 WeakPolarHBondContact O-CB 3.29Å; M44-Y48 PolarHBondContact O-N 2.97Å
45L97.4Very high95Very high19 Ų1965.6 Ų65.610%0.09933%0.33CS..Hα-helixtrans-63.9-44.6175.8177.261.1000111.9L12 L15 L19 W41 I42 I43 H47 Y48 L49L12-L45 HydrophobicContact CD1-CD2 3.71Å; L12-L45 HydrophobicContact CD1-CG 3.8Å; L15-L45 HydrophobicContact CB-CD1 4.23Å; L15-L45 HydrophobicContact CB-CD2 3.76Å; L19-L45 HydrophobicContact CD2-CB 4.01Å; L19-L45 HydrophobicContact CD2-CD2 4.49Å; W41-L45 PolarHBondContact O-N 2.93Å; I42-L45 PolarHBondContact O-N 3.47Å; I43-L45 VanDerWaalsContact C-N 3.31Å; I43-L45 PolarHBondContact O-N 3.3Å; L45-H47 VanDerWaalsContact C-N 3.35Å; L45-Y48 PolarHBondContact O-N 2.91Å; L45-L49 HydrophobicContact CD1-CD1 4.37Å; L45-L49 HydrophobicContact CD1-CG 4.42Å; L45-L49 HydrophobicContact CG-CD1 4.4Å; L45-L49 WeakPolarHBondContact O-CG 3.43Å; L45-L49 PolarHBondContact O-N 2.94Å
46I97.4Very high95.2Very high7 Ų765.6 Ų65.64%0.03633%0.326CS..Hα-helixtrans-59.9-47.7175.1-75.2165.6000110.2L2 Y5 L12 I42 I43 Y48 L49 Q50 L55L2-I46 HydrophobicContact CD2-CD1 3.25Å; Y5-I46 HydrophobicContact CD2-CD1 3.73Å; Y5-I46 HydrophobicContact CD2-CG1 4.45Å; Y5-I46 HydrophobicContact CD2-CG2 4.41Å; Y5-I46 HydrophobicContact CE1-CG2 4.35Å; Y5-I46 HydrophobicContact CE2-CD1 4.2Å; Y5-I46 HydrophobicContact CE2-CG2 3.96Å; Y5-I46 HydrophobicContact CG-CD1 4.22Å; L12-I46 HydrophobicContact CD1-CG1 4.05Å; L12-I46 HydrophobicContact CD2-CD1 4.28Å; L12-I46 HydrophobicContact CD2-CG1 3.93Å; I42-I46 HydrophobicContact CG2-CD1 4.02Å; I42-I46 WeakPolarHBondContact O-CG1 3.16Å; I42-I46 PolarHBondContact O-N 3.02Å; I43-I46 PolarHBondContact O-N 2.85Å; I46-Y48 PolarHBondContact O-N 3.28Å; I46-L49 PolarHBondContact O-N 3.42Å; I46-Q50 HydrophobicContact CG2-CG 4.48Å; I46-Q50 VanDerWaalsContact O-CG 3.29Å; I46-Q50 WeakPolarHBondContact O-CG 3.49Å; I46-Q50 PolarHBondContact O-N 2.82Å; I46-L55 HydrophobicContact CB-CD2 4.34Å; I46-L55 HydrophobicContact CG1-CD2 4.21Å; I46-L55 HydrophobicContact CG2-CD2 3.98Å
47H97.6Very high95.4Very high104 Ų10464.3 Ų64.348%0.48132%0.321SS..Hα-helixtrans-60.5-45.3179-178.664.1000111.6I43 M44 L45 L49 Q50 Q51I43-H47 WeakPolarHBondContact O-CB 3.17Å; I43-H47 PolarHBondContact O-N 3.45Å; M44-H47 PolarHBondContact O-N 3.26Å; L45-H47 VanDerWaalsContact C-N 3.35Å; H47-L49 PolarHBondContact O-N 3.49Å; H47-Q50 WeakPolarHBondContact O-CB 3.3Å; H47-Q50 PolarHBondContact O-N 2.92Å; H47-Q51 WeakPolarHBondContact O-CG 3.37Å; H47-Q51 PolarHBondContact O-N 3.46Å
48Y97.8Very high95.5Very high140 Ų14062.3 Ų62.355%0.54931%0.307SS..Hα-helixtrans-56.4-48.7175.2169.9-103.9000112M44 L45 I46 Q50 Q51 I52M44-Y48 WeakPolarHBondContact O-CB 3.29Å; M44-Y48 PolarHBondContact O-N 2.97Å; L45-Y48 PolarHBondContact O-N 2.91Å; I46-Y48 PolarHBondContact O-N 3.28Å; Y48-Q50 VanDerWaalsContact C-N 3.27Å; Y48-Q50 PolarHBondContact O-N 3.08Å; Y48-Q51 PolarHBondContact O-N 3.11Å; Y48-Q51 VanDerWaalsContact O-N 3.15Å; Y48-I52 HydrophobicContact CE1-CD1 3.86Å; Y48-I52 HydrophobicContact CE2-CG2 4.17Å; Y48-I52 PolarHBondContact O-N 3.36Å
49L96.5Very high95.7Very high14 Ų1463.4 Ų63.47%0.07331%0.306CS..Hα-helixtrans-64.4-32.1179.2-67.1173.2000112.6L12 L15 L45 I46 H47 I52 D53 Q54 L55L12-L49 HydrophobicContact CD1-CD1 3.7Å; L15-L49 HydrophobicContact CD1-CD1 4.3Å; L15-L49 HydrophobicContact CD1-CD2 4.34Å; L45-L49 HydrophobicContact CD1-CD1 4.37Å; L45-L49 HydrophobicContact CD1-CG 4.42Å; L45-L49 HydrophobicContact CG-CD1 4.4Å; L45-L49 WeakPolarHBondContact O-CG 3.43Å; L45-L49 PolarHBondContact O-N 2.94Å; I46-L49 PolarHBondContact O-N 3.42Å; H47-L49 PolarHBondContact O-N 3.49Å; L49-I52 HydrophobicContact CD2-CD1 4.21Å; L49-I52 WeakPolarHBondContact O-CG1 3.29Å; L49-I52 PolarHBondContact O-N 3.04Å; L49-D53 PolarHBondContact O-N 3.19Å; L49-Q54 HydrophobicContact CB-CB 4.33Å; L49-Q54 HydrophobicContact CD2-CB 4.09Å; L49-Q54 PolarHBondContact O-N 3.26Å; L49-L55 HydrophobicContact CB-CB 3.79Å; L49-L55 HydrophobicContact CB-CD2 4.33Å; L49-L55 PolarHBondContact O-N 2.97Å
50Q96.1Very high95.7Very high29 Ų2963.1 Ų63.114%0.13631%0.31CS..Hα-helixtrans-67.3-38.1173.3-71.7169.4-30.800112.7Y5 I46 H47 Y48 I52 D53 L55 P56 V57Y5-Q50 PolarHBondContact OH-NE2 3.09Å; I46-Q50 HydrophobicContact CG2-CG 4.48Å; I46-Q50 VanDerWaalsContact O-CG 3.29Å; I46-Q50 WeakPolarHBondContact O-CG 3.49Å; I46-Q50 PolarHBondContact O-N 2.82Å; H47-Q50 WeakPolarHBondContact O-CB 3.3Å; H47-Q50 PolarHBondContact O-N 2.92Å; Y48-Q50 VanDerWaalsContact C-N 3.27Å; Y48-Q50 PolarHBondContact O-N 3.08Å; Q50-I52 PolarHBondContact O-N 3.21Å; Q50-D53 PolarHBondContact O-N 3.42Å; Q50-L55 VanDerWaalsContact CA-O 3.3Å; Q50-L55 WeakPolarHBondContact CA-O 3.36Å; Q50-L55 HydrophobicContact CG-CB 4.23Å; Q50-L55 VanDerWaalsContact CG-O 3.29Å; Q50-L55 WeakPolarHBondContact CG-O 3.26Å; Q50-P56 PolarHBondContact NE2-O 3.23Å; Q50-V57 HydrophobicContact CB-CG2 4.5Å; Q50-V57 HydrophobicContact CG-CG2 4.24Å
51Q97.1Very high95.6Very high132 Ų13262.7 Ų62.762%0.61730%0.303SS*.Hα-helixtrans-72.5-16179.5-65.6-58.3-74.700113.6H47 Y48H47-Q51 WeakPolarHBondContact O-CG 3.37Å; H47-Q51 PolarHBondContact O-N 3.46Å; Y48-Q51 PolarHBondContact O-N 3.11Å; Y48-Q51 VanDerWaalsContact O-N 3.15Å
52I95.8Very high95.4Very high72 Ų7264.7 Ų64.737%0.36931%0.311SS..THydrogen-bonded Turntrans-110.120.3176.965.6161.3000112.5Y48 L49 Q50 Q54Y48-I52 HydrophobicContact CE1-CD1 3.86Å; Y48-I52 HydrophobicContact CE2-CG2 4.17Å; Y48-I52 PolarHBondContact O-N 3.36Å; L49-I52 HydrophobicContact CD2-CD1 4.21Å; L49-I52 WeakPolarHBondContact O-CG1 3.29Å; L49-I52 PolarHBondContact O-N 3.04Å; Q50-I52 PolarHBondContact O-N 3.21Å; I52-Q54 HydrophobicContact CD1-CB 4.22Å; I52-Q54 HydrophobicContact CD1-CG 3.53Å; I52-Q54 HydrophobicContact CG1-CB 4.07Å; I52-Q54 HydrophobicContact CG1-CG 3.7Å; I52-Q54 PolarHBondContact O-N 2.89Å
53D91.9Very high95Very high152 Ų15270.4 Ų70.481%0.81334%0.337SS*.THydrogen-bonded Turntrans5623.8177.8-54.4-49.5000114.7L49 Q50L49-D53 PolarHBondContact O-N 3.19Å; Q50-D53 PolarHBondContact O-N 3.42Å
54Q92.4Very high94.6Very high106 Ų10670.7 Ų70.750%0.49536%0.355SS..SBendtrans-92.5-8.7175.7-67.6-62.8-59.400112.8L49 I52L49-Q54 HydrophobicContact CB-CB 4.33Å; L49-Q54 HydrophobicContact CD2-CB 4.09Å; L49-Q54 PolarHBondContact O-N 3.26Å; I52-Q54 HydrophobicContact CD1-CB 4.22Å; I52-Q54 HydrophobicContact CD1-CG 3.53Å; I52-Q54 HydrophobicContact CG1-CB 4.07Å; I52-Q54 HydrophobicContact CG1-CG 3.7Å; I52-Q54 PolarHBondContact O-N 2.89Å
55L93.8Very high94.3Very high8 Ų871.8 Ų71.84%0.04237%0.372CS..SBendtrans-151.8135.4-179.3-163.270.8000110.3Y5 V8 E9 I46 L49 Q50Y5-L55 HydrophobicContact CD1-CD1 4Å; Y5-L55 HydrophobicContact CD1-CD2 3.56Å; Y5-L55 HydrophobicContact CD1-CG 3.84Å; Y5-L55 HydrophobicContact CE1-CD1 4.48Å; Y5-L55 HydrophobicContact CE1-CD2 3.73Å; Y5-L55 HydrophobicContact CE1-CG 3.88Å; Y5-L55 HydrophobicContact CG-CD2 4.34Å; V8-L55 HydrophobicContact CG1-CD1 4.27Å; E9-L55 HydrophobicContact CB-CD1 3.55Å; E9-L55 HydrophobicContact CG-CD1 4.4Å; I46-L55 HydrophobicContact CB-CD2 4.34Å; I46-L55 HydrophobicContact CG1-CD2 4.21Å; I46-L55 HydrophobicContact CG2-CD2 3.98Å; L49-L55 HydrophobicContact CB-CB 3.79Å; L49-L55 HydrophobicContact CB-CD2 4.33Å; L49-L55 PolarHBondContact O-N 2.97Å; Q50-L55 VanDerWaalsContact CA-O 3.3Å; Q50-L55 WeakPolarHBondContact CA-O 3.36Å; Q50-L55 HydrophobicContact CG-CB 4.23Å; Q50-L55 VanDerWaalsContact CG-O 3.29Å; Q50-L55 WeakPolarHBondContact CG-O 3.26Å
56P94.5Very high94.1Very high26 Ų2676 Ų7617%0.16940%0.399CS..  trans-78.8165.4178.930.6-35.2000113.3Y5 V8 Q50 L58 L61 I86Y5-P56 WeakPolarHBondContact CE1-O 3.44Å; Y5-P56 PolarHBondContact OH-O 3.08Å; V8-P56 HydrophobicContact CG1-CG 4.34Å; Q50-P56 PolarHBondContact NE2-O 3.23Å; P56-L58 HydrophobicContact CG-CD2 4.36Å; P56-L58 PolarHBondContact O-N 3.02Å; P56-L61 HydrophobicContact CB-CD1 3.76Å; P56-L61 HydrophobicContact CB-CD2 4.47Å; P56-L61 HydrophobicContact CB-CG 4.37Å; P56-L61 HydrophobicContact CG-CD1 4.01Å; P56-I86 HydrophobicContact CG-CG2 4.08Å
57V95.4Very high93.9Very high43 Ų4379.5 Ų79.526%0.26141%0.414SS..  trans-88.596.1167.7-173.60000109.2Q50 Q59 E60Q50-V57 HydrophobicContact CB-CG2 4.5Å; Q50-V57 HydrophobicContact CG-CG2 4.24Å; V57-Q59 HydrophobicContact CG1-CB 4.49Å; V57-Q59 PolarHBondContact O-N 3.42Å; V57-E60 HydrophobicContact CB-CB 4.3Å; V57-E60 HydrophobicContact CB-CG 4.24Å; V57-E60 HydrophobicContact CG1-CB 4.31Å; V57-E60 HydrophobicContact CG1-CG 3.8Å; V57-E60 PolarHBondContact O-N 3.4Å
58L95.6Very high93.8Very high0 Ų076.6 Ų76.60%040%0.404CS..THydrogen-bonded Turntrans-56.2-27.7-174.8-62.3176.9000113.9F4 Y5 V8 P56 E60 L61 Y79 Q80 I86F4-L58 HydrophobicContact CD1-CD1 3.72Å; F4-L58 HydrophobicContact CD1-CD2 4.42Å; F4-L58 HydrophobicContact CE1-CD1 4.41Å; F4-L58 HydrophobicContact CE1-CD2 4.32Å; Y5-L58 HydrophobicContact CD1-CD1 3.72Å; Y5-L58 HydrophobicContact CD1-CG 4.06Å; Y5-L58 HydrophobicContact CD2-CD1 3.98Å; Y5-L58 HydrophobicContact CE1-CD1 3.55Å; Y5-L58 HydrophobicContact CE1-CD2 4.32Å; Y5-L58 HydrophobicContact CE1-CG 3.46Å; Y5-L58 VanDerWaalsContact CE1-CG 3.46Å; Y5-L58 HydrophobicContact CE2-CD1 3.81Å; Y5-L58 HydrophobicContact CE2-CG 4.32Å; Y5-L58 HydrophobicContact CG-CD1 3.93Å; Y5-L58 PolarHBondContact OH-N 2.96Å; V8-L58 HydrophobicContact CG2-CD2 4.38Å; P56-L58 HydrophobicContact CG-CD2 4.36Å; P56-L58 PolarHBondContact O-N 3.02Å; L58-E60 PolarHBondContact O-N 3.41Å; L58-L61 HydrophobicContact CD2-CD1 4.27Å; L58-Y79 HydrophobicContact CB-CD2 4.37Å; L58-Y79 HydrophobicContact CD1-CD2 4.15Å; L58-Q80 WeakPolarHBondContact O-CB 3.41Å; L58-Q80 PolarHBondContact O-N 3.1Å; L58-I86 HydrophobicContact CD2-CD1 3.46Å; L58-I86 VanDerWaalsContact CD2-CD1 3.46Å; L58-I86 HydrophobicContact CD2-CG1 4.3Å
59Q95.6Very high93.7Very high73 Ų7374.4 Ų74.434%0.34141%0.406SS..THydrogen-bonded Turntrans-75.7-9.1178.9-66.4146.9-62.600113.3M1 V57 K67M1-Q59 HydrophobicContact CE-CG 3.89Å; V57-Q59 HydrophobicContact CG1-CB 4.49Å; V57-Q59 PolarHBondContact O-N 3.42Å; Q59-K67 WeakPolarHBondContact O-CE 3.48Å; Q59-K67 PolarHBondContact O-NZ 2.88Å
60E93.8Very high93.7Very high133 Ų13377.1 Ų77.162%0.62142%0.423SS*.THydrogen-bonded Turntrans-109.3-6.7179.2-62.5-173.5169.800112.4V57 L58 Y62V57-E60 HydrophobicContact CB-CB 4.3Å; V57-E60 HydrophobicContact CB-CG 4.24Å; V57-E60 HydrophobicContact CG1-CB 4.31Å; V57-E60 HydrophobicContact CG1-CG 3.8Å; V57-E60 PolarHBondContact O-N 3.4Å; L58-E60 PolarHBondContact O-N 3.41Å; E60-Y62 WeakPolarHBondContact O-CD1 3.3Å; E60-Y62 PolarHBondContact O-N 2.85Å; E60-Y62 VanDerWaalsContact O-N 3.11Å
61L93Very high93.8Very high25 Ų2581.1 Ų81.113%0.13144%0.444CS..  trans-87.365.6-178.9-63.4-175.3000113.1P56 L58 W78 Q80 I86 I89P56-L61 HydrophobicContact CB-CD1 3.76Å; P56-L61 HydrophobicContact CB-CD2 4.47Å; P56-L61 HydrophobicContact CB-CG 4.37Å; P56-L61 HydrophobicContact CG-CD1 4.01Å; L58-L61 HydrophobicContact CD2-CD1 4.27Å; L61-W78 WeakPolarHBondContact O-CH2 3.44Å; L61-Q80 HydrophobicContact CB-CB 3.73Å; L61-Q80 HydrophobicContact CB-CG 4.02Å; L61-Q80 WeakPolarHBondContact O-CB 3.4Å; L61-Q80 PolarHBondContact O-NE2 3.41Å; L61-I86 HydrophobicContact CD1-CB 4.48Å; L61-I86 HydrophobicContact CD1-CG1 3.77Å; L61-I86 HydrophobicContact CD1-CG2 4.33Å; L61-I89 HydrophobicContact CB-CD1 4.4Å; L61-I89 HydrophobicContact CD2-CD1 4.07Å; L61-I89 HydrophobicContact CD2-CG2 4.16Å
62Y92.3Very high93.8Very high78 Ų7878.5 Ų78.531%0.30644%0.437SS..  trans-116154.317553.2-89.1000112.4E60 K67 P68 W78E60-Y62 WeakPolarHBondContact O-CD1 3.3Å; E60-Y62 PolarHBondContact O-N 2.85Å; E60-Y62 VanDerWaalsContact O-N 3.11Å; Y62-K67 HydrophobicContact CD1-CB 4.32Å; Y62-K67 HydrophobicContact CD1-CG 4.01Å; Y62-K67 HydrophobicContact CE1-CB 3.79Å; Y62-K67 HydrophobicContact CE1-CD 3.98Å; Y62-K67 HydrophobicContact CE1-CG 3.7Å; Y62-K67 HydrophobicContact CE2-CB 4.23Å; Y62-P68 VanDerWaalsContact CG-CD 3.45Å; Y62-P68 HydrophobicContact CG-CG 4.39Å; Y62-W78 VanDerWaalsContact CB-CH2 3.49Å; Y62-W78 HydrophobicContact CD1-CH2 4.35Å; Y62-W78 AromaticContact CD1-CZ3 3.96Å; Y62-W78 HydrophobicContact CD1-CZ3 3.96Å; Y62-W78 HydrophobicContact CG-CH2 4.42Å; Y62-W78 HydrophobicContact CG-CZ3 4.43Å
63E87.7Confident93.8Very high161 Ų16182.4 Ų82.475%0.75246%0.459SS*.SBendtrans-84.5148.3171.9-63.3-180179.400110.9
64G88.6Confident94Very high68 Ų6878.3 Ų78.370%0.70145%0.452SS*.SBendtrans82.5-173.1178.600000114.4
65S89.6Confident94.2Very high117 Ų11782.5 Ų82.582%0.81846%0.464SS*.SBendtrans-88.5-18-174.456.50000114
66T93Very high94.4Very high108 Ų10884.9 Ų84.966%0.66348%0.477SS*.SBendtrans-112.8124.4-171.8-54.50000110.4P68T66-P68 WeakPolarHBondContact O-CD 3.4Å
67K93.9Very high94.5Very high81 Ų8186.9 Ų86.935%0.35249%0.488SS..  trans-62.8124.5178-175.6164.9-179.3157.90110.5Q59 Y62 T69Q59-K67 WeakPolarHBondContact O-CE 3.48Å; Q59-K67 PolarHBondContact O-NZ 2.88Å; Y62-K67 HydrophobicContact CD1-CB 4.32Å; Y62-K67 HydrophobicContact CD1-CG 4.01Å; Y62-K67 HydrophobicContact CE1-CB 3.79Å; Y62-K67 HydrophobicContact CE1-CD 3.98Å; Y62-K67 HydrophobicContact CE1-CG 3.7Å; Y62-K67 HydrophobicContact CE2-CB 4.23Å; K67-T69 PolarHBondContact O-OG1 3.27Å
68P96Very high94.5Very high42 Ų4286.9 Ų86.927%0.27348%0.484SS..  trans-61.2149.9176.4-22.332.9000111.2Y62 T66 N76 W78Y62-P68 VanDerWaalsContact CG-CD 3.45Å; Y62-P68 HydrophobicContact CG-CG 4.39Å; T66-P68 WeakPolarHBondContact O-CD 3.4Å; P68-N76 PolarHBondContact O-ND2 3.25Å; P68-W78 HydrophobicContact CB-CD2 3.73Å; P68-W78 HydrophobicContact CB-CE3 4.48Å; P68-W78 HydrophobicContact CB-CG 3.79Å; P68-W78 HydrophobicContact CB-CZ2 4.22Å; P68-W78 HydrophobicContact CG-CD2 4.06Å; P68-W78 HydrophobicContact CG-CE3 4.5Å; P68-W78 HydrophobicContact CG-CH2 4.29Å; P68-W78 HydrophobicContact CG-CZ2 3.79Å; P68-W78 WeakPolarHBondContact O-CB 3.48Å
69T95.2Very high94.6Very high95 Ų9589.9 Ų89.958%0.58350%0.495SS*.  trans-124.9120.8-172.9-55.90000110.6K67 L71 N76K67-T69 PolarHBondContact O-OG1 3.27Å; T69-L71 HydrophobicContact CG2-CD1 4.38Å; T69-L71 HydrophobicContact CG2-CD2 3.54Å; T69-L71 HydrophobicContact CG2-CG 3.66Å; T69-N76 HydrophobicContact CG2-CB 4.43Å
70T96.3Very high94.5Very high71 Ų7187.3 Ų87.344%0.43648%0.483SS..  trans-124.6102.5169.1-57.80000106.8N76 V77T70-N76 PolarHBondContact N-OD1 3.43Å; T70-N76 CarbonylContact O-C 3.6Å; T70-N76 WeakPolarHBondContact O-CA 3.49Å; T70-N76 PolarHBondContact O-OD1 3.01Å; T70-V77 HydrophobicContact CG2-CG2 3.98Å; T70-V77 VanDerWaalsContact O-CG2 3.27Å; T70-V77 WeakPolarHBondContact O-CG2 3.44Å; T70-V77 PolarHBondContact O-N 3.36Å
71L97.5Very high94.6Very high112 Ų11285.9 Ų85.959%0.58648%0.48SS*.EExtended strand (participates in β ladder)trans-88.3130.4-175.1-62.7-179.4000111.9T69 W75 N76T69-L71 HydrophobicContact CG2-CD1 4.38Å; T69-L71 HydrophobicContact CG2-CD2 3.54Å; T69-L71 HydrophobicContact CG2-CG 3.66Å; L71-W75 WeakPolarHBondContact CA-O 3.44Å; L71-N76 HydrophobicContact CD2-CB 4.15Å
72V97.4Very high94.6Very high78 Ų7888.2 Ų88.247%0.47349%0.493SS..EExtended strand (participates in β ladder)trans-129.4121.4165.6176.60000107.5G74 W75 V77V72-G74 PolarHBondContact O-N 3.17Å; V72-W75 PolarHBondContact N-O 2.98Å; V72-W75 PolarHBondContact O-N 3.42Å; V72-V77 HydrophobicContact CB-CG1 4.1Å; V72-V77 HydrophobicContact CB-CG2 4.15Å; V72-V77 HydrophobicContact CG2-CG1 4.44Å; V72-V77 HydrophobicContact CG2-CG2 3.61Å
73N96.5Very high94.6Very high153 Ų15388 Ų8882%0.81850%0.496SS*.THydrogen-bonded Turntrans51.737.5-176.1-59.5-16.1000113.6W75N73-W75 VanDerWaalsContact C-N 3.27Å; N73-W75 PolarHBondContact O-N 3.22Å
74G96.6Very high94.7Very high66 Ų6684 Ų8468%0.6849%0.486SS*.THydrogen-bonded Turntrans80.5-3.5-178.500000115.4V72V72-G74 PolarHBondContact O-N 3.17Å
75W96.6Very high94.8Very high195 Ų19581.8 Ų81.874%0.73946%0.459SS*.EExtended strand (participates in β ladder)trans-101.2134.4178.9-61.693.4000111.2L71 V72 N73 V77L71-W75 WeakPolarHBondContact CA-O 3.44Å; V72-W75 PolarHBondContact N-O 2.98Å; V72-W75 PolarHBondContact O-N 3.42Å; N73-W75 VanDerWaalsContact C-N 3.27Å; N73-W75 PolarHBondContact O-N 3.22Å; W75-V77 PolarHBondContact O-N 3.03Å
76N96.9Very high94.7Very high57 Ų5776.3 Ų76.331%0.30542%0.421SS..EExtended strand (participates in β ladder)trans-73.5109172.7-173.47.6000110.2P68 T69 T70 L71 W78P68-N76 PolarHBondContact O-ND2 3.25Å; T69-N76 HydrophobicContact CG2-CB 4.43Å; T70-N76 PolarHBondContact N-OD1 3.43Å; T70-N76 CarbonylContact O-C 3.6Å; T70-N76 WeakPolarHBondContact O-CA 3.49Å; T70-N76 PolarHBondContact O-OD1 3.01Å; L71-N76 HydrophobicContact CD2-CB 4.15Å; N76-W78 WeakPolarHBondContact OD1-CB 3.38Å; N76-W78 PolarHBondContact OD1-N 3.49Å
77V96.8Very high94.4Very high69 Ų6974.8 Ų74.842%0.41841%0.411SS..  trans-99.910.6178.2-59.10000112.8T70 V72 W75T70-V77 HydrophobicContact CG2-CG2 3.98Å; T70-V77 VanDerWaalsContact O-CG2 3.27Å; T70-V77 WeakPolarHBondContact O-CG2 3.44Å; T70-V77 PolarHBondContact O-N 3.36Å; V72-V77 HydrophobicContact CB-CG1 4.1Å; V72-V77 HydrophobicContact CB-CG2 4.15Å; V72-V77 HydrophobicContact CG2-CG1 4.44Å; V72-V77 HydrophobicContact CG2-CG2 3.61Å; W75-V77 PolarHBondContact O-N 3.03Å
78W96.7Very high94Very high43 Ų4374 Ų7416%0.16342%0.416CS..  trans-61.8138.8177.6-175.990.3000111.3L61 Y62 P68 N76 Q80L61-W78 WeakPolarHBondContact O-CH2 3.44Å; Y62-W78 VanDerWaalsContact CB-CH2 3.49Å; Y62-W78 HydrophobicContact CD1-CH2 4.35Å; Y62-W78 AromaticContact CD1-CZ3 3.96Å; Y62-W78 HydrophobicContact CD1-CZ3 3.96Å; Y62-W78 HydrophobicContact CG-CH2 4.42Å; Y62-W78 HydrophobicContact CG-CZ3 4.43Å; P68-W78 HydrophobicContact CB-CD2 3.73Å; P68-W78 HydrophobicContact CB-CE3 4.48Å; P68-W78 HydrophobicContact CB-CG 3.79Å; P68-W78 HydrophobicContact CB-CZ2 4.22Å; P68-W78 HydrophobicContact CG-CD2 4.06Å; P68-W78 HydrophobicContact CG-CE3 4.5Å; P68-W78 HydrophobicContact CG-CH2 4.29Å; P68-W78 HydrophobicContact CG-CZ2 3.79Å; P68-W78 WeakPolarHBondContact O-CB 3.48Å; N76-W78 WeakPolarHBondContact OD1-CB 3.38Å; N76-W78 PolarHBondContact OD1-N 3.49Å; W78-Q80 HydrophobicContact CH2-CB 4.1Å
79Y96.2Very high93.1Very high62 Ų6274.8 Ų74.824%0.24342%0.417CS..  trans-152.4152.5169.768.1-87.1000109.3M1 F4 L58 N81M1-Y79 HydrophobicContact CB-CD1 4.29Å; M1-Y79 HydrophobicContact CB-CE1 4.1Å; M1-Y79 HydrophobicContact CG-CD1 4.36Å; M1-Y79 HydrophobicContact CG-CD2 4.39Å; M1-Y79 HydrophobicContact CG-CG 4.26Å; M1-Y79 PolarHBondContact N-OH 3.11Å; M1-Y79 VanDerWaalsContact N-OH 3.1Å; F4-Y79 HydrophobicContact CB-CE2 4.08Å; F4-Y79 HydrophobicContact CD1-CE2 4.33Å; F4-Y79 HydrophobicContact CG-CE2 4.18Å; L58-Y79 HydrophobicContact CB-CD2 4.37Å; L58-Y79 HydrophobicContact CD1-CD2 4.15Å; Y79-N81 HydrophobicContact CD2-CB 4.2Å; Y79-N81 HydrophobicContact CE2-CB 3.67Å; Y79-N81 PolarHBondContact O-N 2.91Å
80Q95.2Very high92.1Very high19 Ų1973.4 Ų73.49%0.08941%0.408CS..  trans-64.2118.2174.2-175.751.4-93.800110.6F4 L58 L61 W78 D82 V85 I86F4-Q80 WeakPolarHBondContact CE1-O 3.36Å; L58-Q80 WeakPolarHBondContact O-CB 3.41Å; L58-Q80 PolarHBondContact O-N 3.1Å; L61-Q80 HydrophobicContact CB-CB 3.73Å; L61-Q80 HydrophobicContact CB-CG 4.02Å; L61-Q80 WeakPolarHBondContact O-CB 3.4Å; L61-Q80 PolarHBondContact O-NE2 3.41Å; W78-Q80 HydrophobicContact CH2-CB 4.1Å; Q80-D82 VanDerWaalsContact OE1-CB 3.3Å; Q80-V85 HydrophobicContact CG-CG1 4.37Å; Q80-I86 HydrophobicContact CG-CD1 4.05Å; Q80-I86 HydrophobicContact CG-CG1 3.73Å
81N94.7Very high90.8Very high104 Ų10474.2 Ų74.256%0.55642%0.417SS*.  trans-121.59-177.668.8-3.7000113F4 Y79F4-N81 HydrophobicContact CD2-CB 4.41Å; F4-N81 VanDerWaalsContact CE2-C 3.5Å; F4-N81 HydrophobicContact CE2-CB 4.3Å; F4-N81 WeakPolarHBondContact CE2-O 3.41Å; F4-N81 VanDerWaalsContact CZ-CA 3.49Å; F4-N81 HydrophobicContact CZ-CB 4.49Å; F4-N81 WeakPolarHBondContact CZ-O 3.35Å; Y79-N81 HydrophobicContact CD2-CB 4.2Å; Y79-N81 HydrophobicContact CE2-CB 3.67Å; Y79-N81 PolarHBondContact O-N 2.91Å
82D93.4Very high89Confident73 Ų7373.6 Ų73.639%0.3942%0.422SS..  trans-94.5117.2167.8-166.1-28.4000109.9Q80 S84 V85 I86Q80-D82 VanDerWaalsContact OE1-CB 3.3Å; D82-S84 VanDerWaalsContact C-N 3.28Å; D82-S84 VanDerWaalsContact CG-OG 3.22Å; D82-S84 PolarHBondContact O-N 3.15Å; D82-S84 WeakPolarHBondContact OD1-CB 3.47Å; D82-S84 PolarHBondContact OD1-N 3.36Å; D82-S84 PolarHBondContact OD1-OG 3.32Å; D82-S84 PolarHBondContact OD2-OG 3.07Å; D82-V85 HydrophobicContact CB-CB 4.28Å; D82-V85 HydrophobicContact CB-CG2 3.89Å; D82-I86 WeakPolarHBondContact O-CG1 3.37Å; D82-I86 PolarHBondContact O-N 3.04Å
83L91.6Very high86.6Confident74 Ų7482.2 Ų82.239%0.38745%0.448SS..Hα-helixtrans-69-30.4-179.4-170.864.6000111.6F4 V8 I86 V87F4-L83 HydrophobicContact CZ-CB 4.39Å; V8-L83 HydrophobicContact CB-CD1 4.48Å; V8-L83 HydrophobicContact CG2-CD1 3.89Å; L83-I86 PolarHBondContact O-N 2.89Å; L83-V87 HydrophobicContact CG-CG2 4.42Å; L83-V87 WeakPolarHBondContact O-CG2 3.33Å; L83-V87 PolarHBondContact O-N 3.37Å
84S90.9Very high86.2Confident76 Ų7678.7 Ų78.753%0.53143%0.43SS..Hα-helixtrans-66-43.2-178.967.80000111.7D82 I86 V87 S88D82-S84 VanDerWaalsContact C-N 3.28Å; D82-S84 VanDerWaalsContact CG-OG 3.22Å; D82-S84 PolarHBondContact O-N 3.15Å; D82-S84 WeakPolarHBondContact OD1-CB 3.47Å; D82-S84 PolarHBondContact OD1-N 3.36Å; D82-S84 PolarHBondContact OD1-OG 3.32Å; D82-S84 PolarHBondContact OD2-OG 3.07Å; S84-I86 VanDerWaalsContact C-N 3.3Å; S84-I86 PolarHBondContact O-N 3.08Å; S84-V87 PolarHBondContact O-N 3.39Å; S84-S88 PolarHBondContact O-N 3.09Å; S84-S88 PolarHBondContact O-OG 3.08Å
85V89.3Confident85.6Confident23 Ų2379.4 Ų79.414%0.13942%0.417CS..Hα-helixtrans-61.9-38.9175.3178.20000111.3Q80 D82 S88 I89Q80-V85 HydrophobicContact CG-CG1 4.37Å; D82-V85 HydrophobicContact CB-CB 4.28Å; D82-V85 HydrophobicContact CB-CG2 3.89Å; V85-S88 WeakPolarHBondContact CA-OG 3.33Å; V85-S88 PolarHBondContact O-OG 3.3Å; V85-I89 HydrophobicContact CG1-CD1 3.89Å; V85-I89 WeakPolarHBondContact O-CD1 3.19Å; V85-I89 VanDerWaalsContact O-CG1 3.23Å; V85-I89 WeakPolarHBondContact O-CG1 3.29Å; V85-I89 PolarHBondContact O-N 3.12Å; V85-I89 VanDerWaalsContact O-N 3.17Å
86I89.1Confident85Confident2 Ų272.9 Ų72.91%0.0140%0.399CS..Hα-helixtrans-68.2-48.7179.5-64.6166.3000110.3F4 V8 P56 L58 L61 Q80 D82 L83 S84 S88 I89 T90F4-I86 HydrophobicContact CE1-CD1 3.4Å; F4-I86 VanDerWaalsContact CE1-CD1 3.4Å; F4-I86 HydrophobicContact CZ-CD1 3.96Å; V8-I86 HydrophobicContact CG1-CG2 4Å; V8-I86 HydrophobicContact CG2-CD1 3.79Å; P56-I86 HydrophobicContact CG-CG2 4.08Å; L58-I86 HydrophobicContact CD2-CD1 3.46Å; L58-I86 VanDerWaalsContact CD2-CD1 3.46Å; L58-I86 HydrophobicContact CD2-CG1 4.3Å; L61-I86 HydrophobicContact CD1-CB 4.48Å; L61-I86 HydrophobicContact CD1-CG1 3.77Å; L61-I86 HydrophobicContact CD1-CG2 4.33Å; Q80-I86 HydrophobicContact CG-CD1 4.05Å; Q80-I86 HydrophobicContact CG-CG1 3.73Å; D82-I86 WeakPolarHBondContact O-CG1 3.37Å; D82-I86 PolarHBondContact O-N 3.04Å; L83-I86 PolarHBondContact O-N 2.89Å; S84-I86 VanDerWaalsContact C-N 3.3Å; S84-I86 PolarHBondContact O-N 3.08Å; I86-S88 VanDerWaalsContact C-N 3.31Å; I86-S88 PolarHBondContact O-N 3.28Å; I86-I89 PolarHBondContact O-N 3.43Å; I86-I89 VanDerWaalsContact O-N 3.14Å; I86-T90 HydrophobicContact CG2-CG2 4.4Å; I86-T90 PolarHBondContact O-N 3.23Å; I86-T90 PolarHBondContact O-OG1 3.41Å
87V85.9Confident84.3Confident75 Ų7573.9 Ų73.946%0.45540%0.404SS..Hα-helixtrans-58.1-45.3179.1171.50000110.3L83 S84 I89 T90 S91L83-V87 HydrophobicContact CG-CG2 4.42Å; L83-V87 WeakPolarHBondContact O-CG2 3.33Å; L83-V87 PolarHBondContact O-N 3.37Å; S84-V87 PolarHBondContact O-N 3.39Å; V87-I89 VanDerWaalsContact C-N 3.3Å; V87-I89 PolarHBondContact O-N 3.35Å; V87-T90 WeakPolarHBondContact CA-OG1 3.28Å; V87-T90 PolarHBondContact O-N 3.05Å; V87-T90 PolarHBondContact O-OG1 3.21Å; V87-S91 VanDerWaalsContact O-CB 3.28Å; V87-S91 WeakPolarHBondContact O-CB 3.38Å; V87-S91 PolarHBondContact O-N 2.91Å; V87-S91 PolarHBondContact O-OG 3.11Å; V87-S91 VanDerWaalsContact O-OG 3.07Å
88S84.9Confident83.5Confident66 Ų6674.2 Ų74.246%0.46240%0.403SS..Hα-helixtrans-60.4-38.5178.1590000112.9S84 V85 I86 S92S84-S88 PolarHBondContact O-N 3.09Å; S84-S88 PolarHBondContact O-OG 3.08Å; V85-S88 WeakPolarHBondContact CA-OG 3.33Å; V85-S88 PolarHBondContact O-OG 3.3Å; I86-S88 VanDerWaalsContact C-N 3.31Å; I86-S88 PolarHBondContact O-N 3.28Å; S88-S92 PolarHBondContact O-OG 3.25Å
89I77.7Confident82.6Confident57 Ų5776.3 Ų76.329%0.29242%0.419SS..Hα-helixtrans-71.5-46.9178.4-65.9165.9000110.8L61 V85 I86 V87 S91 S92 Y93L61-I89 HydrophobicContact CB-CD1 4.4Å; L61-I89 HydrophobicContact CD2-CD1 4.07Å; L61-I89 HydrophobicContact CD2-CG2 4.16Å; V85-I89 HydrophobicContact CG1-CD1 3.89Å; V85-I89 WeakPolarHBondContact O-CD1 3.19Å; V85-I89 VanDerWaalsContact O-CG1 3.23Å; V85-I89 WeakPolarHBondContact O-CG1 3.29Å; V85-I89 PolarHBondContact O-N 3.12Å; V85-I89 VanDerWaalsContact O-N 3.17Å; I86-I89 PolarHBondContact O-N 3.43Å; I86-I89 VanDerWaalsContact O-N 3.14Å; V87-I89 VanDerWaalsContact C-N 3.3Å; V87-I89 PolarHBondContact O-N 3.35Å; I89-S91 PolarHBondContact O-N 2.95Å; I89-S92 WeakPolarHBondContact O-CB 3.43Å; I89-S92 PolarHBondContact O-N 3.1Å; I89-Y93 WeakPolarHBondContact O-CD2 3.33Å
90T73.5Confident81.7Confident66 Ų6677.3 Ų77.341%0.40543%0.432SS..Hα-helixtrans-71.4-29-177.646.90000113.7I86 V87 S92I86-T90 HydrophobicContact CG2-CG2 4.4Å; I86-T90 PolarHBondContact O-N 3.23Å; I86-T90 PolarHBondContact O-OG1 3.41Å; V87-T90 WeakPolarHBondContact CA-OG1 3.28Å; V87-T90 PolarHBondContact O-N 3.05Å; V87-T90 PolarHBondContact O-OG1 3.21Å; T90-S92 PolarHBondContact O-N 3.34Å
91S69.9Low80.6Confident89 Ų8981.8 Ų81.862%0.62246%0.458SS*.THydrogen-bonded Turntrans-77.7-5175.4-640000113.7V87 I89 Y93V87-S91 VanDerWaalsContact O-CB 3.28Å; V87-S91 WeakPolarHBondContact O-CB 3.38Å; V87-S91 PolarHBondContact O-N 2.91Å; V87-S91 PolarHBondContact O-OG 3.11Å; V87-S91 VanDerWaalsContact O-OG 3.07Å; I89-S91 PolarHBondContact O-N 2.95Å; S91-Y93 VanDerWaalsContact C-N 3.31Å
92S59.7Low79.5Confident99 Ų9979.9 Ų79.969%0.69245%0.45SS*.THydrogen-bonded Turntrans-88.33178.1-59.40000113.5S88 I89 T90S88-S92 PolarHBondContact O-OG 3.25Å; I89-S92 WeakPolarHBondContact O-CB 3.43Å; I89-S92 PolarHBondContact O-N 3.1Å; T90-S92 PolarHBondContact O-N 3.34Å
93Y47.6Very low78.2Confident259 Ų25980.5 Ų80.5100%1.01646%0.456SS*.  trans-114.10174.9-67.6-85.1000110.4I89 S91I89-Y93 WeakPolarHBondContact O-CD2 3.33Å; S91-Y93 VanDerWaalsContact C-N 3.31Å

Retrieved 93 of 93 residues in 125.4 ms (Link to these results)

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