A0A077Z0Z1_TRITR Loading...

Miro domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0Z1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 197 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
1M62.1Low90Very high247 Ų24752.7 Ų52.7100%1.21725%0.25SS*.  01360-72.1176.2175.800107.3
2G77.7Confident90.5Very high24 Ų2448.8 Ų48.825%0.24724%0.235CC..PPolyproline II helixtrans-66.5152177.400000112.2R53 D54 Y55G2-R53 WeakPolarHBondContact CA-O 3.31Å; G2-D54 WeakPolarHBondContact CA-OD1 3.42Å; G2-Y55 WeakPolarHBondContact O-CE1 3.3Å
3R85.2Confident90.9Very high151 Ų15156.2 Ų56.257%0.5727%0.265SS*.PPolyproline II helixtrans-78126.7171.2-178.7175.4-78.7-175.7-1.1109.3D54 Y55R3-D54 PolarHBondContact N-OD1 3.48Å; R3-D54 WeakPolarHBondContact O-CB 3.13Å; R3-Y55 PolarHBondContact O-N 2.92Å
4P90.5Very high91.3Very high44 Ų4461.8 Ų61.829%0.28629%0.288SS..EExtended strand (participates in β ladder)trans-69.3136.7169.226.1-30.6000110.1Y55 I57P4-Y55 HydrophobicContact CB-CD2 4.3Å; P4-Y55 HydrophobicContact CB-CE1 4.44Å; P4-Y55 HydrophobicContact CB-CE2 3.53Å; P4-I57 HydrophobicContact CB-CD1 4.01Å
5L92.5Very high91.7Very high0 Ų057.7 Ų57.70%027%0.269CS..EExtended strand (participates in β ladder)trans-114.2125.4165.4-75.5-179.5000108.9I47 Y55 L56 I57 D79 F80 Y170 F171L5-I47 HydrophobicContact CD1-CD1 4.09Å; L5-Y55 PolarHBondContact N-O 2.8Å; L5-L56 HydrophobicContact CB-CD1 3.77Å; L5-L56 CarbonylContact O-C 3.57Å; L5-L56 WeakPolarHBondContact O-CA 3.27Å; L5-L56 WeakPolarHBondContact O-CD1 3.37Å; L5-I57 PolarHBondContact O-N 2.75Å; L5-D79 WeakPolarHBondContact CA-OD2 3.35Å; L5-D79 HydrophobicContact CD2-CB 4.21Å; L5-F80 HydrophobicContact CB-CE2 3.97Å; L5-F80 HydrophobicContact CD1-CE2 3.92Å; L5-F80 HydrophobicContact CD1-CZ 4.33Å; L5-F80 HydrophobicContact CD2-CE2 3.95Å; L5-F80 HydrophobicContact CD2-CZ 4.48Å; L5-F80 HydrophobicContact CG-CE2 4.17Å; L5-Y170 HydrophobicContact CD1-CD1 4.05Å; L5-Y170 HydrophobicContact CD1-CE1 4.49Å; L5-Y170 HydrophobicContact CD1-CG 4.25Å; L5-Y170 HydrophobicContact CD2-CD1 3.78Å; L5-Y170 HydrophobicContact CD2-CD2 3.88Å; L5-Y170 HydrophobicContact CD2-CE1 3.51Å; L5-Y170 HydrophobicContact CD2-CE2 3.57Å; L5-Y170 HydrophobicContact CD2-CG 3.98Å; L5-Y170 HydrophobicContact CG-CD1 4.49Å; L5-Y170 HydrophobicContact CG-CE1 4.46Å; L5-F171 HydrophobicContact CD1-CE1 4.45Å; L5-F171 HydrophobicContact CD1-CE2 3.45Å; L5-F171 VanDerWaalsContact CD1-CE2 3.45Å; L5-F171 HydrophobicContact CD1-CZ 3.4Å; L5-F171 VanDerWaalsContact CD1-CZ 3.4Å; L5-F171 HydrophobicContact CG-CZ 4.21Å
6R95.1Very high92Very high112 Ų11255.2 Ų55.242%0.42326%0.263SS..EExtended strand (participates in β ladder)trans-102116.4-178.8-66.6-176.4-177.8122.6-4.5110.6I57 D79 F80R6-I57 HydrophobicContact CG-CB 4.4Å; R6-I57 HydrophobicContact CG-CD1 4.23Å; R6-D79 PolarHBondContact N-OD2 2.84Å; R6-D79 PolarHBondContact O-N 3.48Å; R6-F80 PolarHBondContact O-N 2.83Å
7A96.4Very high92.4Very high0 Ų052.5 Ų52.50%025%0.25CS..EExtended strand (participates in β ladder)trans-105.8124.2167.700000110.4L56 I57 L58 M59 F80 L82A7-L56 HydrophobicContact CB-CD1 4.05Å; A7-I57 PolarHBondContact N-O 3.28Å; A7-L58 HydrophobicContact CB-CD2 3.84Å; A7-M59 PolarHBondContact O-N 2.98Å; A7-F80 CarbonylContact C-O 3.52Å; A7-F80 VanDerWaalsContact CA-O 3.26Å; A7-F80 WeakPolarHBondContact CA-O 3.4Å; A7-F80 HydrophobicContact CB-CB 3.88Å; A7-F80 HydrophobicContact CB-CD2 4.44Å; A7-L82 HydrophobicContact CB-CD1 4.41Å
8I97.5Very high92.7Very high1 Ų151.7 Ų51.71%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-104121.4177.7-55.3-171.8000108.4V10 M59 T61 L74 L75 P77 A78 F80 L82I8-V10 HydrophobicContact CG2-CG1 4.13Å; I8-M59 HydrophobicContact CD1-SD 4.08Å; I8-M59 HydrophobicContact CG1-CB 4.42Å; I8-M59 HydrophobicContact CG1-CG 4.49Å; I8-M59 HydrophobicContact CG1-SD 3.93Å; I8-T61 HydrophobicContact CG2-CG2 4.12Å; I8-L74 WeakPolarHBondContact CD1-O 3.41Å; I8-L74 HydrophobicContact CG2-CD1 4.38Å; I8-L74 HydrophobicContact CG2-CG 4.3Å; I8-L75 HydrophobicContact CB-CD2 4.3Å; I8-L75 HydrophobicContact CG2-CD2 3.89Å; I8-P77 HydrophobicContact CD1-CG 4.02Å; I8-A78 HydrophobicContact CB-CB 4.33Å; I8-A78 HydrophobicContact CD1-CB 3.79Å; I8-A78 HydrophobicContact CG1-CB 3.83Å; I8-F80 PolarHBondContact N-O 3.05Å; I8-L82 PolarHBondContact O-N 3.34Å
9V97.9Very high93Very high1 Ų149.7 Ų49.71%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-106.7111.2-173-170.80000109.7K17 L21 M59 T61 L82 V84V9-K17 HydrophobicContact CG1-CB 4.19Å; V9-K17 HydrophobicContact CG1-CD 4.16Å; V9-K17 HydrophobicContact CG1-CG 4.14Å; V9-L21 HydrophobicContact CB-CD1 4.13Å; V9-L21 HydrophobicContact CG1-CD1 4.37Å; V9-L21 HydrophobicContact CG2-CD1 3.99Å; V9-L21 HydrophobicContact CG2-CD2 3.93Å; V9-L21 HydrophobicContact CG2-CG 4.39Å; V9-M59 WeakPolarHBondContact CB-O 3.33Å; V9-M59 PolarHBondContact N-O 3.24Å; V9-T61 WeakPolarHBondContact O-CG2 3.2Å; V9-T61 PolarHBondContact O-N 2.94Å; V9-T61 PolarHBondContact O-OG1 3.05Å; V9-L82 WeakPolarHBondContact CA-O 3.31Å; V9-L82 HydrophobicContact CB-CB 4.41Å; V9-L82 HydrophobicContact CG1-CB 4.21Å; V9-L82 HydrophobicContact CG2-CB 4.07Å; V9-L82 HydrophobicContact CG2-CD1 3.85Å; V9-L82 HydrophobicContact CG2-CG 4.37Å; V9-V84 HydrophobicContact CG1-CG2 3.52Å
10V97.8Very high93.3Very high0 Ų047.3 Ų47.30%023%0.23CC..EExtended strand (participates in β ladder)trans-124.3159-173.8-71.80000111.4I8 T61 L64 L74 L75 V81 L82 F83 V84 F95I8-V10 HydrophobicContact CG2-CG1 4.13Å; V10-T61 HydrophobicContact CG1-CG2 3.97Å; V10-L64 HydrophobicContact CB-CD1 4.17Å; V10-L64 HydrophobicContact CG1-CD1 3.78Å; V10-L74 HydrophobicContact CG1-CD2 4.05Å; V10-L75 HydrophobicContact CG1-CD2 4.03Å; V10-L75 HydrophobicContact CG2-CD2 4.23Å; V10-V81 HydrophobicContact CG2-CG1 4.06Å; V10-L82 PolarHBondContact N-O 3.28Å; V10-F83 HydrophobicContact CG2-CD1 3.44Å; V10-F83 VanDerWaalsContact CG2-CD1 3.44Å; V10-F83 HydrophobicContact CG2-CE1 3.66Å; V10-F83 HydrophobicContact CG2-CG 4.48Å; V10-F83 CarbonylContact O-C 3.59Å; V10-F83 WeakPolarHBondContact O-CA 3.44Å; V10-V84 PolarHBondContact O-N 3.48Å; V10-F95 HydrophobicContact CB-CZ 4.07Å; V10-F95 HydrophobicContact CG2-CZ 4.19Å
11G97.6Very high93.5Very high0 Ų045.1 Ų45.10%022%0.22CC..  trans150.4172.1-178.400000112K17 G63 L64G11-K17 PolarHBondContact O-NZ 3.08Å; G11-G63 WeakPolarHBondContact O-CA 2.94Å; G11-L64 PolarHBondContact O-N 3.25Å
12G96.4Very high95.1Very high6 Ų633.6 Ų33.66%0.06216%0.164CC..  trans-54.4167.6-177.500000115.7V15 K17 L64G12-V15 WeakPolarHBondContact O-CG2 3.37Å; G12-K17 PolarHBondContact O-NZ 3.03Å; G12-K17 VanDerWaalsContact O-NZ 3.13Å; G12-L64 WeakPolarHBondContact CA-O 3.43Å
13K95.5Very high96.1Very high145 Ų14533.2 Ų33.263%0.6316%0.155SC*.THydrogen-bonded Turntrans-61.7142.7167.1-65.3175.1-175.3174.70109.6V15 N89K13-V15 PolarHBondContact O-N 2.83Å; K13-N89 PolarHBondContact O-ND2 2.88Å
14K96Very high96.6Very high134 Ų13426.3 Ų26.358%0.58313%0.13SC*.THydrogen-bonded Turntrans59.115.5174.5-57.6179.9176.4-177.90116.8G16 Y35 K121K14-G16 VanDerWaalsContact C-N 3.3Å; K14-Y35 HydrophobicContact CB-CE2 4.46Å; K14-Y35 HydrophobicContact CD-CD1 4.32Å; K14-Y35 HydrophobicContact CD-CE1 4.29Å; K14-Y35 VanDerWaalsContact CE-CD1 3.42Å; K14-Y35 HydrophobicContact CG-CD1 4.08Å; K14-Y35 HydrophobicContact CG-CD2 3.94Å; K14-Y35 HydrophobicContact CG-CE1 3.78Å; K14-Y35 HydrophobicContact CG-CE2 3.65Å; K14-Y35 HydrophobicContact CG-CG 4.14Å; K14-K121 PolarHBondContact O-NZ 2.76Å
15V97.3Very high96.8Very high1 Ų124.3 Ų24.31%0.00612%0.116CC..SBendtrans-76.1-16.3174.5-60.20000113.5G12 K13 K17 V84 A86 N89 N120G12-V15 WeakPolarHBondContact O-CG2 3.37Å; K13-V15 PolarHBondContact O-N 2.83Å; V15-K17 HydrophobicContact CG2-CG 3.88Å; V15-V84 HydrophobicContact CB-CG1 4.28Å; V15-V84 HydrophobicContact CG2-CB 3.99Å; V15-V84 HydrophobicContact CG2-CG1 3.8Å; V15-V84 WeakPolarHBondContact CG2-O 3.43Å; V15-A86 HydrophobicContact CB-CB 4.09Å; V15-A86 HydrophobicContact CG1-CB 4.25Å; V15-N89 HydrophobicContact CG1-CB 4.48Å; V15-N120 PolarHBondContact O-ND2 3.34Å
16G97.4Very high96.9Very high17 Ų1727.3 Ų27.318%0.17514%0.137CC..SBendtrans107.716.4172.900000116.5K14 T18 A19 I20K14-G16 VanDerWaalsContact C-N 3.3Å; G16-T18 PolarHBondContact O-N 3.28Å; G16-A19 PolarHBondContact O-N 2.71Å; G16-A19 VanDerWaalsContact O-N 3.14Å; G16-I20 WeakPolarHBondContact O-CG1 3.3Å; G16-I20 PolarHBondContact O-N 2.74Å
17K98.3Very high96.8Very high10 Ų1023.8 Ų23.84%0.04314%0.135CC..Hα-helixtrans-46.8-61.2177.9-60.3-167.9-60.3-75.50113.2V9 G11 G12 V15 A19 I20 L21 T61 P62 V84V9-K17 HydrophobicContact CG1-CB 4.19Å; V9-K17 HydrophobicContact CG1-CD 4.16Å; V9-K17 HydrophobicContact CG1-CG 4.14Å; G11-K17 PolarHBondContact O-NZ 3.08Å; G12-K17 PolarHBondContact O-NZ 3.03Å; G12-K17 VanDerWaalsContact O-NZ 3.13Å; V15-K17 HydrophobicContact CG2-CG 3.88Å; K17-A19 VanDerWaalsContact C-N 3.27Å; K17-A19 PolarHBondContact O-N 3.3Å; K17-I20 PolarHBondContact O-N 3.46Å; K17-L21 WeakPolarHBondContact O-CG 3.45Å; K17-L21 PolarHBondContact O-N 3.03Å; K17-T61 WeakPolarHBondContact CE-O 3.36Å; K17-P62 PolarHBondContact NZ-O 3.03Å; K17-V84 HydrophobicContact CG-CB 3.81Å; K17-V84 HydrophobicContact CG-CG1 4.27Å; K17-V84 HydrophobicContact CG-CG2 3.88Å
18T98.2Very high96.8Very high37 Ų3727.6 Ų27.623%0.22715%0.153CC..Hα-helixtrans-60.6-34.6180-49.10000112.8G16 L21 S22 I30 T38 D60G16-T18 PolarHBondContact O-N 3.28Å; T18-L21 PolarHBondContact O-N 2.95Å; T18-S22 WeakPolarHBondContact O-CB 3.05Å; T18-S22 PolarHBondContact O-N 3.49Å; T18-I30 HydrophobicContact CG2-CD1 4.01Å; T18-T38 PolarHBondContact OG1-OG1 3.38Å; T18-D60 WeakPolarHBondContact CA-OD2 3.23Å; T18-D60 VanDerWaalsContact CB-OD2 3.26Å; T18-D60 WeakPolarHBondContact CB-OD2 3.33Å; T18-D60 WeakPolarHBondContact CG2-OD2 3.22Å; T18-D60 PolarHBondContact OG1-OD1 2.81Å; T18-D60 PolarHBondContact OG1-OD2 3.48Å
19A97.9Very high96.6Very high14 Ų1430.7 Ų30.712%0.11617%0.17CC..Hα-helixtrans-67.7-43.3177.400000111.9G16 K17 Q23 I30 P153G16-A19 PolarHBondContact O-N 2.71Å; G16-A19 VanDerWaalsContact O-N 3.14Å; K17-A19 VanDerWaalsContact C-N 3.27Å; K17-A19 PolarHBondContact O-N 3.3Å; A19-Q23 WeakPolarHBondContact O-CB 3.32Å; A19-Q23 PolarHBondContact O-N 2.71Å; A19-Q23 VanDerWaalsContact O-N 3.07Å; A19-I30 HydrophobicContact CB-CD1 4.27Å; A19-I30 HydrophobicContact CB-CG1 3.92Å; A19-P153 HydrophobicContact CB-CB 3.8Å; A19-P153 HydrophobicContact CB-CG 4.08Å
20I98.2Very high96.6Very high2 Ų232.3 Ų32.31%0.0118%0.178CC..Hα-helixtrans-60.6-47.7175-65.8164.7000110G16 K17 Q23 F24 V84 L118 V151 P153 V159 F163G16-I20 WeakPolarHBondContact O-CG1 3.3Å; G16-I20 PolarHBondContact O-N 2.74Å; K17-I20 PolarHBondContact O-N 3.46Å; I20-Q23 PolarHBondContact O-N 2.94Å; I20-F24 WeakPolarHBondContact O-CB 3.5Å; I20-F24 PolarHBondContact O-N 3.39Å; I20-V84 HydrophobicContact CD1-CG1 3.58Å; I20-V84 HydrophobicContact CD1-CG2 4.24Å; I20-L118 HydrophobicContact CD1-CD1 4.46Å; I20-L118 HydrophobicContact CG2-CD1 4.24Å; I20-V151 HydrophobicContact CD1-CG2 3.75Å; I20-V151 HydrophobicContact CG1-CG2 4.29Å; I20-P153 HydrophobicContact CG1-CB 4.44Å; I20-P153 HydrophobicContact CG1-CG 3.81Å; I20-V159 HydrophobicContact CB-CG1 4.46Å; I20-V159 HydrophobicContact CG1-CG1 4.46Å; I20-V159 HydrophobicContact CG2-CB 4.24Å; I20-V159 HydrophobicContact CG2-CG1 4.04Å; I20-F163 HydrophobicContact CG2-CE2 4.42Å
21L97.9Very high96.4Very high1 Ų135.3 Ų35.31%0.00520%0.198CC..Hα-helixtrans-67.9-44.4-177.1-68.9178.4000112.6V9 K17 T18 Q23 F24 A25 Y43 L58 D60 F163V9-L21 HydrophobicContact CB-CD1 4.13Å; V9-L21 HydrophobicContact CG1-CD1 4.37Å; V9-L21 HydrophobicContact CG2-CD1 3.99Å; V9-L21 HydrophobicContact CG2-CD2 3.93Å; V9-L21 HydrophobicContact CG2-CG 4.39Å; K17-L21 WeakPolarHBondContact O-CG 3.45Å; K17-L21 PolarHBondContact O-N 3.03Å; T18-L21 PolarHBondContact O-N 2.95Å; L21-Q23 VanDerWaalsContact C-N 3.32Å; L21-Q23 PolarHBondContact O-N 3.27Å; L21-F24 PolarHBondContact O-N 3.28Å; L21-A25 VanDerWaalsContact O-CB 3.22Å; L21-A25 WeakPolarHBondContact O-CB 3.36Å; L21-A25 PolarHBondContact O-N 2.94Å; L21-Y43 HydrophobicContact CB-CD2 4.07Å; L21-Y43 HydrophobicContact CB-CE2 3.85Å; L21-Y43 HydrophobicContact CD1-CD2 4.37Å; L21-Y43 HydrophobicContact CD1-CE2 4.27Å; L21-L58 HydrophobicContact CD2-CB 3.9Å; L21-L58 HydrophobicContact CD2-CD1 3.81Å; L21-L58 HydrophobicContact CD2-CD2 4.28Å; L21-L58 HydrophobicContact CD2-CG 4.22Å; L21-D60 HydrophobicContact CD1-CB 3.48Å; L21-D60 VanDerWaalsContact CD1-CB 3.48Å; L21-F163 HydrophobicContact CD2-CZ 4.21Å
22S96.7Very high96.2Very high6 Ų641.6 Ų41.64%0.04224%0.237CC..Hα-helixtrans-61.6-41.1176.6-170.40000111.4T18 C26 G27 Q28T18-S22 WeakPolarHBondContact O-CB 3.05Å; T18-S22 PolarHBondContact O-N 3.49Å; S22-C26 CarbonylContact O-C 3.59Å; S22-C26 WeakPolarHBondContact O-CA 3.33Å; S22-C26 VanDerWaalsContact O-CB 3.23Å; S22-C26 WeakPolarHBondContact O-CB 3.33Å; S22-C26 PolarHBondContact O-N 3.08Å; S22-G27 PolarHBondContact O-N 2.8Å; S22-Q28 CarbonylContact C-O 3.58Å; S22-Q28 PolarHBondContact O-N 2.85Å; S22-Q28 PolarHBondContact OG-O 3.35Å
23Q96.9Very high96.2Very high16 Ų1646.7 Ų46.78%0.07526%0.257CS..Hα-helixtrans-65.7-50.3175.1-178.372.1-49.500111.4A19 I20 L21 G27 Q28 P153 R154 L156 V159A19-Q23 WeakPolarHBondContact O-CB 3.32Å; A19-Q23 PolarHBondContact O-N 2.71Å; A19-Q23 VanDerWaalsContact O-N 3.07Å; I20-Q23 PolarHBondContact O-N 2.94Å; L21-Q23 VanDerWaalsContact C-N 3.32Å; L21-Q23 PolarHBondContact O-N 3.27Å; Q23-G27 WeakPolarHBondContact O-CA 3.34Å; Q23-G27 PolarHBondContact O-N 2.99Å; Q23-Q28 WeakPolarHBondContact CA-O 3.33Å; Q23-Q28 PolarHBondContact N-O 3.23Å; Q23-P153 VanDerWaalsContact CB-O 3.27Å; Q23-P153 WeakPolarHBondContact CB-O 3.44Å; Q23-P153 WeakPolarHBondContact CG-O 3.39Å; Q23-P153 PolarHBondContact NE2-O 2.77Å; Q23-R154 PolarHBondContact NE2-O 3.23Å; Q23-L156 HydrophobicContact CG-CB 4.41Å; Q23-L156 HydrophobicContact CG-CD1 4.36Å; Q23-L156 WeakPolarHBondContact O-CD1 3.19Å; Q23-V159 HydrophobicContact CB-CG2 4.1Å; Q23-V159 HydrophobicContact CG-CG2 3.63Å
24F96.6Very high96.2Very high6 Ų645.4 Ų45.43%0.02626%0.264CS..Hα-helixtrans-66.7-47-175.8175.7-110.5000112.7I20 L21 V45 L56 L58 V159 A160 F163 F178 L180I20-F24 WeakPolarHBondContact O-CB 3.5Å; I20-F24 PolarHBondContact O-N 3.39Å; L21-F24 PolarHBondContact O-N 3.28Å; F24-V45 HydrophobicContact CD1-CG2 4.29Å; F24-V45 HydrophobicContact CE1-CB 4.36Å; F24-V45 HydrophobicContact CE1-CG1 4.21Å; F24-V45 HydrophobicContact CE1-CG2 3.98Å; F24-V45 HydrophobicContact CZ-CG1 4.32Å; F24-L56 HydrophobicContact CE1-CD2 4.25Å; F24-L58 HydrophobicContact CD1-CD1 3.65Å; F24-L58 HydrophobicContact CE1-CD1 3.93Å; F24-V159 HydrophobicContact CB-CB 4.44Å; F24-V159 HydrophobicContact CB-CG2 4Å; F24-A160 HydrophobicContact CD2-CB 4.13Å; F24-A160 HydrophobicContact CE2-CB 4.15Å; F24-F163 HydrophobicContact CB-CD2 4.26Å; F24-F163 HydrophobicContact CB-CE2 3.87Å; F24-F163 HydrophobicContact CD1-CD1 4.16Å; F24-F163 AromaticContact CD1-CD2 3.54Å; F24-F163 HydrophobicContact CD1-CD2 3.54Å; F24-F163 HydrophobicContact CD1-CE1 4.14Å; F24-F163 AromaticContact CD1-CE2 3.55Å; F24-F163 HydrophobicContact CD1-CE2 3.55Å; F24-F163 AromaticContact CD1-CG 3.88Å; F24-F163 HydrophobicContact CD1-CG 3.88Å; F24-F163 AromaticContact CD1-CZ 3.86Å; F24-F163 HydrophobicContact CD1-CZ 3.86Å; F24-F163 HydrophobicContact CD2-CB 4.44Å; F24-F163 AromaticContact CD2-CD2 3.46Å; F24-F163 HydrophobicContact CD2-CD2 3.46Å; F24-F163 VanDerWaalsContact CD2-CD2 3.46Å; F24-F163 AromaticContact CD2-CE2 3.98Å; F24-F163 HydrophobicContact CD2-CE2 3.98Å; F24-F163 HydrophobicContact CD2-CG 4.15Å; F24-F163 HydrophobicContact CE1-CB 3.92Å; F24-F163 AromaticContact CE1-CD1 3.75Å; F24-F163 HydrophobicContact CE1-CD1 3.75Å; F24-F163 AromaticContact CE1-CD2 3.64Å; F24-F163 HydrophobicContact CE1-CD2 3.64Å; F24-F163 HydrophobicContact CE1-CE1 4.14Å; F24-F163 HydrophobicContact CE1-CE2 4.07Å; F24-F163 AromaticContact CE1-CG 3.48Å; F24-F163 HydrophobicContact CE1-CG 3.48Å; F24-F163 VanDerWaalsContact CE1-CG 3.48Å; F24-F163 HydrophobicContact CE1-CZ 4.3Å; F24-F163 HydrophobicContact CE2-CB 3.65Å; F24-F163 AromaticContact CE2-CD2 3.56Å; F24-F163 HydrophobicContact CE2-CD2 3.56Å; F24-F163 HydrophobicContact CE2-CE2 4.45Å; F24-F163 AromaticContact CE2-CG 3.79Å; F24-F163 HydrophobicContact CE2-CG 3.79Å; F24-F163 AromaticContact CG-CD2 3.45Å; F24-F163 HydrophobicContact CG-CD2 3.45Å; F24-F163 VanDerWaalsContact CG-CD2 3.45Å; F24-F163 AromaticContact CG-CE2 3.5Å; F24-F163 HydrophobicContact CG-CE2 3.5Å; F24-F163 VanDerWaalsContact CG-CE2 3.5Å; F24-F163 HydrophobicContact CG-CG 4.19Å; F24-F163 HydrophobicContact CG-CZ 4.24Å; F24-F163 HydrophobicContact CZ-CB 3.35Å; F24-F163 HydrophobicContact CZ-CD1 4.11Å; F24-F163 AromaticContact CZ-CD2 3.65Å; F24-F163 HydrophobicContact CZ-CD2 3.65Å; F24-F163 HydrophobicContact CZ-CE2 4.49Å; F24-F163 AromaticContact CZ-CG 3.44Å; F24-F163 HydrophobicContact CZ-CG 3.44Å; F24-F163 VanDerWaalsContact CZ-CG 3.44Å; F24-F178 HydrophobicContact CE2-CD2 4.15Å; F24-F178 HydrophobicContact CE2-CE2 4.35Å; F24-F178 HydrophobicContact CE2-CG 4.23Å; F24-F178 AromaticContact CZ-CD1 3.78Å; F24-F178 HydrophobicContact CZ-CD1 3.78Å; F24-F178 HydrophobicContact CZ-CD2 4.16Å; F24-F178 AromaticContact CZ-CE1 3.82Å; F24-F178 HydrophobicContact CZ-CE1 3.82Å; F24-F178 HydrophobicContact CZ-CE2 4.22Å; F24-F178 AromaticContact CZ-CG 3.93Å; F24-F178 HydrophobicContact CZ-CG 3.93Å; F24-F178 HydrophobicContact CZ-CZ 4.05Å; F24-L180 VanDerWaalsContact O-CD2 3.27Å; F24-L180 WeakPolarHBondContact O-CD2 3.31Å
25A95.4Very high96.2Very high1 Ų144.3 Ų44.31%0.00826%0.257CS..Hα-helixtrans-84.7-30.8-17400000113.1L21 Y43 V45 L58 L180 P181L21-A25 VanDerWaalsContact O-CB 3.22Å; L21-A25 WeakPolarHBondContact O-CB 3.36Å; L21-A25 PolarHBondContact O-N 2.94Å; A25-Y43 HydrophobicContact CB-CD1 3.71Å; A25-Y43 HydrophobicContact CB-CG 3.86Å; A25-V45 HydrophobicContact CB-CG2 3.62Å; A25-L58 HydrophobicContact CB-CD1 4.17Å; A25-L180 WeakPolarHBondContact O-CD2 3.31Å; A25-P181 WeakPolarHBondContact O-CD 3.38Å
26C94Very high96.1Very high64 Ų6450.8 Ų50.843%0.43229%0.29SS..Hα-helixtrans-119.4-5.8-172.9-53.90000113.9S22 Q28S22-C26 CarbonylContact O-C 3.59Å; S22-C26 WeakPolarHBondContact O-CA 3.33Å; S22-C26 VanDerWaalsContact O-CB 3.23Å; S22-C26 WeakPolarHBondContact O-CB 3.33Å; S22-C26 PolarHBondContact O-N 3.08Å; C26-Q28 HydrophobicContact CB-CB 4.24Å; C26-Q28 PolarHBondContact O-N 2.85Å
27G94Very high96Very high38 Ų3854.1 Ų54.139%0.39231%0.308SS..  trans63.627.8-173.200000112.7S22 Q23S22-G27 PolarHBondContact O-N 2.8Å; Q23-G27 WeakPolarHBondContact O-CA 3.34Å; Q23-G27 PolarHBondContact O-N 2.99Å
28Q94.8Very high95.9Very high80 Ų8055 Ų5537%0.37432%0.315SS..  trans-111.4115.5-174.4-174.5176.715.900111.6S22 Q23 C26 I30S22-Q28 CarbonylContact C-O 3.58Å; S22-Q28 PolarHBondContact O-N 2.85Å; S22-Q28 PolarHBondContact OG-O 3.35Å; Q23-Q28 WeakPolarHBondContact CA-O 3.33Å; Q23-Q28 PolarHBondContact N-O 3.23Å; C26-Q28 HydrophobicContact CB-CB 4.24Å; C26-Q28 PolarHBondContact O-N 2.85Å; Q28-I30 HydrophobicContact CG-CG2 3.74Å
29D94.8Very high95.7Very high65 Ų6559.8 Ų59.835%0.34834%0.344SS..  trans-76.1121.5165.4-174.8-2.4000109.9C31D29-C31 VanDerWaalsContact OD1-CB 3.25Å; D29-C31 WeakPolarHBondContact OD1-CB 3.41Å; D29-C31 PolarHBondContact OD1-N 3.24Å
30I96Very high95.4Very high36 Ų3661.5 Ų61.519%0.18536%0.362CS..  trans-118.58.2176.365.5169.1000112.9T18 A19 Q28 T32 K33T18-I30 HydrophobicContact CG2-CD1 4.01Å; A19-I30 HydrophobicContact CB-CD1 4.27Å; A19-I30 HydrophobicContact CB-CG1 3.92Å; Q28-I30 HydrophobicContact CG-CG2 3.74Å; I30-T32 PolarHBondContact O-N 2.99Å; I30-T32 VanDerWaalsContact O-N 3.15Å; I30-K33 HydrophobicContact CB-CD 4.01Å; I30-K33 HydrophobicContact CB-CG 4.34Å; I30-K33 HydrophobicContact CG2-CD 3.96Å; I30-K33 WeakPolarHBondContact O-CB 3.47Å; I30-K33 PolarHBondContact O-N 3.45Å
31C94.5Very high95.2Very high63 Ų6365.9 Ų65.943%0.42639%0.386SS..THydrogen-bonded Turntrans-63.3-22-175.5-72.60000113.7D29 R154D29-C31 VanDerWaalsContact OD1-CB 3.25Å; D29-C31 WeakPolarHBondContact OD1-CB 3.41Å; D29-C31 PolarHBondContact OD1-N 3.24Å; C31-R154 HydrophobicContact CB-CG 4.11Å
32T94.3Very high95.1Very high132 Ų13269.2 Ų69.281%0.8141%0.409SS*.THydrogen-bonded Turntrans-92.1-6.8176.657.90000113.4I30I30-T32 PolarHBondContact O-N 2.99Å; I30-T32 VanDerWaalsContact O-N 3.15Å
33K95.5Very high95.1Very high112 Ų11270.5 Ų70.549%0.48741%0.413SS..SBendtrans-81.6152.5179.4-62.9-172178-177.70111.1I30I30-K33 HydrophobicContact CB-CD 4.01Å; I30-K33 HydrophobicContact CB-CG 4.34Å; I30-K33 HydrophobicContact CG2-CD 3.96Å; I30-K33 WeakPolarHBondContact O-CB 3.47Å; I30-K33 PolarHBondContact O-N 3.45Å
34P95.8Very high94.9Very high118 Ų11873.9 Ų73.977%0.76643%0.431SS*.PPolyproline II helixtrans-55141.8171.3-24.834.5000112I36P34-I36 PolarHBondContact O-N 3.3Å
35Y95.3Very high94.8Very high111 Ų11173.6 Ų73.644%0.43543%0.43SS..PPolyproline II helixtrans-68.3124.3177.3172.2-104.9000111.2K14 P37K14-Y35 HydrophobicContact CB-CE2 4.46Å; K14-Y35 HydrophobicContact CD-CD1 4.32Å; K14-Y35 HydrophobicContact CD-CE1 4.29Å; K14-Y35 VanDerWaalsContact CE-CD1 3.42Å; K14-Y35 HydrophobicContact CG-CD1 4.08Å; K14-Y35 HydrophobicContact CG-CD2 3.94Å; K14-Y35 HydrophobicContact CG-CE1 3.78Å; K14-Y35 HydrophobicContact CG-CE2 3.65Å; K14-Y35 HydrophobicContact CG-CG 4.14Å; Y35-P37 HydrophobicContact CD1-CG 4.48Å; Y35-P37 HydrophobicContact CE1-CB 4.34Å; Y35-P37 HydrophobicContact CE1-CG 3.77Å
36I95.6Very high94.6Very high138 Ų13877.6 Ų77.671%0.70845%0.448SS*.  trans-115.5122.7171.4-58.7175.7000107.4P34 T38P34-I36 PolarHBondContact O-N 3.3Å; I36-T38 PolarHBondContact O-N 2.93Å
37P95.9Very high94.2Very high86 Ų8674.5 Ų74.556%0.55843%0.427SS*.  trans-59.7128.4174.2-20.730.6000112Y35Y35-P37 HydrophobicContact CD1-CG 4.48Å; Y35-P37 HydrophobicContact CE1-CB 4.34Å; Y35-P37 HydrophobicContact CE1-CG 3.77Å
38T95.9Very high93.7Very high30 Ų3074.6 Ų74.618%0.18442%0.419CS..  trans-68.9129175-42.40000110.4T18 I36 D60 P62T18-T38 PolarHBondContact OG1-OG1 3.38Å; I36-T38 PolarHBondContact O-N 2.93Å; T38-D60 HydrophobicContact CG2-CB 4.37Å; T38-P62 WeakPolarHBondContact O-CA 3.4Å; T38-P62 WeakPolarHBondContact O-CB 3.48Å
39V93.4Very high92.7Very high137 Ų13771.4 Ų71.483%0.8340%0.404SS*.  trans-87.7-36.7169.9179.40000110.8P62V39-P62 WeakPolarHBondContact O-CD 3.42Å; V39-P62 WeakPolarHBondContact O-CG 3.33Å
40G92.6Very high91.6Very high49 Ų4975.2 Ų75.251%0.50542%0.424SS..  trans152.5134.4179.500000108.6D60G40-D60 WeakPolarHBondContact CA-O 3.43Å
41D94.1Very high90.6Very high94 Ų9483.9 Ų83.950%0.50346%0.461SS..EExtended strand (participates in β ladder)trans-149.6166177.9-153-14000110.8D60D41-D60 HydrophobicContact CB-CB 4.24Å; D41-D60 PolarHBondContact N-O 2.89Å; D41-D60 PolarHBondContact O-N 2.92Å
42S94.9Very high89.7Confident71 Ų7184 Ų8450%0.49746%0.459SS..EExtended strand (participates in β ladder)trans-136.1132.8174.967.50000112L58S42-L58 CarbonylContact C-O 3.54Å; S42-L58 VanDerWaalsContact CA-O 3.26Å; S42-L58 WeakPolarHBondContact CA-O 3.45Å
43Y95.9Very high89.2Confident34 Ų3486.3 Ų86.313%0.13345%0.453CS..EExtended strand (participates in β ladder)trans-109.9141172.2-54.5-100.5000109.6L21 A25 I57 L58 D60L21-Y43 HydrophobicContact CB-CD2 4.07Å; L21-Y43 HydrophobicContact CB-CE2 3.85Å; L21-Y43 HydrophobicContact CD1-CD2 4.37Å; L21-Y43 HydrophobicContact CD1-CE2 4.27Å; A25-Y43 HydrophobicContact CB-CD1 3.71Å; A25-Y43 HydrophobicContact CB-CG 3.86Å; Y43-I57 WeakPolarHBondContact O-CA 3.44Å; Y43-L58 PolarHBondContact N-O 3.38Å; Y43-L58 PolarHBondContact O-N 3.03Å; Y43-D60 HydrophobicContact CE2-CB 4.13Å
44I94.5Very high88.9Confident86 Ų8681.7 Ų81.744%0.44143%0.434SS..EExtended strand (participates in β ladder)trans-111.1122.2173.2-60.1176.6000108.4Y55 L56 P181I44-Y55 HydrophobicContact CG2-CD2 4.15Å; I44-Y55 HydrophobicContact CG2-CG 4.46Å; I44-L56 WeakPolarHBondContact CA-O 3.48Å; I44-P181 VanDerWaalsContact O-CG 3.23Å; I44-P181 WeakPolarHBondContact O-CG 3.5Å
45V93.1Very high88.7Confident1 Ų179.4 Ų79.41%0.00641%0.411CS..EExtended strand (participates in β ladder)trans-117.5123.5176.7-175.20000108.9F24 A25 Y55 L56 L58 F178F24-V45 HydrophobicContact CD1-CG2 4.29Å; F24-V45 HydrophobicContact CE1-CB 4.36Å; F24-V45 HydrophobicContact CE1-CG1 4.21Å; F24-V45 HydrophobicContact CE1-CG2 3.98Å; F24-V45 HydrophobicContact CZ-CG1 4.32Å; A25-V45 HydrophobicContact CB-CG2 3.62Å; V45-Y55 CarbonylContact O-C 3.55Å; V45-Y55 WeakPolarHBondContact O-CA 3.32Å; V45-L56 HydrophobicContact CB-CB 4.44Å; V45-L56 PolarHBondContact N-O 2.74Å; V45-L56 PolarHBondContact O-N 3.46Å; V45-L58 HydrophobicContact CG2-CD1 3.79Å; V45-F178 HydrophobicContact CG1-CB 4.11Å; V45-F178 HydrophobicContact CG1-CD1 3.81Å; V45-F178 HydrophobicContact CG1-CG 4.37Å
46H91Very high88.6Confident84 Ų8474.2 Ų74.239%0.38939%0.39SS..EExtended strand (participates in β ladder)trans-76.4136.3176.7-69.8-71.5000110.9F178 S179H46-F178 WeakPolarHBondContact O-CA 3.24Å; H46-S179 WeakPolarHBondContact CB-OG 3.49Å; H46-S179 PolarHBondContact O-N 2.98Å; H46-S179 VanDerWaalsContact O-N 3.08Å
47I87.1Confident88.6Confident0 Ų069.2 Ų69.20%037%0.365CS..EExtended strand (participates in β ladder)trans-111.4109.1177.4-54.9170.9000107.3L5 D54 L56 V167 F171 F178L5-I47 HydrophobicContact CD1-CD1 4.09Å; I47-D54 PolarHBondContact N-O 3.48Å; I47-D54 PolarHBondContact O-N 3.47Å; I47-L56 HydrophobicContact CD1-CB 3.98Å; I47-L56 HydrophobicContact CG1-CB 4.44Å; I47-V167 HydrophobicContact CD1-CG1 4.42Å; I47-V167 HydrophobicContact CD1-CG2 3.54Å; I47-V167 HydrophobicContact CG1-CG2 4.26Å; I47-V167 HydrophobicContact CG2-CG1 3.52Å; I47-V167 HydrophobicContact CG2-CG2 4.39Å; I47-F171 HydrophobicContact CD1-CE2 4.07Å; I47-F171 HydrophobicContact CG2-CE2 4.23Å; I47-F178 HydrophobicContact CD1-CE1 4.23Å; I47-F178 HydrophobicContact CG1-CD1 3.93Å; I47-F178 HydrophobicContact CG1-CE1 3.76Å
48D82.8Confident88.7Confident40 Ų4065.1 Ų65.121%0.21434%0.338CS..EExtended strand (participates in β ladder)trans-89.3111.2169-66.7-55.2000108.2R53 R177D48-R53 WeakPolarHBondContact OD1-CD 3.49Å; D48-R53 VanDerWaalsContact OD1-CG 3.3Å; D48-R53 WeakPolarHBondContact OD1-CG 3.41Å; D48-R53 IonicContact OD1-NE 3.4Å; D48-R53 PolarHBondContact OD1-NE 2.99Å; D48-R177 PolarHBondContact N-O 3.33Å; D48-R177 PolarHBondContact O-N 3.34Å
49H73.2Confident88.8Confident13 Ų1367 Ų676%0.0635%0.346CS..EExtended strand (participates in β ladder)trans-138.7135.7170.372.397.5000109.5K51 T52 D54 F171 A173H49-K51 PolarHBondContact O-N 3.26Å; H49-T52 PolarHBondContact CE1-OG1 2.94Å; H49-T52 PolarHBondContact N-O 2.95Å; H49-T52 PolarHBondContact NE2-OG1 3.18Å; H49-T52 PolarHBondContact O-N 3.43Å; H49-T52 PolarHBondContact O-OG1 3.22Å; H49-D54 IonicContact CD2-OD2 2.88Å; H49-D54 IonicContact CE1-OD2 3.17Å; H49-D54 IonicContact NE2-OD2 3.55Å; H49-D54 PolarHBondContact NE2-OD2 3.35Å; H49-F171 AromaticContact CE1-CD1 3.3Å; H49-F171 WeakPolarHBondContact CE1-CD1 3.06Å; H49-F171 AromaticContact CE1-CE1 3.78Å; H49-F171 AromaticContact CE1-CG 3.54Å; H49-F171 AromaticContact ND1-CG 3.94Å; H49-F171 AromaticContact NE2-CD1 3.36Å; H49-F171 WeakPolarHBondContact NE2-CD1 3.23Å; H49-F171 AromaticContact NE2-CD2 3.89Å; H49-F171 AromaticContact NE2-CE1 3.37Å; H49-F171 WeakPolarHBondContact NE2-CE1 3.48Å; H49-F171 AromaticContact NE2-CE2 3.89Å; H49-F171 AromaticContact NE2-CG 3.63Å; H49-F171 AromaticContact NE2-CZ 3.63Å; H49-A173 HydrophobicContact CB-CB 4.29Å
50D72.6Confident89Confident145 Ų14560.8 Ų60.878%0.77531%0.307SS*.THydrogen-bonded Turntrans48.1-120.6-171.7-61.4-29000113.6
51K75.1Confident89.2Confident217 Ų21758.9 Ų58.994%0.94329%0.286SS*.THydrogen-bonded Turntrans-103.98.8177.2-63.3-177.7-178.9177.40112.3H49H49-K51 PolarHBondContact O-N 3.26Å
52T75.6Confident89.3Confident65 Ų6556.7 Ų56.740%0.39928%0.277SS..EExtended strand (participates in β ladder)trans-110.7143.5-175.541.50000111.3H49H49-T52 PolarHBondContact CE1-OG1 2.94Å; H49-T52 PolarHBondContact N-O 2.95Å; H49-T52 PolarHBondContact NE2-OG1 3.18Å; H49-T52 PolarHBondContact O-N 3.43Å; H49-T52 PolarHBondContact O-OG1 3.22Å
53R83.5Confident89.3Confident182 Ų18254.1 Ų54.169%0.68726%0.261SS*.EExtended strand (participates in β ladder)trans-114.997.6171.4-70.6-162.6173.3147.56.3108.7G2 D48G2-R53 WeakPolarHBondContact CA-O 3.31Å; D48-R53 WeakPolarHBondContact OD1-CD 3.49Å; D48-R53 VanDerWaalsContact OD1-CG 3.3Å; D48-R53 WeakPolarHBondContact OD1-CG 3.41Å; D48-R53 IonicContact OD1-NE 3.4Å; D48-R53 PolarHBondContact OD1-NE 2.99Å
54D89.3Confident89.3Confident14 Ų1453.7 Ų53.78%0.07526%0.262CS..EExtended strand (participates in β ladder)trans-94.5176.8172.4-67.1-32.6000109.6G2 R3 I47 H49 F171G2-D54 WeakPolarHBondContact CA-OD1 3.42Å; R3-D54 PolarHBondContact N-OD1 3.48Å; R3-D54 WeakPolarHBondContact O-CB 3.13Å; I47-D54 PolarHBondContact N-O 3.48Å; I47-D54 PolarHBondContact O-N 3.47Å; H49-D54 IonicContact CD2-OD2 2.88Å; H49-D54 IonicContact CE1-OD2 3.17Å; H49-D54 IonicContact NE2-OD2 3.55Å; H49-D54 PolarHBondContact NE2-OD2 3.35Å; D54-F171 HydrophobicContact CB-CE1 4.3Å; D54-F171 HydrophobicContact CB-CZ 3.72Å; D54-F171 WeakPolarHBondContact OD2-CE1 3.44Å; D54-F171 WeakPolarHBondContact OD2-CZ 3.17Å
55Y91.7Very high89Confident71 Ų7154.1 Ų54.128%0.27827%0.265SS..EExtended strand (participates in β ladder)trans-147.2140.8179.558-84000111.8G2 R3 P4 L5 I44 V45 I57G2-Y55 WeakPolarHBondContact O-CE1 3.3Å; R3-Y55 PolarHBondContact O-N 2.92Å; P4-Y55 HydrophobicContact CB-CD2 4.3Å; P4-Y55 HydrophobicContact CB-CE1 4.44Å; P4-Y55 HydrophobicContact CB-CE2 3.53Å; L5-Y55 PolarHBondContact N-O 2.8Å; I44-Y55 HydrophobicContact CG2-CD2 4.15Å; I44-Y55 HydrophobicContact CG2-CG 4.46Å; V45-Y55 CarbonylContact O-C 3.55Å; V45-Y55 WeakPolarHBondContact O-CA 3.32Å; Y55-I57 HydrophobicContact CD2-CD1 4.47Å; Y55-I57 HydrophobicContact CD2-CG1 3.96Å; Y55-I57 HydrophobicContact CE2-CD1 3.99Å; Y55-I57 HydrophobicContact CE2-CG1 3.98Å
56L93.5Very high88.6Confident1 Ų154.3 Ų54.31%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-96.6120.5175.7-171.763.3000108.9L5 A7 F24 I44 V45 I47 L58 F80 F163L5-L56 HydrophobicContact CB-CD1 3.77Å; L5-L56 CarbonylContact O-C 3.57Å; L5-L56 WeakPolarHBondContact O-CA 3.27Å; L5-L56 WeakPolarHBondContact O-CD1 3.37Å; A7-L56 HydrophobicContact CB-CD1 4.05Å; F24-L56 HydrophobicContact CE1-CD2 4.25Å; I44-L56 WeakPolarHBondContact CA-O 3.48Å; V45-L56 HydrophobicContact CB-CB 4.44Å; V45-L56 PolarHBondContact N-O 2.74Å; V45-L56 PolarHBondContact O-N 3.46Å; I47-L56 HydrophobicContact CD1-CB 3.98Å; I47-L56 HydrophobicContact CG1-CB 4.44Å; L56-L58 HydrophobicContact CD1-CD2 4.43Å; L56-L58 HydrophobicContact CD2-CD2 3.43Å; L56-L58 VanDerWaalsContact CD2-CD2 3.43Å; L56-L58 HydrophobicContact CD2-CG 4.17Å; L56-L58 HydrophobicContact CG-CD2 3.61Å; L56-L58 HydrophobicContact CG-CG 4.1Å; L56-F80 HydrophobicContact CD1-CD2 4.18Å; L56-F80 HydrophobicContact CD1-CE2 4.39Å; L56-F163 HydrophobicContact CD2-CD1 3.77Å; L56-F163 HydrophobicContact CD2-CE1 4.33Å
57I95.8Very high88.5Confident34 Ų3455.2 Ų55.217%0.17428%0.279CS..EExtended strand (participates in β ladder)trans-91.8111.4168.5-54.2172.3000107P4 L5 R6 A7 Y43 Y55 M59P4-I57 HydrophobicContact CB-CD1 4.01Å; L5-I57 PolarHBondContact O-N 2.75Å; R6-I57 HydrophobicContact CG-CB 4.4Å; R6-I57 HydrophobicContact CG-CD1 4.23Å; A7-I57 PolarHBondContact N-O 3.28Å; Y43-I57 WeakPolarHBondContact O-CA 3.44Å; Y55-I57 HydrophobicContact CD2-CD1 4.47Å; Y55-I57 HydrophobicContact CD2-CG1 3.96Å; Y55-I57 HydrophobicContact CE2-CD1 3.99Å; Y55-I57 HydrophobicContact CE2-CG1 3.98Å; I57-M59 HydrophobicContact CG2-CG 4.34Å
58L97.2Very high88.5Confident0 Ų057.8 Ų57.80%029%0.291CS..EExtended strand (participates in β ladder)trans-97.4112.3177-57170.6000108.6A7 L21 F24 A25 S42 Y43 V45 L56 F163A7-L58 HydrophobicContact CB-CD2 3.84Å; L21-L58 HydrophobicContact CD2-CB 3.9Å; L21-L58 HydrophobicContact CD2-CD1 3.81Å; L21-L58 HydrophobicContact CD2-CD2 4.28Å; L21-L58 HydrophobicContact CD2-CG 4.22Å; F24-L58 HydrophobicContact CD1-CD1 3.65Å; F24-L58 HydrophobicContact CE1-CD1 3.93Å; A25-L58 HydrophobicContact CB-CD1 4.17Å; S42-L58 CarbonylContact C-O 3.54Å; S42-L58 VanDerWaalsContact CA-O 3.26Å; S42-L58 WeakPolarHBondContact CA-O 3.45Å; Y43-L58 PolarHBondContact N-O 3.38Å; Y43-L58 PolarHBondContact O-N 3.03Å; V45-L58 HydrophobicContact CG2-CD1 3.79Å; L56-L58 HydrophobicContact CD1-CD2 4.43Å; L56-L58 HydrophobicContact CD2-CD2 3.43Å; L56-L58 VanDerWaalsContact CD2-CD2 3.43Å; L56-L58 HydrophobicContact CD2-CG 4.17Å; L56-L58 HydrophobicContact CG-CD2 3.61Å; L56-L58 HydrophobicContact CG-CG 4.1Å; L58-F163 HydrophobicContact CD2-CD1 4.13Å; L58-F163 HydrophobicContact CD2-CE1 3.48Å; L58-F163 VanDerWaalsContact CD2-CE1 3.48Å; L58-F163 HydrophobicContact CD2-CZ 4.28Å
59M97.6Very high88.7Confident70 Ų7066.1 Ų66.135%0.34533%0.325SS..EExtended strand (participates in β ladder)trans-92.2111177.6-57.9-176.873.500109.5A7 I8 V9 I57A7-M59 PolarHBondContact O-N 2.98Å; I8-M59 HydrophobicContact CD1-SD 4.08Å; I8-M59 HydrophobicContact CG1-CB 4.42Å; I8-M59 HydrophobicContact CG1-CG 4.49Å; I8-M59 HydrophobicContact CG1-SD 3.93Å; V9-M59 WeakPolarHBondContact CB-O 3.33Å; V9-M59 PolarHBondContact N-O 3.24Å; I57-M59 HydrophobicContact CG2-CG 4.34Å
60D97.7Very high89.5Confident5 Ų569.1 Ų69.13%0.02735%0.347CS..EExtended strand (participates in β ladder)trans-86114.9174.8-166.39.6000109.3T18 L21 T38 G40 D41 Y43T18-D60 WeakPolarHBondContact CA-OD2 3.23Å; T18-D60 VanDerWaalsContact CB-OD2 3.26Å; T18-D60 WeakPolarHBondContact CB-OD2 3.33Å; T18-D60 WeakPolarHBondContact CG2-OD2 3.22Å; T18-D60 PolarHBondContact OG1-OD1 2.81Å; T18-D60 PolarHBondContact OG1-OD2 3.48Å; L21-D60 HydrophobicContact CD1-CB 3.48Å; L21-D60 VanDerWaalsContact CD1-CB 3.48Å; T38-D60 HydrophobicContact CG2-CB 4.37Å; G40-D60 WeakPolarHBondContact CA-O 3.43Å; D41-D60 HydrophobicContact CB-CB 4.24Å; D41-D60 PolarHBondContact N-O 2.89Å; D41-D60 PolarHBondContact O-N 2.92Å; Y43-D60 HydrophobicContact CE2-CB 4.13Å
61T97.1Very high90.4Very high9 Ų962.6 Ų62.66%0.05531%0.313CS..PPolyproline II helixtrans-96.2158.9-177.876.80000111.5I8 V9 V10 K17 L74I8-T61 HydrophobicContact CG2-CG2 4.12Å; V9-T61 WeakPolarHBondContact O-CG2 3.2Å; V9-T61 PolarHBondContact O-N 2.94Å; V9-T61 PolarHBondContact O-OG1 3.05Å; V10-T61 HydrophobicContact CG1-CG2 3.97Å; K17-T61 WeakPolarHBondContact CE-O 3.36Å; T61-L74 HydrophobicContact CG2-CD1 4.46Å; T61-L74 HydrophobicContact CG2-CD2 4.28Å
62P96.5Very high91.3Very high49 Ų4955 Ų5532%0.31828%0.279SS..PPolyproline II helixtrans-50.6162.9161.1-27.936.4000112.9K17 T38 V39 L64K17-P62 PolarHBondContact NZ-O 3.03Å; T38-P62 WeakPolarHBondContact O-CA 3.4Å; T38-P62 WeakPolarHBondContact O-CB 3.48Å; V39-P62 WeakPolarHBondContact O-CD 3.42Å; V39-P62 WeakPolarHBondContact O-CG 3.33Å; P62-L64 PolarHBondContact O-N 2.92Å
63G95.5Very high92.1Very high16 Ų1655.5 Ų55.517%0.16529%0.286CS..PPolyproline II helixtrans-67.4120.5168.400000111.2G11G11-G63 WeakPolarHBondContact O-CA 2.94Å
64L94.6Very high92.6Very high26 Ų2649.6 Ų49.614%0.13627%0.267CS..  trans-105.4155.9-177.5-58.2-177.9000110.8V10 G11 G12 P62 E68 L71 L74 F95V10-L64 HydrophobicContact CB-CD1 4.17Å; V10-L64 HydrophobicContact CG1-CD1 3.78Å; G11-L64 PolarHBondContact O-N 3.25Å; G12-L64 WeakPolarHBondContact CA-O 3.43Å; P62-L64 PolarHBondContact O-N 2.92Å; L64-E68 WeakPolarHBondContact CA-OE1 3.33Å; L64-E68 VanDerWaalsContact CB-OE1 3.24Å; L64-E68 WeakPolarHBondContact CB-OE1 3.05Å; L64-E68 HydrophobicContact CD2-CG 4.27Å; L64-E68 WeakPolarHBondContact CD2-OE1 3.26Å; L64-L71 HydrophobicContact CD1-CD1 4.02Å; L64-L74 HydrophobicContact CD1-CD2 3.94Å; L64-F95 HydrophobicContact CB-CE2 3.79Å
65D89.1Confident92.9Very high94 Ų9449 Ų4950%0.50326%0.264SS..  trans-100.5-9.2169.263.430.6000113.1T67 E68 S98D65-T67 VanDerWaalsContact C-N 3.33Å; D65-T67 WeakPolarHBondContact OD1-CB 3.38Å; D65-T67 PolarHBondContact OD1-N 3.41Å; D65-T67 PolarHBondContact OD1-OG1 2.92Å; D65-E68 PolarHBondContact N-OE1 3.31Å; D65-S98 PolarHBondContact O-OG 2.89Å
66G84.3Confident92.9Very high6 Ų650.1 Ų50.16%0.06227%0.272CS..SBendtrans85.72.9176.400000113.5E68 S98G66-E68 WeakPolarHBondContact CA-OE2 3.4Å; G66-E68 PolarHBondContact N-OE2 3.12Å; G66-S98 VanDerWaalsContact CA-OG 3.32Å; G66-S98 WeakPolarHBondContact CA-OG 3.3Å
67T88.3Confident92.9Very high103 Ų10352.9 Ų52.963%0.63229%0.29SS*.  trans-96.1317570.60000113.1D65 K69D65-T67 VanDerWaalsContact C-N 3.33Å; D65-T67 WeakPolarHBondContact OD1-CB 3.38Å; D65-T67 PolarHBondContact OD1-N 3.41Å; D65-T67 PolarHBondContact OD1-OG1 2.92Å; T67-K69 PolarHBondContact O-N 3.37Å
68E88.7Confident92.9Very high53 Ų5351.4 Ų51.425%0.24828%0.283CS..  trans-62.7124-178.7-62.482.9175.500111.1L64 D65 G66 S70 L71L64-E68 WeakPolarHBondContact CA-OE1 3.33Å; L64-E68 VanDerWaalsContact CB-OE1 3.24Å; L64-E68 WeakPolarHBondContact CB-OE1 3.05Å; L64-E68 HydrophobicContact CD2-CG 4.27Å; L64-E68 WeakPolarHBondContact CD2-OE1 3.26Å; D65-E68 PolarHBondContact N-OE1 3.31Å; G66-E68 WeakPolarHBondContact CA-OE2 3.4Å; G66-E68 PolarHBondContact N-OE2 3.12Å; E68-S70 PolarHBondContact O-N 3.05Å; E68-L71 HydrophobicContact CB-CB 4.48Å; E68-L71 VanDerWaalsContact O-CB 3.23Å; E68-L71 WeakPolarHBondContact O-CB 3.08Å; E68-L71 PolarHBondContact O-N 3.3Å
69K87.2Confident92.7Very high216 Ų21653.5 Ų53.594%0.93929%0.294SS*.THydrogen-bonded Turntrans-55.6-30.2179.6-66.4-176.7179.81800113.2T67T67-K69 PolarHBondContact O-N 3.37Å
70S89.3Confident92.6Very high75 Ų7550.1 Ų50.152%0.52428%0.278SS..THydrogen-bonded Turntrans-90.75.3-179.455.70000113.8E68 K72 S73 L74E68-S70 PolarHBondContact O-N 3.05Å; S70-K72 VanDerWaalsContact C-N 3.3Å; S70-K72 PolarHBondContact O-N 2.98Å; S70-S73 WeakPolarHBondContact O-CB 3.44Å; S70-S73 PolarHBondContact O-N 2.87Å; S70-S73 VanDerWaalsContact O-N 3.09Å; S70-L74 PolarHBondContact O-N 2.95Å
71L92Very high92.5Very high9 Ų949.9 Ų49.95%0.04728%0.276CS..Hα-helixtrans-56.5-43.6-176.9-178.768.2000112L64 E68 S73 L74 L75 V99 C102L64-L71 HydrophobicContact CD1-CD1 4.02Å; E68-L71 HydrophobicContact CB-CB 4.48Å; E68-L71 VanDerWaalsContact O-CB 3.23Å; E68-L71 WeakPolarHBondContact O-CB 3.08Å; E68-L71 PolarHBondContact O-N 3.3Å; L71-S73 PolarHBondContact O-N 2.9Å; L71-L74 HydrophobicContact CD1-CD2 4.42Å; L71-L74 WeakPolarHBondContact O-CB 3.27Å; L71-L74 PolarHBondContact O-N 3.04Å; L71-L75 HydrophobicContact CD1-CD1 4.23Å; L71-L75 HydrophobicContact CD1-CG 4.31Å; L71-L75 HydrophobicContact CG-CD1 4.19Å; L71-L75 WeakPolarHBondContact O-CG 3.36Å; L71-L75 PolarHBondContact O-N 2.65Å; L71-V99 HydrophobicContact CD2-CB 4.12Å; L71-V99 HydrophobicContact CD2-CG1 3.42Å; L71-V99 VanDerWaalsContact CD2-CG1 3.42Å; L71-C102 HydrophobicContact CD2-CB 4.45Å
72K92Very high92.6Very high56 Ų5649.5 Ų49.524%0.24327%0.274CS..Hα-helixtrans-60.7-46.5176.6-174.8177.9-178.7173.70111.7S70 L74 L75 Q76 L106 E109S70-K72 VanDerWaalsContact C-N 3.3Å; S70-K72 PolarHBondContact O-N 2.98Å; K72-L74 VanDerWaalsContact C-N 3.31Å; K72-L74 PolarHBondContact O-N 2.88Å; K72-L75 PolarHBondContact O-N 3.27Å; K72-Q76 WeakPolarHBondContact O-CB 3.13Å; K72-Q76 PolarHBondContact O-N 3.17Å; K72-L106 HydrophobicContact CG-CD2 4.36Å; K72-E109 VanDerWaalsContact CE-OE2 3.26Å; K72-E109 WeakPolarHBondContact CE-OE2 3.26Å; K72-E109 IonicContact NZ-OE1 2.69Å; K72-E109 PolarHBondContact NZ-OE1 3.3Å; K72-E109 IonicContact NZ-OE2 2.68Å; K72-E109 PolarHBondContact NZ-OE2 3.03Å
73S93.1Very high92.7Very high77 Ų7747.1 Ų47.154%0.53826%0.259SS..Hα-helixtrans-62.9-37.7178-54.80000112.1S70 L71 L75 P77S70-S73 WeakPolarHBondContact O-CB 3.44Å; S70-S73 PolarHBondContact O-N 2.87Å; S70-S73 VanDerWaalsContact O-N 3.09Å; L71-S73 PolarHBondContact O-N 2.9Å; S73-L75 VanDerWaalsContact C-N 3.35Å; S73-P77 WeakPolarHBondContact O-CD 3.26Å
74L94.3Very high92.8Very high57 Ų5746.4 Ų46.430%0.29825%0.251SS..Hα-helixtrans-60.9-43.7173.5172.964.7000111.3I8 V10 T61 L64 S70 L71 K72 P77I8-L74 WeakPolarHBondContact CD1-O 3.41Å; I8-L74 HydrophobicContact CG2-CD1 4.38Å; I8-L74 HydrophobicContact CG2-CG 4.3Å; V10-L74 HydrophobicContact CG1-CD2 4.05Å; T61-L74 HydrophobicContact CG2-CD1 4.46Å; T61-L74 HydrophobicContact CG2-CD2 4.28Å; L64-L74 HydrophobicContact CD1-CD2 3.94Å; S70-L74 PolarHBondContact O-N 2.95Å; L71-L74 HydrophobicContact CD1-CD2 4.42Å; L71-L74 WeakPolarHBondContact O-CB 3.27Å; L71-L74 PolarHBondContact O-N 3.04Å; K72-L74 VanDerWaalsContact C-N 3.31Å; K72-L74 PolarHBondContact O-N 2.88Å; L74-P77 WeakPolarHBondContact O-CD 3.43Å
75L95Very high93Very high2 Ų245.1 Ų45.11%0.0124%0.244CC..Hα-helixtrans-82.9-21.2-176.9-63.5-176.4000113.6I8 V10 L71 K72 S73 P77 A78 V81 L106I8-L75 HydrophobicContact CB-CD2 4.3Å; I8-L75 HydrophobicContact CG2-CD2 3.89Å; V10-L75 HydrophobicContact CG1-CD2 4.03Å; V10-L75 HydrophobicContact CG2-CD2 4.23Å; L71-L75 HydrophobicContact CD1-CD1 4.23Å; L71-L75 HydrophobicContact CD1-CG 4.31Å; L71-L75 HydrophobicContact CG-CD1 4.19Å; L71-L75 WeakPolarHBondContact O-CG 3.36Å; L71-L75 PolarHBondContact O-N 2.65Å; K72-L75 PolarHBondContact O-N 3.27Å; S73-L75 VanDerWaalsContact C-N 3.35Å; L75-P77 VanDerWaalsContact C-CD 3.46Å; L75-A78 WeakPolarHBondContact O-CB 3.49Å; L75-A78 PolarHBondContact O-N 3.32Å; L75-V81 HydrophobicContact CB-CG2 4.42Å; L75-V81 HydrophobicContact CD1-CG1 4.26Å; L75-V81 HydrophobicContact CD2-CG1 3.73Å; L75-V81 HydrophobicContact CD2-CG2 4.04Å; L75-L106 HydrophobicContact CB-CD1 3.62Å; L75-L106 HydrophobicContact CD1-CD1 4.07Å
76Q93Very high93.3Very high95 Ų9540.7 Ų40.744%0.44422%0.22SC..THydrogen-bonded Turntrans-54-41-175.8-172.1173-16.500114.6K72 A78 K110K72-Q76 WeakPolarHBondContact O-CB 3.13Å; K72-Q76 PolarHBondContact O-N 3.17Å; Q76-A78 PolarHBondContact O-N 2.93Å; Q76-K110 PolarHBondContact O-NZ 3.41Å
77P93.6Very high93.8Very high59 Ų5940.6 Ų40.638%0.38322%0.218SC..THydrogen-bonded Turntrans-79.60.9179.730.7-34.1000114.7I8 S73 L74 L75I8-P77 HydrophobicContact CD1-CG 4.02Å; S73-P77 WeakPolarHBondContact O-CD 3.26Å; L74-P77 WeakPolarHBondContact O-CD 3.43Å; L75-P77 VanDerWaalsContact C-CD 3.46Å
78A94.8Very high94.1Very high3 Ų338.8 Ų38.83%0.02521%0.205CC..  trans-71.7139.1-177.500000113.1I8 L75 Q76 F80 V81I8-A78 HydrophobicContact CB-CB 4.33Å; I8-A78 HydrophobicContact CD1-CB 3.79Å; I8-A78 HydrophobicContact CG1-CB 3.83Å; L75-A78 WeakPolarHBondContact O-CB 3.49Å; L75-A78 PolarHBondContact O-N 3.32Å; Q76-A78 PolarHBondContact O-N 2.93Å; A78-F80 WeakPolarHBondContact CB-O 3.35Å; A78-V81 HydrophobicContact CB-CG2 3.7Å
79D93.4Very high94.3Very high43 Ų4338.1 Ų38.123%0.2320%0.203CC..SBendtrans-83.9-31.7155.6-58.3-71.5000109.8L5 R6 V114L5-D79 WeakPolarHBondContact CA-OD2 3.35Å; L5-D79 HydrophobicContact CD2-CB 4.21Å; R6-D79 PolarHBondContact N-OD2 2.84Å; R6-D79 PolarHBondContact O-N 3.48Å; D79-V114 PolarHBondContact O-N 3.04Å
80F95Very high94.4Very high0 Ų032.5 Ų32.50%019%0.191CC..EExtended strand (participates in β ladder)trans-132.9137.4179.6-52.2-77.4000111.9L5 R6 A7 I8 L56 A78 V114 L166 Y170L5-F80 HydrophobicContact CB-CE2 3.97Å; L5-F80 HydrophobicContact CD1-CE2 3.92Å; L5-F80 HydrophobicContact CD1-CZ 4.33Å; L5-F80 HydrophobicContact CD2-CE2 3.95Å; L5-F80 HydrophobicContact CD2-CZ 4.48Å; L5-F80 HydrophobicContact CG-CE2 4.17Å; R6-F80 PolarHBondContact O-N 2.83Å; A7-F80 CarbonylContact C-O 3.52Å; A7-F80 VanDerWaalsContact CA-O 3.26Å; A7-F80 WeakPolarHBondContact CA-O 3.4Å; A7-F80 HydrophobicContact CB-CB 3.88Å; A7-F80 HydrophobicContact CB-CD2 4.44Å; I8-F80 PolarHBondContact N-O 3.05Å; L56-F80 HydrophobicContact CD1-CD2 4.18Å; L56-F80 HydrophobicContact CD1-CE2 4.39Å; A78-F80 WeakPolarHBondContact CB-O 3.35Å; F80-V114 CarbonylContact C-O 3.52Å; F80-V114 VanDerWaalsContact CA-O 3.3Å; F80-V114 WeakPolarHBondContact CA-O 3.38Å; F80-V114 HydrophobicContact CD1-CB 3.69Å; F80-V114 HydrophobicContact CD1-CG1 4.22Å; F80-V114 HydrophobicContact CD1-CG2 4.41Å; F80-V114 HydrophobicContact CE1-CB 3.99Å; F80-V114 HydrophobicContact CE1-CG2 4.22Å; F80-L166 HydrophobicContact CB-CD1 3.92Å; F80-L166 HydrophobicContact CD1-CB 4.03Å; F80-L166 HydrophobicContact CD1-CD1 3.76Å; F80-L166 HydrophobicContact CD1-CD2 3.33Å; F80-L166 HydrophobicContact CD1-CG 3.88Å; F80-L166 HydrophobicContact CD2-CD1 4.39Å; F80-L166 HydrophobicContact CE1-CB 3.85Å; F80-L166 HydrophobicContact CE1-CD1 4.42Å; F80-L166 HydrophobicContact CE1-CD2 3.74Å; F80-L166 HydrophobicContact CE1-CG 4.2Å; F80-L166 HydrophobicContact CG-CD1 3.76Å; F80-L166 HydrophobicContact CG-CD2 4.18Å; F80-L166 HydrophobicContact CG-CG 4.38Å; F80-L166 HydrophobicContact CZ-CB 4.25Å; F80-Y170 HydrophobicContact CE1-CD2 4.42Å; F80-Y170 HydrophobicContact CE2-CD2 4.43Å; F80-Y170 AromaticContact CZ-CD2 3.73Å; F80-Y170 HydrophobicContact CZ-CD2 3.73Å; F80-Y170 AromaticContact CZ-CG 4Å; F80-Y170 HydrophobicContact CZ-CG 4Å
81V96.7Very high94.6Very high0 Ų031.3 Ų31.30%019%0.186CC..EExtended strand (participates in β ladder)trans-116.7123.6170.2-178.90000109.1V10 L75 A78 F83 V113 V114 F115 L116V10-V81 HydrophobicContact CG2-CG1 4.06Å; L75-V81 HydrophobicContact CB-CG2 4.42Å; L75-V81 HydrophobicContact CD1-CG1 4.26Å; L75-V81 HydrophobicContact CD2-CG1 3.73Å; L75-V81 HydrophobicContact CD2-CG2 4.04Å; A78-V81 HydrophobicContact CB-CG2 3.7Å; V81-F83 HydrophobicContact CG1-CD1 4.23Å; V81-F83 HydrophobicContact CG1-CD2 4.48Å; V81-F83 HydrophobicContact CG1-CE1 3.71Å; V81-F83 HydrophobicContact CG1-CE2 4.01Å; V81-F83 HydrophobicContact CG1-CZ 3.59Å; V81-V113 HydrophobicContact CG2-CG1 4.19Å; V81-V114 PolarHBondContact N-O 3.48Å; V81-F115 HydrophobicContact CB-CD1 3.63Å; V81-F115 HydrophobicContact CB-CE1 3.88Å; V81-F115 HydrophobicContact CG1-CD1 4.13Å; V81-F115 HydrophobicContact CG1-CE1 4.38Å; V81-F115 HydrophobicContact CG2-CD1 4.09Å; V81-F115 HydrophobicContact CG2-CE1 3.81Å; V81-F115 WeakPolarHBondContact O-CA 3.37Å; V81-L116 PolarHBondContact O-N 2.68Å
82L97.9Very high94.8Very high0 Ų031 Ų310%018%0.184CC..EExtended strand (participates in β ladder)trans-109.3107179-60.4-178000109.3A7 I8 V9 V10 L116 L118 F163 L166A7-L82 HydrophobicContact CB-CD1 4.41Å; I8-L82 PolarHBondContact O-N 3.34Å; V9-L82 WeakPolarHBondContact CA-O 3.31Å; V9-L82 HydrophobicContact CB-CB 4.41Å; V9-L82 HydrophobicContact CG1-CB 4.21Å; V9-L82 HydrophobicContact CG2-CB 4.07Å; V9-L82 HydrophobicContact CG2-CD1 3.85Å; V9-L82 HydrophobicContact CG2-CG 4.37Å; V10-L82 PolarHBondContact N-O 3.28Å; L82-L116 HydrophobicContact CD2-CB 3.71Å; L82-L116 HydrophobicContact CD2-CD1 3.84Å; L82-L116 HydrophobicContact CD2-CG 4.14Å; L82-L118 HydrophobicContact CB-CD1 4.5Å; L82-L118 HydrophobicContact CD1-CD1 4.36Å; L82-F163 HydrophobicContact CD1-CD1 4.36Å; L82-F163 HydrophobicContact CD1-CE1 3.43Å; L82-F163 VanDerWaalsContact CD1-CE1 3.43Å; L82-F163 HydrophobicContact CD1-CZ 3.79Å; L82-L166 HydrophobicContact CD2-CD1 3.95Å
83F98.2Very high95Very high0 Ų030.4 Ų30.40%018%0.184CC..EExtended strand (participates in β ladder)trans-86114172.2-58.7-66.1000109.7V10 V81 F95 L96 V99 V103 F115 L116 V117 L118 W140V10-F83 HydrophobicContact CG2-CD1 3.44Å; V10-F83 VanDerWaalsContact CG2-CD1 3.44Å; V10-F83 HydrophobicContact CG2-CE1 3.66Å; V10-F83 HydrophobicContact CG2-CG 4.48Å; V10-F83 CarbonylContact O-C 3.59Å; V10-F83 WeakPolarHBondContact O-CA 3.44Å; V81-F83 HydrophobicContact CG1-CD1 4.23Å; V81-F83 HydrophobicContact CG1-CD2 4.48Å; V81-F83 HydrophobicContact CG1-CE1 3.71Å; V81-F83 HydrophobicContact CG1-CE2 4.01Å; V81-F83 HydrophobicContact CG1-CZ 3.59Å; F83-F95 AromaticContact CD1-CE1 3.83Å; F83-F95 HydrophobicContact CD1-CE1 3.83Å; F83-F95 HydrophobicContact CD1-CZ 4.39Å; F83-L96 HydrophobicContact CB-CD2 3.8Å; F83-L96 HydrophobicContact CG-CD2 4.11Å; F83-V99 HydrophobicContact CD1-CG2 4.2Å; F83-V99 HydrophobicContact CE1-CB 4.26Å; F83-V99 HydrophobicContact CE1-CG1 4.5Å; F83-V99 HydrophobicContact CE1-CG2 3.7Å; F83-V99 HydrophobicContact CZ-CG2 3.95Å; F83-V103 HydrophobicContact CE2-CG2 3.73Å; F83-V103 HydrophobicContact CZ-CG2 3.5Å; F83-F115 HydrophobicContact CE2-CB 4.32Å; F83-F115 AromaticContact CE2-CD1 3.67Å; F83-F115 HydrophobicContact CE2-CD1 3.67Å; F83-F115 HydrophobicContact CE2-CG 4.43Å; F83-F115 AromaticContact CZ-CD1 3.98Å; F83-F115 HydrophobicContact CZ-CD1 3.98Å; F83-F115 HydrophobicContact CZ-CE1 4.45Å; F83-L116 PolarHBondContact N-O 3.12Å; F83-V117 HydrophobicContact CB-CG2 4.22Å; F83-V117 HydrophobicContact CD2-CG2 4.38Å; F83-V117 CarbonylContact O-C 3.48Å; F83-V117 WeakPolarHBondContact O-CA 3.07Å; F83-L118 PolarHBondContact O-N 2.97Å; F83-W140 HydrophobicContact CD2-CH2 4.45Å; F83-W140 HydrophobicContact CE2-CH2 4.39Å
84V98.4Very high95.1Very high0 Ų030.8 Ų30.80%018%0.183CC..EExtended strand (participates in β ladder)trans-97.3120.3178.5-173.50000109.8V9 V10 V15 K17 I20 L118V9-V84 HydrophobicContact CG1-CG2 3.52Å; V10-V84 PolarHBondContact O-N 3.48Å; V15-V84 HydrophobicContact CB-CG1 4.28Å; V15-V84 HydrophobicContact CG2-CB 3.99Å; V15-V84 HydrophobicContact CG2-CG1 3.8Å; V15-V84 WeakPolarHBondContact CG2-O 3.43Å; K17-V84 HydrophobicContact CG-CB 3.81Å; K17-V84 HydrophobicContact CG-CG1 4.27Å; K17-V84 HydrophobicContact CG-CG2 3.88Å; I20-V84 HydrophobicContact CD1-CG1 3.58Å; I20-V84 HydrophobicContact CD1-CG2 4.24Å; V84-L118 WeakPolarHBondContact CA-O 3.41Å; V84-L118 HydrophobicContact CG2-CB 4.35Å; V84-L118 HydrophobicContact CG2-CD1 4.34Å
85C97.8Very high95.2Very high0 Ų028.2 Ų28.20%017%0.169CC..EExtended strand (participates in β ladder)trans-112.1155.6174.6-65.90000109.9L96 L118 N120 I137C85-L96 VanDerWaalsContact SG-CD1 3.57Å; C85-L118 PolarHBondContact N-O 3.28Å; C85-N120 WeakPolarHBondContact O-CB 3.38Å; C85-N120 PolarHBondContact O-N 2.64Å; C85-I137 HydrophobicContact CB-CD1 3.88Å
86A96.7Very high95.3Very high0 Ų028.1 Ų28.10%017%0.169CC..EExtended strand (participates in β ladder)trans-126.7131.7165.800000109V15 D88 N89 S92 K121V15-A86 HydrophobicContact CB-CB 4.09Å; V15-A86 HydrophobicContact CG1-CB 4.25Å; A86-D88 WeakPolarHBondContact CB-OD1 3.49Å; A86-D88 PolarHBondContact O-N 2.82Å; A86-N89 HydrophobicContact CB-CB 4.13Å; A86-N89 PolarHBondContact O-N 3.25Å; A86-S92 PolarHBondContact N-OG 2.79Å; A86-S92 PolarHBondContact O-OG 2.85Å; A86-S92 VanDerWaalsContact O-OG 3.04Å; A86-K121 HydrophobicContact CB-CD 4.05Å; A86-K121 HydrophobicContact CB-CG 4.29Å
87V95.4Very high95.4Very high4 Ų429 Ų292%0.02417%0.172CC..THydrogen-bonded Turntrans-65.4-24.1-176.7-62.30000112.7N89 V119 N120 K121 C122 Y130 Y134V87-N89 VanDerWaalsContact C-N 3.26Å; V87-N89 PolarHBondContact O-N 3.44Å; V87-V119 HydrophobicContact CG1-CG1 3.47Å; V87-V119 VanDerWaalsContact CG1-CG1 3.47Å; V87-N120 PolarHBondContact N-O 3.07Å; V87-K121 HydrophobicContact CG2-CB 4.46Å; V87-K121 WeakPolarHBondContact CG2-O 3.28Å; V87-C122 VanDerWaalsContact CG1-SG 3.57Å; V87-Y130 HydrophobicContact CB-CG 4.3Å; V87-Y130 HydrophobicContact CG2-CD2 4.06Å; V87-Y130 HydrophobicContact CG2-CG 4.1Å; V87-Y130 VanDerWaalsContact O-CD1 3.24Å; V87-Y130 WeakPolarHBondContact O-CD1 2.97Å; V87-Y134 HydrophobicContact CG1-CD2 4.24Å
88D93.4Very high95.4Very high66 Ų6628.2 Ų28.235%0.35317%0.169SC..THydrogen-bonded Turntrans-80.4-2.917478.3-17.6000114.2A86 K121 Y130A86-D88 WeakPolarHBondContact CB-OD1 3.49Å; A86-D88 PolarHBondContact O-N 2.82Å; D88-K121 HydrophobicContact CB-CD 4.48Å; D88-K121 VanDerWaalsContact OD1-CD 3.25Å; D88-K121 WeakPolarHBondContact OD1-CD 3.31Å; D88-K121 IonicContact OD1-NZ 2.82Å; D88-K121 PolarHBondContact OD1-NZ 2.92Å; D88-K121 WeakPolarHBondContact OD2-CD 3.41Å; D88-K121 IonicContact OD2-NZ 2.72Å; D88-K121 PolarHBondContact OD2-NZ 2.86Å; D88-Y130 HydrophobicContact CB-CE1 4.11Å; D88-Y130 HydrophobicContact CB-CE2 3.96Å
89N93.3Very high95.4Very high39 Ų3928 Ų2821%0.20917%0.167CC..  trans-118102.8-178.2-175.3-14.7000109.9K13 V15 A86 V87 A91 S92K13-N89 PolarHBondContact O-ND2 2.88Å; V15-N89 HydrophobicContact CG1-CB 4.48Å; A86-N89 HydrophobicContact CB-CB 4.13Å; A86-N89 PolarHBondContact O-N 3.25Å; V87-N89 VanDerWaalsContact C-N 3.26Å; V87-N89 PolarHBondContact O-N 3.44Å; N89-A91 PolarHBondContact O-N 2.86Å; N89-A91 VanDerWaalsContact OD1-CB 3.31Å; N89-A91 WeakPolarHBondContact OD1-CB 3.32Å; N89-A91 PolarHBondContact OD1-N 3.29Å; N89-S92 WeakPolarHBondContact O-CB 3.43Å; N89-S92 PolarHBondContact O-N 2.88Å; N89-S92 PolarHBondContact O-OG 2.92Å
90S89Confident95.5Very high98 Ų9826.9 Ų26.969%0.68516%0.163SC*.THydrogen-bonded Turntrans-58.6-29179.552.50000113.6S92 L93S90-S92 PolarHBondContact O-N 2.86Å; S90-L93 PolarHBondContact O-N 2.89Å
91A94.2Very high95.4Very high49 Ų4933.4 Ų33.441%0.40520%0.195SC..Hα-helixtrans-68.1-14.2176.900000112.9N89 L93 T94 F95N89-A91 PolarHBondContact O-N 2.86Å; N89-A91 VanDerWaalsContact OD1-CB 3.31Å; N89-A91 WeakPolarHBondContact OD1-CB 3.32Å; N89-A91 PolarHBondContact OD1-N 3.29Å; A91-L93 VanDerWaalsContact C-N 3.32Å; A91-L93 PolarHBondContact O-N 3.44Å; A91-T94 PolarHBondContact O-N 3.19Å; A91-F95 VanDerWaalsContact O-CB 3.31Å; A91-F95 WeakPolarHBondContact O-CB 3.49Å; A91-F95 PolarHBondContact O-N 3.45Å
92S96.5Very high95.2Very high2 Ų234.1 Ų34.11%0.01420%0.199CC..Hα-helixtrans-61.2-40.3176.9-53.90000112.1A86 N89 S90 L96A86-S92 PolarHBondContact N-OG 2.79Å; A86-S92 PolarHBondContact O-OG 2.85Å; A86-S92 VanDerWaalsContact O-OG 3.04Å; N89-S92 WeakPolarHBondContact O-CB 3.43Å; N89-S92 PolarHBondContact O-N 2.88Å; N89-S92 PolarHBondContact O-OG 2.92Å; S90-S92 PolarHBondContact O-N 2.86Å; S92-L96 WeakPolarHBondContact O-CG 3.06Å; S92-L96 PolarHBondContact O-N 2.79Å; S92-L96 VanDerWaalsContact O-N 3.09Å
93L94.8Very high94.9Very high45 Ų4534.1 Ų34.124%0.23620%0.199CC..Hα-helixtrans-70.4-45.6178.4-17863.2000111S90 A91 F95 L96 E97S90-L93 PolarHBondContact O-N 2.89Å; A91-L93 VanDerWaalsContact C-N 3.32Å; A91-L93 PolarHBondContact O-N 3.44Å; L93-F95 PolarHBondContact O-N 3.19Å; L93-L96 WeakPolarHBondContact O-CB 3.29Å; L93-L96 PolarHBondContact O-N 3.34Å; L93-E97 WeakPolarHBondContact O-CG 3.49Å; L93-E97 PolarHBondContact O-N 2.88Å
94T95.1Very high94.7Very high85 Ų8538.4 Ų38.452%0.52122%0.22SC..Hα-helixtrans-58.5-38.2176-52.60000111.8A91 E97 S98A91-T94 PolarHBondContact O-N 3.19Å; T94-E97 PolarHBondContact O-N 2.88Å; T94-S98 WeakPolarHBondContact O-CB 3.4Å; T94-S98 PolarHBondContact O-N 3.31Å; T94-S98 PolarHBondContact O-OG 2.92Å
95F96.7Very high94.4Very high3 Ų342.2 Ų42.21%0.01324%0.237CC..Hα-helixtrans-63-45.1173174.9-89.1000111.8V10 L64 F83 A91 L93 E97 S98 V99V10-F95 HydrophobicContact CB-CZ 4.07Å; V10-F95 HydrophobicContact CG2-CZ 4.19Å; L64-F95 HydrophobicContact CB-CE2 3.79Å; F83-F95 AromaticContact CD1-CE1 3.83Å; F83-F95 HydrophobicContact CD1-CE1 3.83Å; F83-F95 HydrophobicContact CD1-CZ 4.39Å; A91-F95 VanDerWaalsContact O-CB 3.31Å; A91-F95 WeakPolarHBondContact O-CB 3.49Å; A91-F95 PolarHBondContact O-N 3.45Å; L93-F95 PolarHBondContact O-N 3.19Å; F95-E97 VanDerWaalsContact C-N 3.33Å; F95-E97 PolarHBondContact O-N 3.06Å; F95-S98 WeakPolarHBondContact CA-OG 3.45Å; F95-S98 PolarHBondContact O-N 2.9Å; F95-S98 PolarHBondContact O-OG 2.81Å; F95-V99 HydrophobicContact CE1-CG1 4.13Å; F95-V99 HydrophobicContact CE2-CG1 4.14Å; F95-V99 HydrophobicContact CZ-CG1 3.86Å; F95-V99 WeakPolarHBondContact O-CG1 3.4Å; F95-V99 PolarHBondContact O-N 3.4Å
96L96.8Very high94.2Very high0 Ų042.3 Ų42.30%024%0.238CC..Hα-helixtrans-62-42.7176.3-73.2-178.6000111.9F83 C85 S92 L93 S98 V99 S100 V117 I137 W140F83-L96 HydrophobicContact CB-CD2 3.8Å; F83-L96 HydrophobicContact CG-CD2 4.11Å; C85-L96 VanDerWaalsContact SG-CD1 3.57Å; S92-L96 WeakPolarHBondContact O-CG 3.06Å; S92-L96 PolarHBondContact O-N 2.79Å; S92-L96 VanDerWaalsContact O-N 3.09Å; L93-L96 WeakPolarHBondContact O-CB 3.29Å; L93-L96 PolarHBondContact O-N 3.34Å; L96-S98 VanDerWaalsContact C-N 3.34Å; L96-S98 PolarHBondContact O-N 3Å; L96-V99 VanDerWaalsContact O-CG2 3.31Å; L96-V99 WeakPolarHBondContact O-CG2 3.36Å; L96-V99 PolarHBondContact O-N 2.75Å; L96-S100 PolarHBondContact O-N 3.17Å; L96-V117 HydrophobicContact CD1-CG1 4.49Å; L96-V117 HydrophobicContact CD2-CG2 4.23Å; L96-I137 HydrophobicContact CD1-CB 4.49Å; L96-I137 HydrophobicContact CD1-CG1 4.33Å; L96-I137 HydrophobicContact CD1-CG2 3.93Å; L96-W140 HydrophobicContact CB-CD2 3.8Å; L96-W140 HydrophobicContact CB-CE3 4.29Å; L96-W140 HydrophobicContact CB-CG 4.07Å; L96-W140 HydrophobicContact CB-CZ2 4.09Å; L96-W140 HydrophobicContact CD1-CD2 4.06Å; L96-W140 HydrophobicContact CD1-CE3 3.92Å; L96-W140 HydrophobicContact CD1-CG 4.34Å; L96-W140 HydrophobicContact CD1-CZ3 4.5Å; L96-W140 HydrophobicContact CD2-CD2 4.47Å; L96-W140 HydrophobicContact CD2-CE3 4.12Å; L96-W140 HydrophobicContact CD2-CH2 3.98Å; L96-W140 HydrophobicContact CD2-CZ2 4.3Å; L96-W140 HydrophobicContact CD2-CZ3 3.89Å; L96-W140 HydrophobicContact CG-CD2 4.34Å; L96-W140 HydrophobicContact CG-CE3 4.35Å; L96-W140 VanDerWaalsContact O-CE2 3.3Å; L96-W140 WeakPolarHBondContact O-CZ2 3.19Å; L96-W140 PolarHBondContact O-NE1 3.37Å; L96-W140 VanDerWaalsContact O-NE1 3.12Å
97E95.2Very high93.9Very high112 Ų11245.8 Ų45.852%0.52325%0.254SS..Hα-helixtrans-62.9-39.2177.3-69.6170.8162.400112.2L93 T94 F95 V99 S100L93-E97 WeakPolarHBondContact O-CG 3.49Å; L93-E97 PolarHBondContact O-N 2.88Å; T94-E97 PolarHBondContact O-N 2.88Å; F95-E97 VanDerWaalsContact C-N 3.33Å; F95-E97 PolarHBondContact O-N 3.06Å; E97-V99 VanDerWaalsContact C-N 3.32Å; E97-V99 PolarHBondContact O-N 2.84Å; E97-S100 PolarHBondContact O-N 2.97Å
98S94Very high93.7Very high43 Ų4352.6 Ų52.630%0.30128%0.283SS..Hα-helixtrans-69.2-29.1178.964.30000113D65 G66 T94 F95 L96D65-S98 PolarHBondContact O-OG 2.89Å; G66-S98 VanDerWaalsContact CA-OG 3.32Å; G66-S98 WeakPolarHBondContact CA-OG 3.3Å; T94-S98 WeakPolarHBondContact O-CB 3.4Å; T94-S98 PolarHBondContact O-N 3.31Å; T94-S98 PolarHBondContact O-OG 2.92Å; F95-S98 WeakPolarHBondContact CA-OG 3.45Å; F95-S98 PolarHBondContact O-N 2.9Å; F95-S98 PolarHBondContact O-OG 2.81Å; L96-S98 VanDerWaalsContact C-N 3.34Å; L96-S98 PolarHBondContact O-N 3Å
99V94.7Very high93.7Very high0 Ų054.6 Ų54.60%029%0.29CS..Hα-helixtrans-88.2-9.1179-520000114.7L71 F83 F95 L96 E97 M101 C102 V103 W140L71-V99 HydrophobicContact CD2-CB 4.12Å; L71-V99 HydrophobicContact CD2-CG1 3.42Å; L71-V99 VanDerWaalsContact CD2-CG1 3.42Å; F83-V99 HydrophobicContact CD1-CG2 4.2Å; F83-V99 HydrophobicContact CE1-CB 4.26Å; F83-V99 HydrophobicContact CE1-CG1 4.5Å; F83-V99 HydrophobicContact CE1-CG2 3.7Å; F83-V99 HydrophobicContact CZ-CG2 3.95Å; F95-V99 HydrophobicContact CE1-CG1 4.13Å; F95-V99 HydrophobicContact CE2-CG1 4.14Å; F95-V99 HydrophobicContact CZ-CG1 3.86Å; F95-V99 WeakPolarHBondContact O-CG1 3.4Å; F95-V99 PolarHBondContact O-N 3.4Å; L96-V99 VanDerWaalsContact O-CG2 3.31Å; L96-V99 WeakPolarHBondContact O-CG2 3.36Å; L96-V99 PolarHBondContact O-N 2.75Å; E97-V99 VanDerWaalsContact C-N 3.32Å; E97-V99 PolarHBondContact O-N 2.84Å; V99-M101 VanDerWaalsContact C-N 3.33Å; V99-M101 PolarHBondContact O-N 2.99Å; V99-C102 WeakPolarHBondContact O-CA 3.26Å; V99-C102 WeakPolarHBondContact O-CB 3.25Å; V99-C102 PolarHBondContact O-N 3.17Å; V99-V103 HydrophobicContact CG2-CG2 4.36Å; V99-V103 PolarHBondContact O-N 3.46Å; V99-W140 HydrophobicContact CG2-CZ2 4.24Å
100S94.9Very high93.5Very high19 Ų1956.6 Ų56.613%0.13330%0.297CS..Hα-helixtrans-50.5-47.7-178.4-83.50000113.1L96 E97 C102 V103 E104 W140 E144L96-S100 PolarHBondContact O-N 3.17Å; E97-S100 PolarHBondContact O-N 2.97Å; S100-C102 VanDerWaalsContact C-N 3.28Å; S100-C102 PolarHBondContact O-N 3.07Å; S100-V103 PolarHBondContact O-N 3.28Å; S100-E104 PolarHBondContact O-N 3.45Å; S100-W140 PolarHBondContact OG-NE1 3.35Å; S100-E144 WeakPolarHBondContact CB-OE1 3.42Å; S100-E144 PolarHBondContact OG-OE1 3.37Å
101M92.9Very high93.2Very high137 Ų13761 Ų6168%0.67530%0.304SS*.Hα-helixtrans-63.5-34.8178.9-69.6-176.670.700112.5V99 Q105V99-M101 VanDerWaalsContact C-N 3.33Å; V99-M101 PolarHBondContact O-N 2.99Å; M101-Q105 VanDerWaalsContact O-CG 3.31Å; M101-Q105 WeakPolarHBondContact O-CG 3.14Å; M101-Q105 PolarHBondContact O-N 3Å; M101-Q105 VanDerWaalsContact O-N 3.14Å
102C92.9Very high92.8Very high14 Ų1465.2 Ų65.210%0.09532%0.32CS..Hα-helixtrans-69.9-43177.3-1740000111.1L71 V99 S100 E104 Q105 L106L71-C102 HydrophobicContact CD2-CB 4.45Å; V99-C102 WeakPolarHBondContact O-CA 3.26Å; V99-C102 WeakPolarHBondContact O-CB 3.25Å; V99-C102 PolarHBondContact O-N 3.17Å; S100-C102 VanDerWaalsContact C-N 3.28Å; S100-C102 PolarHBondContact O-N 3.07Å; C102-E104 PolarHBondContact O-N 3.14Å; C102-Q105 PolarHBondContact O-N 2.82Å; C102-L106 WeakPolarHBondContact O-CB 2.94Å; C102-L106 WeakPolarHBondContact O-CG 3.5Å; C102-L106 PolarHBondContact O-N 3.15Å
103V92.7Very high92.6Very high0 Ų066 Ų660%032%0.324CS..Hα-helixtrans-57.8-49174.4173.60000110.6F83 V99 S100 Q105 L106 Q107 F115 W140F83-V103 HydrophobicContact CE2-CG2 3.73Å; F83-V103 HydrophobicContact CZ-CG2 3.5Å; V99-V103 HydrophobicContact CG2-CG2 4.36Å; V99-V103 PolarHBondContact O-N 3.46Å; S100-V103 PolarHBondContact O-N 3.28Å; V103-Q105 VanDerWaalsContact C-N 3.34Å; V103-Q105 PolarHBondContact O-N 3Å; V103-L106 PolarHBondContact O-N 2.6Å; V103-Q107 HydrophobicContact CG1-CG 4.28Å; V103-Q107 WeakPolarHBondContact O-CB 3.39Å; V103-Q107 VanDerWaalsContact O-CG 3.31Å; V103-Q107 WeakPolarHBondContact O-CG 3.34Å; V103-Q107 PolarHBondContact O-N 2.85Å; V103-F115 HydrophobicContact CG1-CD1 4.31Å; V103-F115 HydrophobicContact CG1-CD2 4.41Å; V103-F115 HydrophobicContact CG1-CE1 4.38Å; V103-F115 HydrophobicContact CG1-CE2 4.49Å; V103-F115 HydrophobicContact CG1-CG 4.33Å; V103-F115 HydrophobicContact CG1-CZ 4.48Å; V103-F115 HydrophobicContact CG2-CD1 4.17Å; V103-F115 HydrophobicContact CG2-CE1 4.19Å; V103-W140 HydrophobicContact CG2-CH2 4.49Å
104E93.2Very high92.5Very high91 Ų9164.4 Ų64.443%0.42532%0.317SS..Hα-helixtrans-58.6-44.5179.2-172.2-171.8173.100112S100 C102 K108S100-E104 PolarHBondContact O-N 3.45Å; C102-E104 PolarHBondContact O-N 3.14Å; E104-K108 WeakPolarHBondContact O-CG 3.35Å; E104-K108 PolarHBondContact O-N 2.93Å; E104-K108 WeakPolarHBondContact OE1-CE 3.41Å; E104-K108 IonicContact OE1-NZ 2.75Å; E104-K108 PolarHBondContact OE1-NZ 3.48Å
105Q93.2Very high92.5Very high80 Ų8061 Ų6137%0.37430%0.295SS..Hα-helixtrans-64.1-47.4177.8-73.2178.416.200112.1M101 C102 V103 Q107 K108 E109M101-Q105 VanDerWaalsContact O-CG 3.31Å; M101-Q105 WeakPolarHBondContact O-CG 3.14Å; M101-Q105 PolarHBondContact O-N 3Å; M101-Q105 VanDerWaalsContact O-N 3.14Å; C102-Q105 PolarHBondContact O-N 2.82Å; V103-Q105 VanDerWaalsContact C-N 3.34Å; V103-Q105 PolarHBondContact O-N 3Å; Q105-Q107 VanDerWaalsContact C-N 3.34Å; Q105-Q107 PolarHBondContact O-N 3.27Å; Q105-K108 PolarHBondContact O-N 3.37Å; Q105-E109 WeakPolarHBondContact O-CG 3.41Å; Q105-E109 PolarHBondContact O-N 3.19Å
106L92.5Very high92.5Very high2 Ų260.9 Ų60.91%0.0129%0.294CS..Hα-helixtrans-64.7-37.8-179.7-71.7172.1000112.1K72 L75 C102 V103 K108 E109 K110 F115K72-L106 HydrophobicContact CG-CD2 4.36Å; L75-L106 HydrophobicContact CB-CD1 3.62Å; L75-L106 HydrophobicContact CD1-CD1 4.07Å; C102-L106 WeakPolarHBondContact O-CB 2.94Å; C102-L106 WeakPolarHBondContact O-CG 3.5Å; C102-L106 PolarHBondContact O-N 3.15Å; V103-L106 PolarHBondContact O-N 2.6Å; L106-K108 VanDerWaalsContact C-N 3.31Å; L106-K108 PolarHBondContact O-N 3.35Å; L106-E109 PolarHBondContact O-N 3.49Å; L106-K110 PolarHBondContact O-N 3.04Å; L106-F115 HydrophobicContact CB-CZ 3.77Å; L106-F115 HydrophobicContact CD1-CE1 4.24Å; L106-F115 HydrophobicContact CD1-CZ 4.18Å
107Q90.4Very high92.6Very high73 Ų7360.9 Ų60.934%0.34129%0.294SS..Hα-helixtrans-63.4-34.9174.6-75178.5-12.900112.6V103 Q105 F115V103-Q107 HydrophobicContact CG1-CG 4.28Å; V103-Q107 WeakPolarHBondContact O-CB 3.39Å; V103-Q107 VanDerWaalsContact O-CG 3.31Å; V103-Q107 WeakPolarHBondContact O-CG 3.34Å; V103-Q107 PolarHBondContact O-N 2.85Å; Q105-Q107 VanDerWaalsContact C-N 3.34Å; Q105-Q107 PolarHBondContact O-N 3.27Å; Q107-F115 HydrophobicContact CG-CD2 4.05Å; Q107-F115 HydrophobicContact CG-CE2 3.56Å; Q107-F115 HydrophobicContact CG-CZ 4.4Å
108K92.2Very high92.7Very high146 Ų14655.6 Ų55.664%0.63527%0.269SS*.Hα-helixtrans-72-39.9175.4-72.1173.7-173.71710112.2E104 Q105 L106E104-K108 WeakPolarHBondContact O-CG 3.35Å; E104-K108 PolarHBondContact O-N 2.93Å; E104-K108 WeakPolarHBondContact OE1-CE 3.41Å; E104-K108 IonicContact OE1-NZ 2.75Å; E104-K108 PolarHBondContact OE1-NZ 3.48Å; Q105-K108 PolarHBondContact O-N 3.37Å; L106-K108 VanDerWaalsContact C-N 3.31Å; L106-K108 PolarHBondContact O-N 3.35Å
109E92.1Very high92.9Very high108 Ų10853.5 Ų53.551%0.50526%0.255SS..Hα-helixtrans-79.1-35.8-177.4-71.4171.3-170.800113K72 Q105 L106K72-E109 VanDerWaalsContact CE-OE2 3.26Å; K72-E109 WeakPolarHBondContact CE-OE2 3.26Å; K72-E109 IonicContact NZ-OE1 2.69Å; K72-E109 PolarHBondContact NZ-OE1 3.3Å; K72-E109 IonicContact NZ-OE2 2.68Å; K72-E109 PolarHBondContact NZ-OE2 3.03Å; Q105-E109 WeakPolarHBondContact O-CG 3.41Å; Q105-E109 PolarHBondContact O-N 3.19Å; L106-E109 PolarHBondContact O-N 3.49Å
110K89.1Confident93Very high81 Ų8153.9 Ų53.935%0.35226%0.257SS..  trans-136.895.7-174.4-61.3-172173.3-161.70111.4Q76 L106 D112 V113Q76-K110 PolarHBondContact O-NZ 3.41Å; L106-K110 PolarHBondContact O-N 3.04Å; K110-D112 PolarHBondContact O-N 2.96Å; K110-D112 VanDerWaalsContact O-N 3.12Å; K110-V113 HydrophobicContact CB-CG2 3.52Å; K110-V113 HydrophobicContact CD-CG2 3.85Å; K110-V113 HydrophobicContact CG-CG2 4.35Å; K110-V113 PolarHBondContact O-N 3.17Å
111K82.6Confident92.9Very high190 Ų19056 Ų5683%0.82626%0.264SS*.THydrogen-bonded Turntrans-61.9-22.3-176.9-64.7-173.8179.6179.40114.5
112D86.2Confident92.6Very high139 Ų13950.4 Ų50.474%0.74324%0.238SC*.THydrogen-bonded Turntrans-93.9-6.4-174-58.8-35.4000114K110 V114K110-D112 PolarHBondContact O-N 2.96Å; K110-D112 VanDerWaalsContact O-N 3.12Å; D112-V114 PolarHBondContact O-N 3.47Å
113V91.4Very high92Very high17 Ų1752.4 Ų52.410%0.10325%0.248CC..PPolyproline II helixtrans-70.7126.9178.1-1790000109.5V81 K110 F115V81-V113 HydrophobicContact CG2-CG1 4.19Å; K110-V113 HydrophobicContact CB-CG2 3.52Å; K110-V113 HydrophobicContact CD-CG2 3.85Å; K110-V113 HydrophobicContact CG-CG2 4.35Å; K110-V113 PolarHBondContact O-N 3.17Å; V113-F115 HydrophobicContact CB-CE2 4.07Å; V113-F115 HydrophobicContact CB-CZ 4.29Å; V113-F115 HydrophobicContact CG1-CD2 4.39Å; V113-F115 HydrophobicContact CG1-CE1 4.22Å; V113-F115 HydrophobicContact CG1-CE2 3.75Å; V113-F115 HydrophobicContact CG1-CZ 3.64Å
114V93Very high90.9Very high13 Ų1357.6 Ų57.68%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-103.8121.7179.6174.30000110.3D79 F80 V81 D112 L166 K169D79-V114 PolarHBondContact O-N 3.04Å; F80-V114 CarbonylContact C-O 3.52Å; F80-V114 VanDerWaalsContact CA-O 3.3Å; F80-V114 WeakPolarHBondContact CA-O 3.38Å; F80-V114 HydrophobicContact CD1-CB 3.69Å; F80-V114 HydrophobicContact CD1-CG1 4.22Å; F80-V114 HydrophobicContact CD1-CG2 4.41Å; F80-V114 HydrophobicContact CE1-CB 3.99Å; F80-V114 HydrophobicContact CE1-CG2 4.22Å; V81-V114 PolarHBondContact N-O 3.48Å; D112-V114 PolarHBondContact O-N 3.47Å; V114-L166 HydrophobicContact CB-CD2 4.32Å; V114-L166 HydrophobicContact CG1-CD2 3.55Å; V114-K169 HydrophobicContact CG1-CD 4.19Å; V114-K169 HydrophobicContact CG2-CD 3.89Å
115F95.5Very high89.5Confident13 Ų1359 Ų596%0.05730%0.3CS..EExtended strand (participates in β ladder)trans-97.2138.4175.1-58.8-90.2000110.1V81 F83 V103 L106 Q107 V113 V146V81-F115 HydrophobicContact CB-CD1 3.63Å; V81-F115 HydrophobicContact CB-CE1 3.88Å; V81-F115 HydrophobicContact CG1-CD1 4.13Å; V81-F115 HydrophobicContact CG1-CE1 4.38Å; V81-F115 HydrophobicContact CG2-CD1 4.09Å; V81-F115 HydrophobicContact CG2-CE1 3.81Å; V81-F115 WeakPolarHBondContact O-CA 3.37Å; F83-F115 HydrophobicContact CE2-CB 4.32Å; F83-F115 AromaticContact CE2-CD1 3.67Å; F83-F115 HydrophobicContact CE2-CD1 3.67Å; F83-F115 HydrophobicContact CE2-CG 4.43Å; F83-F115 AromaticContact CZ-CD1 3.98Å; F83-F115 HydrophobicContact CZ-CD1 3.98Å; F83-F115 HydrophobicContact CZ-CE1 4.45Å; V103-F115 HydrophobicContact CG1-CD1 4.31Å; V103-F115 HydrophobicContact CG1-CD2 4.41Å; V103-F115 HydrophobicContact CG1-CE1 4.38Å; V103-F115 HydrophobicContact CG1-CE2 4.49Å; V103-F115 HydrophobicContact CG1-CG 4.33Å; V103-F115 HydrophobicContact CG1-CZ 4.48Å; V103-F115 HydrophobicContact CG2-CD1 4.17Å; V103-F115 HydrophobicContact CG2-CE1 4.19Å; L106-F115 HydrophobicContact CB-CZ 3.77Å; L106-F115 HydrophobicContact CD1-CE1 4.24Å; L106-F115 HydrophobicContact CD1-CZ 4.18Å; Q107-F115 HydrophobicContact CG-CD2 4.05Å; Q107-F115 HydrophobicContact CG-CE2 3.56Å; Q107-F115 HydrophobicContact CG-CZ 4.4Å; V113-F115 HydrophobicContact CB-CE2 4.07Å; V113-F115 HydrophobicContact CB-CZ 4.29Å; V113-F115 HydrophobicContact CG1-CD2 4.39Å; V113-F115 HydrophobicContact CG1-CE1 4.22Å; V113-F115 HydrophobicContact CG1-CE2 3.75Å; V113-F115 HydrophobicContact CG1-CZ 3.64Å; F115-V146 HydrophobicContact CB-CG1 4Å; F115-V146 HydrophobicContact CB-CG2 3.91Å
116L97.4Very high88.3Confident1 Ų155.6 Ų55.61%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-134149.9169.5-64.6-175.8000111V81 L82 F83 R147 F149 P162 Y165 L166V81-L116 PolarHBondContact O-N 2.68Å; L82-L116 HydrophobicContact CD2-CB 3.71Å; L82-L116 HydrophobicContact CD2-CD1 3.84Å; L82-L116 HydrophobicContact CD2-CG 4.14Å; F83-L116 PolarHBondContact N-O 3.12Å; L116-R147 WeakPolarHBondContact CA-O 3.49Å; L116-R147 HydrophobicContact CD2-CB 3.71Å; L116-R147 HydrophobicContact CD2-CG 4.33Å; L116-F149 HydrophobicContact CD1-CD2 4.23Å; L116-F149 HydrophobicContact CD1-CE2 3.92Å; L116-F149 HydrophobicContact CD2-CD2 4.3Å; L116-F149 HydrophobicContact CD2-CE2 3.79Å; L116-F149 HydrophobicContact CG-CE2 4.48Å; L116-P162 HydrophobicContact CD1-CB 4.08Å; L116-Y165 HydrophobicContact CD1-CD1 4.21Å; L116-Y165 HydrophobicContact CD2-CD1 3.99Å; L116-Y165 HydrophobicContact CD2-CE1 3.77Å; L116-L166 HydrophobicContact CD1-CD1 4.15Å; L116-L166 HydrophobicContact CD1-CD2 3.37Å; L116-L166 HydrophobicContact CD1-CG 3.62Å; L116-L166 HydrophobicContact CD2-CD2 4.49Å; L116-L166 HydrophobicContact CG-CD2 3.77Å
117V98.3Very high87.1Confident0 Ų059.1 Ų59.10%030%0.302CS..EExtended strand (participates in β ladder)trans-105.9128.1164.6-177.80000109.7F83 L96 V119 I137 W140 C141 V146 R147 C148 F149F83-V117 HydrophobicContact CB-CG2 4.22Å; F83-V117 HydrophobicContact CD2-CG2 4.38Å; F83-V117 CarbonylContact O-C 3.48Å; F83-V117 WeakPolarHBondContact O-CA 3.07Å; L96-V117 HydrophobicContact CD1-CG1 4.49Å; L96-V117 HydrophobicContact CD2-CG2 4.23Å; V117-V119 HydrophobicContact CG1-CG2 3.86Å; V117-I137 HydrophobicContact CG1-CG2 3.9Å; V117-W140 HydrophobicContact CG2-CE3 4.22Å; V117-W140 HydrophobicContact CG2-CZ3 3.76Å; V117-C141 VanDerWaalsContact CB-SG 3.59Å; V117-C141 WeakPolarHBondContact CG2-SG 2.93Å; V117-V146 HydrophobicContact CG2-CG1 3.79Å; V117-R147 PolarHBondContact N-O 3.38Å; V117-C148 CarbonylContact O-C 3.53Å; V117-C148 WeakPolarHBondContact O-CA 3.09Å; V117-F149 PolarHBondContact O-N 3.4Å
118L98.3Very high86.7Confident0 Ų060.1 Ų60.10%032%0.323CS..EExtended strand (participates in β ladder)trans-106114.3172.2-51.1-170.8000108.5I20 L82 F83 V84 C85 F149 V151 P162I20-L118 HydrophobicContact CD1-CD1 4.46Å; I20-L118 HydrophobicContact CG2-CD1 4.24Å; L82-L118 HydrophobicContact CB-CD1 4.5Å; L82-L118 HydrophobicContact CD1-CD1 4.36Å; F83-L118 PolarHBondContact O-N 2.97Å; V84-L118 WeakPolarHBondContact CA-O 3.41Å; V84-L118 HydrophobicContact CG2-CB 4.35Å; V84-L118 HydrophobicContact CG2-CD1 4.34Å; C85-L118 PolarHBondContact N-O 3.28Å; L118-F149 CarbonylContact C-O 3.58Å; L118-F149 WeakPolarHBondContact CA-O 3.4Å; L118-F149 HydrophobicContact CD2-CB 4.18Å; L118-F149 HydrophobicContact CD2-CD2 4.47Å; L118-V151 HydrophobicContact CB-CG1 4.29Å; L118-V151 HydrophobicContact CB-CG2 3.97Å; L118-V151 HydrophobicContact CD2-CG1 4.32Å; L118-P162 HydrophobicContact CD2-CB 3.53Å; L118-P162 HydrophobicContact CD2-CG 3.52Å
119V97.6Very high86.5Confident0 Ų060.1 Ų60.10%032%0.323CS..EExtended strand (participates in β ladder)trans-101.3108.5-177.8-167.10000109.4V87 V117 C122 Y134 I137 C148 F149 K150 V151V87-V119 HydrophobicContact CG1-CG1 3.47Å; V87-V119 VanDerWaalsContact CG1-CG1 3.47Å; V117-V119 HydrophobicContact CG1-CG2 3.86Å; V119-C122 VanDerWaalsContact CG1-SG 3.57Å; V119-Y134 HydrophobicContact CG1-CD2 4.04Å; V119-Y134 HydrophobicContact CG1-CE2 4.37Å; V119-I137 HydrophobicContact CG1-CD1 4.16Å; V119-I137 HydrophobicContact CG2-CG2 3.66Å; V119-C148 WeakPolarHBondContact CG2-SG 3.45Å; V119-F149 PolarHBondContact N-O 2.96Å; V119-K150 WeakPolarHBondContact O-CA 3.29Å; V119-V151 PolarHBondContact O-N 3.44Å
120N96.9Very high86.4Confident8 Ų857.1 Ų57.14%0.04331%0.307CS..EExtended strand (participates in β ladder)trans-93.3164.9-177.6-16918.3000111.8V15 C85 V87 C122 V151 P153V15-N120 PolarHBondContact O-ND2 3.34Å; C85-N120 WeakPolarHBondContact O-CB 3.38Å; C85-N120 PolarHBondContact O-N 2.64Å; V87-N120 PolarHBondContact N-O 3.07Å; N120-C122 VanDerWaalsContact C-N 3.26Å; N120-C122 PolarHBondContact O-N 3.29Å; N120-V151 HydrophobicContact CB-CG2 4.14Å; N120-V151 PolarHBondContact OD1-O 3.01Å; N120-P153 WeakPolarHBondContact OD1-CD 3.48Å
121K93.3Very high86.5Confident62 Ų6258.3 Ų58.327%0.2731%0.314SS..  trans59.933.9174.8-50-174.6-165.5164.60113.9K14 A86 V87 D88 D123K14-K121 PolarHBondContact O-NZ 2.76Å; A86-K121 HydrophobicContact CB-CD 4.05Å; A86-K121 HydrophobicContact CB-CG 4.29Å; V87-K121 HydrophobicContact CG2-CB 4.46Å; V87-K121 WeakPolarHBondContact CG2-O 3.28Å; D88-K121 HydrophobicContact CB-CD 4.48Å; D88-K121 VanDerWaalsContact OD1-CD 3.25Å; D88-K121 WeakPolarHBondContact OD1-CD 3.31Å; D88-K121 IonicContact OD1-NZ 2.82Å; D88-K121 PolarHBondContact OD1-NZ 2.92Å; D88-K121 WeakPolarHBondContact OD2-CD 3.41Å; D88-K121 IonicContact OD2-NZ 2.72Å; D88-K121 PolarHBondContact OD2-NZ 2.86Å; K121-D123 PolarHBondContact O-N 3.35Å
122C86.5Confident87Confident20 Ų2057.6 Ų57.614%0.13531%0.311CS..  trans-86.838.1172.6-59.50000111.2V87 V119 N120 K150V87-C122 VanDerWaalsContact CG1-SG 3.57Å; V119-C122 VanDerWaalsContact CG1-SG 3.57Å; N120-C122 VanDerWaalsContact C-N 3.26Å; N120-C122 PolarHBondContact O-N 3.29Å; C122-K150 HydrophobicContact CB-CD 4.06Å; C122-K150 HydrophobicContact CB-CG 4.33Å
123D79.5Confident87.4Confident57 Ų5754.6 Ų54.631%0.30529%0.292SS..  trans-60.9147.3179.550.5-78000110.7K121 C125 A126 E127K121-D123 PolarHBondContact O-N 3.35Å; D123-C125 PolarHBondContact O-N 3.3Å; D123-A126 VanDerWaalsContact CG-CB 3.42Å; D123-A126 CarbonylContact O-C 3.53Å; D123-A126 VanDerWaalsContact O-CA 3.3Å; D123-A126 WeakPolarHBondContact O-CA 3.36Å; D123-A126 VanDerWaalsContact O-CB 3.3Å; D123-A126 WeakPolarHBondContact O-CB 3.36Å; D123-A126 PolarHBondContact O-N 3.22Å; D123-A126 WeakPolarHBondContact OD1-CB 3.25Å; D123-A126 VanDerWaalsContact OD2-CB 3.25Å; D123-A126 WeakPolarHBondContact OD2-CB 3.38Å; D123-A126 PolarHBondContact OD2-N 2.8Å; D123-E127 PolarHBondContact O-N 3.33Å
124P68.9Low87.5Confident109 Ų10956.5 Ų56.571%0.70830%0.298SS*.Hα-helixtrans-54.7-33.1-174-29.235.6000114.3A126 E127P124-A126 VanDerWaalsContact C-N 3.28Å; P124-A126 PolarHBondContact O-N 3.26Å; P124-E127 PolarHBondContact O-N 2.94Å
125C65.5Low87.6Confident121 Ų12157.6 Ų57.682%0.81831%0.309SS*.Hα-helixtrans-67.7-29.6174.6-63.80000112.6D123D123-C125 PolarHBondContact O-N 3.3Å
126A67.9Low87.7Confident8 Ų859.2 Ų59.27%0.06632%0.321CS..Hα-helixtrans-88.2-21.7178.900000113D123 P124 A128 K129 Y130D123-A126 VanDerWaalsContact CG-CB 3.42Å; D123-A126 CarbonylContact O-C 3.53Å; D123-A126 VanDerWaalsContact O-CA 3.3Å; D123-A126 WeakPolarHBondContact O-CA 3.36Å; D123-A126 VanDerWaalsContact O-CB 3.3Å; D123-A126 WeakPolarHBondContact O-CB 3.36Å; D123-A126 PolarHBondContact O-N 3.22Å; D123-A126 WeakPolarHBondContact OD1-CB 3.25Å; D123-A126 VanDerWaalsContact OD2-CB 3.25Å; D123-A126 WeakPolarHBondContact OD2-CB 3.38Å; D123-A126 PolarHBondContact OD2-N 2.8Å; P124-A126 VanDerWaalsContact C-N 3.28Å; P124-A126 PolarHBondContact O-N 3.26Å; A126-A128 PolarHBondContact O-N 2.86Å; A126-K129 PolarHBondContact O-N 2.95Å; A126-Y130 HydrophobicContact CB-CD2 3.81Å; A126-Y130 HydrophobicContact CB-CE2 4.06Å; A126-Y130 WeakPolarHBondContact O-CD2 3.3Å; A126-Y130 PolarHBondContact O-N 3.39Å
127E67.3Low87.6Confident76 Ų7659.3 Ų59.336%0.35532%0.322SS..Hα-helixtrans-55.5-49.8-177.2-72.4-166.6148.300111.9D123 P124 K129 Y130 E131 K150D123-E127 PolarHBondContact O-N 3.33Å; P124-E127 PolarHBondContact O-N 2.94Å; E127-K129 VanDerWaalsContact C-N 3.29Å; E127-K129 PolarHBondContact O-N 3.14Å; E127-Y130 PolarHBondContact O-N 3.5Å; E127-E131 WeakPolarHBondContact O-CA 3.3Å; E127-E131 WeakPolarHBondContact O-CB 3.37Å; E127-E131 PolarHBondContact O-N 2.97Å; E127-K150 IonicContact OE1-NZ 2.64Å; E127-K150 PolarHBondContact OE1-NZ 2.85Å
128A80.9Confident87.6Confident94 Ų9461.1 Ų61.178%0.77733%0.333SS*.Hα-helixtrans-63.6-34.2177.800000113.1A126A126-A128 PolarHBondContact O-N 2.86Å
129K87.9Confident87.5Confident145 Ų14565.6 Ų65.663%0.6336%0.357SS*.Hα-helixtrans-74.4-34.7-178.4-175.3179177.4-1670112.3A126 E127A126-K129 PolarHBondContact O-N 2.95Å; E127-K129 VanDerWaalsContact C-N 3.29Å; E127-K129 PolarHBondContact O-N 3.14Å
130Y91.6Very high87.5Confident46 Ų4666.3 Ų66.318%0.1836%0.359CS..Hα-helixtrans-116.619.2-173.8-55.3-73.5000114.1V87 D88 A126 E127 K132 Q133 Y134V87-Y130 HydrophobicContact CB-CG 4.3Å; V87-Y130 HydrophobicContact CG2-CD2 4.06Å; V87-Y130 HydrophobicContact CG2-CG 4.1Å; V87-Y130 VanDerWaalsContact O-CD1 3.24Å; V87-Y130 WeakPolarHBondContact O-CD1 2.97Å; D88-Y130 HydrophobicContact CB-CE1 4.11Å; D88-Y130 HydrophobicContact CB-CE2 3.96Å; A126-Y130 HydrophobicContact CB-CD2 3.81Å; A126-Y130 HydrophobicContact CB-CE2 4.06Å; A126-Y130 WeakPolarHBondContact O-CD2 3.3Å; A126-Y130 PolarHBondContact O-N 3.39Å; E127-Y130 PolarHBondContact O-N 3.5Å; Y130-K132 PolarHBondContact O-N 2.81Å; Y130-Q133 VanDerWaalsContact CA-OE1 3.26Å; Y130-Q133 PolarHBondContact O-N 2.69Å; Y130-Q133 VanDerWaalsContact O-N 3.08Å; Y130-Q133 PolarHBondContact O-OE1 3.13Å; Y130-Y134 PolarHBondContact O-N 3.32Å
131E90.5Very high87.5Confident106 Ų10666.1 Ų66.150%0.49536%0.359SS..Hα-helixtrans-52.7-42.5178.8-176.158.9-15200111.9E127 Y134 A135E127-E131 WeakPolarHBondContact O-CA 3.3Å; E127-E131 WeakPolarHBondContact O-CB 3.37Å; E127-E131 PolarHBondContact O-N 2.97Å; E131-Y134 PolarHBondContact O-N 3.48Å; E131-A135 VanDerWaalsContact O-CB 3.29Å; E131-A135 WeakPolarHBondContact O-CB 3.35Å; E131-A135 PolarHBondContact O-N 2.87Å
132K92.8Very high87.7Confident175 Ų17568.8 Ų68.876%0.76137%0.374SS*.Hα-helixtrans-64.4-43.4178.3-69.1-175.3179-179.50112.2Y130 A135 S136Y130-K132 PolarHBondContact O-N 2.81Å; K132-A135 PolarHBondContact O-N 2.93Å; K132-S136 PolarHBondContact O-N 3.47Å; K132-S136 PolarHBondContact O-OG 3.09Å; K132-S136 VanDerWaalsContact O-OG 3.13Å
133Q94.2Very high88.2Confident75 Ų7575.4 Ų75.435%0.3540%0.4SS..Hα-helixtrans-66.2-43.5179.2-68.280.2-1200110.4Y130 S136 I137Y130-Q133 VanDerWaalsContact CA-OE1 3.26Å; Y130-Q133 PolarHBondContact O-N 2.69Å; Y130-Q133 VanDerWaalsContact O-N 3.08Å; Y130-Q133 PolarHBondContact O-OE1 3.13Å; Q133-S136 PolarHBondContact O-N 3.44Å; Q133-I137 WeakPolarHBondContact O-CG1 3.31Å; Q133-I137 PolarHBondContact O-N 3.29Å; Q133-I137 VanDerWaalsContact O-N 3.09Å
134Y94.6Very high88.9Confident58 Ų5874 Ų7423%0.22739%0.392CS..Hα-helixtrans-59.6-49.9174.3-180-103.4000111.2V87 V119 Y130 E131 S136 I137 V138 K150V87-Y134 HydrophobicContact CG1-CD2 4.24Å; V119-Y134 HydrophobicContact CG1-CD2 4.04Å; V119-Y134 HydrophobicContact CG1-CE2 4.37Å; Y130-Y134 PolarHBondContact O-N 3.32Å; E131-Y134 PolarHBondContact O-N 3.48Å; Y134-S136 VanDerWaalsContact C-N 3.34Å; Y134-S136 PolarHBondContact O-N 2.85Å; Y134-I137 PolarHBondContact O-N 2.86Å; Y134-V138 HydrophobicContact CD1-CG2 4.23Å; Y134-V138 HydrophobicContact CD2-CG2 4.49Å; Y134-V138 HydrophobicContact CE1-CG2 3.72Å; Y134-V138 HydrophobicContact CE2-CG2 3.99Å; Y134-V138 WeakPolarHBondContact O-CG2 3.46Å; Y134-V138 PolarHBondContact O-N 3.36Å; Y134-K150 HydrophobicContact CE2-CD 4.09Å; Y134-K150 HydrophobicContact CE2-CG 3.73Å; Y134-K150 VanDerWaalsContact OH-CE 3.28Å; Y134-K150 WeakPolarHBondContact OH-CE 3.41Å
135A95Very high90.1Very high36 Ų3678 Ų7830%0.29840%0.398SS..Hα-helixtrans-58.5-42.3177.900000112.4E131 K132 V138 N139E131-A135 VanDerWaalsContact O-CB 3.29Å; E131-A135 WeakPolarHBondContact O-CB 3.35Å; E131-A135 PolarHBondContact O-N 2.87Å; K132-A135 PolarHBondContact O-N 2.93Å; A135-V138 PolarHBondContact O-N 2.99Å; A135-N139 WeakPolarHBondContact O-CB 3.45Å; A135-N139 PolarHBondContact O-N 3.18Å; A135-N139 PolarHBondContact O-ND2 3.28Å
136S96.2Very high91.5Very high46 Ų4672.7 Ų72.732%0.32236%0.362SS..Hα-helixtrans-63.4-41.1176.5-66.30000113K132 Q133 Y134 N139 W140K132-S136 PolarHBondContact O-N 3.47Å; K132-S136 PolarHBondContact O-OG 3.09Å; K132-S136 VanDerWaalsContact O-OG 3.13Å; Q133-S136 PolarHBondContact O-N 3.44Å; Y134-S136 VanDerWaalsContact C-N 3.34Å; Y134-S136 PolarHBondContact O-N 2.85Å; S136-N139 PolarHBondContact O-N 2.85Å; S136-W140 PolarHBondContact O-N 3.46Å
137I97Very high92.8Very high4 Ų478 Ų782%0.02138%0.38CS..Hα-helixtrans-63.7-44.8175.5-68163.2000110.4C85 L96 V117 V119 Q133 Y134 N139 W140 C141C85-I137 HydrophobicContact CB-CD1 3.88Å; L96-I137 HydrophobicContact CD1-CB 4.49Å; L96-I137 HydrophobicContact CD1-CG1 4.33Å; L96-I137 HydrophobicContact CD1-CG2 3.93Å; V117-I137 HydrophobicContact CG1-CG2 3.9Å; V119-I137 HydrophobicContact CG1-CD1 4.16Å; V119-I137 HydrophobicContact CG2-CG2 3.66Å; Q133-I137 WeakPolarHBondContact O-CG1 3.31Å; Q133-I137 PolarHBondContact O-N 3.29Å; Q133-I137 VanDerWaalsContact O-N 3.09Å; Y134-I137 PolarHBondContact O-N 2.86Å; I137-N139 VanDerWaalsContact C-N 3.33Å; I137-N139 PolarHBondContact O-N 3.36Å; I137-W140 PolarHBondContact O-N 3.35Å; I137-C141 PolarHBondContact O-N 3.31Å; I137-C141 PolarHBondContact O-SG 2.91Å
138V96.4Very high94.2Very high37 Ų3776.1 Ų76.122%0.22438%0.375CS..Hα-helixtrans-62.4-40.9176.9173.70000111.3Y134 A135 W140 C141 M142Y134-V138 HydrophobicContact CD1-CG2 4.23Å; Y134-V138 HydrophobicContact CD2-CG2 4.49Å; Y134-V138 HydrophobicContact CE1-CG2 3.72Å; Y134-V138 HydrophobicContact CE2-CG2 3.99Å; Y134-V138 WeakPolarHBondContact O-CG2 3.46Å; Y134-V138 PolarHBondContact O-N 3.36Å; A135-V138 PolarHBondContact O-N 2.99Å; V138-W140 PolarHBondContact O-N 3.33Å; V138-C141 WeakPolarHBondContact O-CB 3.36Å; V138-C141 PolarHBondContact O-N 3.33Å; V138-M142 HydrophobicContact CG1-CE 4.28Å; V138-M142 WeakPolarHBondContact O-CG 3.33Å; V138-M142 PolarHBondContact O-N 2.94Å
139N97.6Very high95Very high95 Ų9572.1 Ų72.151%0.50834%0.34SS..Hα-helixtrans-61.1-43.1175.7-73.3-20.2000112.2A135 S136 I137 C141 M142 K143A135-N139 WeakPolarHBondContact O-CB 3.45Å; A135-N139 PolarHBondContact O-N 3.18Å; A135-N139 PolarHBondContact O-ND2 3.28Å; S136-N139 PolarHBondContact O-N 2.85Å; I137-N139 VanDerWaalsContact C-N 3.33Å; I137-N139 PolarHBondContact O-N 3.36Å; N139-C141 VanDerWaalsContact C-N 3.35Å; N139-M142 HydrophobicContact CB-CE 4.44Å; N139-M142 PolarHBondContact O-N 2.89Å; N139-M142 WeakPolarHBondContact OD1-CE 3.32Å; N139-K143 PolarHBondContact O-N 3.43Å
140W97.5Very high95.4Very high14 Ų1469.1 Ų69.15%0.05333%0.327CS..Hα-helixtrans-60.5-45.6173.3-176.497.2000111.3F83 L96 V99 S100 V103 V117 S136 I137 V138 M142 K143 E144 V146F83-W140 HydrophobicContact CD2-CH2 4.45Å; F83-W140 HydrophobicContact CE2-CH2 4.39Å; L96-W140 HydrophobicContact CB-CD2 3.8Å; L96-W140 HydrophobicContact CB-CE3 4.29Å; L96-W140 HydrophobicContact CB-CG 4.07Å; L96-W140 HydrophobicContact CB-CZ2 4.09Å; L96-W140 HydrophobicContact CD1-CD2 4.06Å; L96-W140 HydrophobicContact CD1-CE3 3.92Å; L96-W140 HydrophobicContact CD1-CG 4.34Å; L96-W140 HydrophobicContact CD1-CZ3 4.5Å; L96-W140 HydrophobicContact CD2-CD2 4.47Å; L96-W140 HydrophobicContact CD2-CE3 4.12Å; L96-W140 HydrophobicContact CD2-CH2 3.98Å; L96-W140 HydrophobicContact CD2-CZ2 4.3Å; L96-W140 HydrophobicContact CD2-CZ3 3.89Å; L96-W140 HydrophobicContact CG-CD2 4.34Å; L96-W140 HydrophobicContact CG-CE3 4.35Å; L96-W140 VanDerWaalsContact O-CE2 3.3Å; L96-W140 WeakPolarHBondContact O-CZ2 3.19Å; L96-W140 PolarHBondContact O-NE1 3.37Å; L96-W140 VanDerWaalsContact O-NE1 3.12Å; V99-W140 HydrophobicContact CG2-CZ2 4.24Å; S100-W140 PolarHBondContact OG-NE1 3.35Å; V103-W140 HydrophobicContact CG2-CH2 4.49Å; V117-W140 HydrophobicContact CG2-CE3 4.22Å; V117-W140 HydrophobicContact CG2-CZ3 3.76Å; S136-W140 PolarHBondContact O-N 3.46Å; I137-W140 PolarHBondContact O-N 3.35Å; V138-W140 PolarHBondContact O-N 3.33Å; W140-M142 VanDerWaalsContact C-N 3.32Å; W140-M142 PolarHBondContact O-N 3.05Å; W140-K143 PolarHBondContact O-N 2.9Å; W140-K143 VanDerWaalsContact O-N 3.17Å; W140-E144 HydrophobicContact CD2-CG 3.83Å; W140-E144 HydrophobicContact CE3-CB 4.44Å; W140-E144 HydrophobicContact CE3-CG 4.17Å; W140-E144 HydrophobicContact CG-CG 4.45Å; W140-E144 HydrophobicContact CH2-CB 4.22Å; W140-E144 HydrophobicContact CH2-CG 3.96Å; W140-E144 HydrophobicContact CZ2-CB 4.37Å; W140-E144 HydrophobicContact CZ2-CG 3.61Å; W140-E144 HydrophobicContact CZ3-CB 4.25Å; W140-E144 HydrophobicContact CZ3-CG 4.22Å; W140-E144 PolarHBondContact O-N 2.86Å; W140-V146 HydrophobicContact CH2-CG2 4.5Å; W140-V146 HydrophobicContact CZ3-CB 4.25Å; W140-V146 HydrophobicContact CZ3-CG1 4.5Å; W140-V146 HydrophobicContact CZ3-CG2 4.21Å
141C97.5Very high95.6Very high4 Ų467.2 Ų67.23%0.02732%0.32CS..Hα-helixtrans-58.6-43178.2-66.60000112.2V117 I137 V138 N139 K145 V146 C148V117-C141 VanDerWaalsContact CB-SG 3.59Å; V117-C141 WeakPolarHBondContact CG2-SG 2.93Å; I137-C141 PolarHBondContact O-N 3.31Å; I137-C141 PolarHBondContact O-SG 2.91Å; V138-C141 WeakPolarHBondContact O-CB 3.36Å; V138-C141 PolarHBondContact O-N 3.33Å; N139-C141 VanDerWaalsContact C-N 3.35Å; C141-K145 WeakPolarHBondContact O-CA 3.5Å; C141-K145 PolarHBondContact O-N 3.08Å; C141-V146 CarbonylContact C-O 3.46Å; C141-V146 WeakPolarHBondContact CB-O 3.41Å; C141-V146 PolarHBondContact O-N 3.19Å; C141-C148 HydrophobicContact CB-CB 4.11Å
142M97Very high95.9Very high119 Ų11964.3 Ų64.359%0.58631%0.308SS*.Hα-helixtrans-63.3-44.6176.2-70.5-171.5-65.500112V138 N139 W140 K145V138-M142 HydrophobicContact CG1-CE 4.28Å; V138-M142 WeakPolarHBondContact O-CG 3.33Å; V138-M142 PolarHBondContact O-N 2.94Å; N139-M142 HydrophobicContact CB-CE 4.44Å; N139-M142 PolarHBondContact O-N 2.89Å; N139-M142 WeakPolarHBondContact OD1-CE 3.32Å; W140-M142 VanDerWaalsContact C-N 3.32Å; W140-M142 PolarHBondContact O-N 3.05Å; M142-K145 PolarHBondContact O-N 3.24Å
143K96.5Very high96Very high158 Ų15856 Ų5669%0.68727%0.272SS*.Hα-helixtrans-60.6-47.3178.8179.5-173.8169.6-167.20111.8N139 W140 K145N139-K143 PolarHBondContact O-N 3.43Å; W140-K143 PolarHBondContact O-N 2.9Å; W140-K143 VanDerWaalsContact O-N 3.17Å; K143-K145 VanDerWaalsContact C-N 3.26Å; K143-K145 PolarHBondContact O-N 2.97Å
144E94.7Very high96.1Very high28 Ų2858.8 Ų58.813%0.13128%0.279CS..THydrogen-bonded Turntrans-83.90.8-177.9-58-61.5163.100113.4S100 W140 V146S100-E144 WeakPolarHBondContact CB-OE1 3.42Å; S100-E144 PolarHBondContact OG-OE1 3.37Å; W140-E144 HydrophobicContact CD2-CG 3.83Å; W140-E144 HydrophobicContact CE3-CB 4.44Å; W140-E144 HydrophobicContact CE3-CG 4.17Å; W140-E144 HydrophobicContact CG-CG 4.45Å; W140-E144 HydrophobicContact CH2-CB 4.22Å; W140-E144 HydrophobicContact CH2-CG 3.96Å; W140-E144 HydrophobicContact CZ2-CB 4.37Å; W140-E144 HydrophobicContact CZ2-CG 3.61Å; W140-E144 HydrophobicContact CZ3-CB 4.25Å; W140-E144 HydrophobicContact CZ3-CG 4.22Å; W140-E144 PolarHBondContact O-N 2.86Å; E144-V146 HydrophobicContact CB-CG2 3.87Å; E144-V146 PolarHBondContact O-N 3.09Å
145K93.7Very high96.1Very high192 Ų19258.3 Ų58.384%0.83528%0.284SS*.THydrogen-bonded Turntrans55.936-176-54.8175.8-176.41740112.8C141 M142 K143C141-K145 WeakPolarHBondContact O-CA 3.5Å; C141-K145 PolarHBondContact O-N 3.08Å; M142-K145 PolarHBondContact O-N 3.24Å; K143-K145 VanDerWaalsContact C-N 3.26Å; K143-K145 PolarHBondContact O-N 2.97Å
146V95.1Very high96.1Very high11 Ų1160 Ų607%0.06729%0.288CS..  trans-99.7137.2178.2178.20000109.2F115 V117 W140 C141 E144F115-V146 HydrophobicContact CB-CG1 4Å; F115-V146 HydrophobicContact CB-CG2 3.91Å; V117-V146 HydrophobicContact CG2-CG1 3.79Å; W140-V146 HydrophobicContact CH2-CG2 4.5Å; W140-V146 HydrophobicContact CZ3-CB 4.25Å; W140-V146 HydrophobicContact CZ3-CG1 4.5Å; W140-V146 HydrophobicContact CZ3-CG2 4.21Å; C141-V146 CarbonylContact C-O 3.46Å; C141-V146 WeakPolarHBondContact CB-O 3.41Å; C141-V146 PolarHBondContact O-N 3.19Å; E144-V146 HydrophobicContact CB-CG2 3.87Å; E144-V146 PolarHBondContact O-N 3.09Å
147R95.5Very high96Very high120 Ų12066.3 Ų66.345%0.45331%0.309SS..EExtended strand (participates in β ladder)trans-80.6138177.5-176.6172.5-176.9152.50.6110.6L116 V117 F149L116-R147 WeakPolarHBondContact CA-O 3.49Å; L116-R147 HydrophobicContact CD2-CB 3.71Å; L116-R147 HydrophobicContact CD2-CG 4.33Å; V117-R147 PolarHBondContact N-O 3.38Å; R147-F149 HydrophobicContact CG-CD2 4.37Å; R147-F149 HydrophobicContact CG-CE2 3.78Å; R147-F149 HydrophobicContact CG-CZ 4.2Å; R147-F149 VanDerWaalsContact NE-CZ 3.27Å
148C96.5Very high95.9Very high35 Ų3567.2 Ų67.224%0.23632%0.316CS..EExtended strand (participates in β ladder)trans-109.8140.1-179.3-178.90000111.1V117 V119 C141V117-C148 CarbonylContact O-C 3.53Å; V117-C148 WeakPolarHBondContact O-CA 3.09Å; V119-C148 WeakPolarHBondContact CG2-SG 3.45Å; C141-C148 HydrophobicContact CB-CB 4.11Å
149F97.4Very high95.9Very high11 Ų1165.4 Ų65.45%0.04831%0.306CS..EExtended strand (participates in β ladder)trans-128.9131172.8-69.8-90.5000110.4L116 V117 L118 V119 R147 V151 E161 P162 Y165L116-F149 HydrophobicContact CD1-CD2 4.23Å; L116-F149 HydrophobicContact CD1-CE2 3.92Å; L116-F149 HydrophobicContact CD2-CD2 4.3Å; L116-F149 HydrophobicContact CD2-CE2 3.79Å; L116-F149 HydrophobicContact CG-CE2 4.48Å; V117-F149 PolarHBondContact O-N 3.4Å; L118-F149 CarbonylContact C-O 3.58Å; L118-F149 WeakPolarHBondContact CA-O 3.4Å; L118-F149 HydrophobicContact CD2-CB 4.18Å; L118-F149 HydrophobicContact CD2-CD2 4.47Å; V119-F149 PolarHBondContact N-O 2.96Å; R147-F149 HydrophobicContact CG-CD2 4.37Å; R147-F149 HydrophobicContact CG-CE2 3.78Å; R147-F149 HydrophobicContact CG-CZ 4.2Å; R147-F149 VanDerWaalsContact NE-CZ 3.27Å; F149-V151 HydrophobicContact CB-CG1 4.41Å; F149-E161 HydrophobicContact CD1-CG 4.19Å; F149-E161 HydrophobicContact CE1-CG 4.01Å; F149-P162 HydrophobicContact CB-CB 4.46Å; F149-P162 HydrophobicContact CB-CG 3.76Å; F149-P162 HydrophobicContact CD1-CG 4.18Å; F149-P162 HydrophobicContact CD2-CB 3.92Å; F149-P162 HydrophobicContact CD2-CG 4.13Å; F149-P162 HydrophobicContact CE2-CB 4.26Å; F149-P162 HydrophobicContact CG-CB 4.08Å; F149-P162 HydrophobicContact CG-CG 3.78Å; F149-Y165 HydrophobicContact CE2-CD1 4.01Å; F149-Y165 HydrophobicContact CE2-CG 4.27Å; F149-Y165 AromaticContact CZ-CD1 3.98Å; F149-Y165 HydrophobicContact CZ-CD1 3.98Å; F149-Y165 HydrophobicContact CZ-CD2 4.41Å; F149-Y165 AromaticContact CZ-CG 3.76Å; F149-Y165 HydrophobicContact CZ-CG 3.76Å
150K95.9Very high95.8Very high81 Ų8161.4 Ų61.435%0.35229%0.286SS..EExtended strand (participates in β ladder)trans-72.1131.8163.8-72.1-174.1177.1-177.80108.7V119 C122 E127 Y134V119-K150 WeakPolarHBondContact O-CA 3.29Å; C122-K150 HydrophobicContact CB-CD 4.06Å; C122-K150 HydrophobicContact CB-CG 4.33Å; E127-K150 IonicContact OE1-NZ 2.64Å; E127-K150 PolarHBondContact OE1-NZ 2.85Å; Y134-K150 HydrophobicContact CE2-CD 4.09Å; Y134-K150 HydrophobicContact CE2-CG 3.73Å; Y134-K150 VanDerWaalsContact OH-CE 3.28Å; Y134-K150 WeakPolarHBondContact OH-CE 3.41Å
151V96.8Very high95.7Very high6 Ų665.8 Ų65.84%0.03631%0.307CS..EExtended strand (participates in β ladder)trans-129.4143.8179.5-63.60000112I20 L118 V119 N120 F149 S158 P162I20-V151 HydrophobicContact CD1-CG2 3.75Å; I20-V151 HydrophobicContact CG1-CG2 4.29Å; L118-V151 HydrophobicContact CB-CG1 4.29Å; L118-V151 HydrophobicContact CB-CG2 3.97Å; L118-V151 HydrophobicContact CD2-CG1 4.32Å; V119-V151 PolarHBondContact O-N 3.44Å; N120-V151 HydrophobicContact CB-CG2 4.14Å; N120-V151 PolarHBondContact OD1-O 3.01Å; F149-V151 HydrophobicContact CB-CG1 4.41Å; V151-S158 WeakPolarHBondContact CA-OG 3.45Å; V151-P162 HydrophobicContact CG1-CG 3.84Å
152D95.7Very high95.5Very high45 Ų4565.7 Ų65.724%0.24131%0.306CS..  trans-124.3112.2168-173.1-17.9000109.5R154 S155 S158D152-R154 PolarHBondContact O-N 3.12Å; D152-R154 VanDerWaalsContact OD1-CB 3.29Å; D152-R154 WeakPolarHBondContact OD1-CB 3.34Å; D152-R154 WeakPolarHBondContact OD1-CG 3.36Å; D152-R154 IonicContact OD1-CZ 3.61Å; D152-R154 PolarHBondContact OD1-N 2.94Å; D152-R154 IonicContact OD1-NE 3.65Å; D152-R154 PolarHBondContact OD1-NE 3.09Å; D152-R154 IonicContact OD1-NH2 3.03Å; D152-R154 IonicContact OD2-CZ 2.71Å; D152-R154 IonicContact OD2-NE 3.35Å; D152-R154 PolarHBondContact OD2-NE 3.44Å; D152-R154 IonicContact OD2-NH2 3.73Å; D152-R154 PolarHBondContact OD2-NH2 3.46Å; D152-S155 PolarHBondContact O-N 2.91Å; D152-S158 PolarHBondContact N-OG 3.47Å
153P96.2Very high95.4Very high2 Ų260 Ų601%0.01328%0.278CS..THydrogen-bonded Turntrans-58.8-17.9178.4-20.128.6000114.5A19 I20 Q23 N120 S155A19-P153 HydrophobicContact CB-CB 3.8Å; A19-P153 HydrophobicContact CB-CG 4.08Å; I20-P153 HydrophobicContact CG1-CB 4.44Å; I20-P153 HydrophobicContact CG1-CG 3.81Å; Q23-P153 VanDerWaalsContact CB-O 3.27Å; Q23-P153 WeakPolarHBondContact CB-O 3.44Å; Q23-P153 WeakPolarHBondContact CG-O 3.39Å; Q23-P153 PolarHBondContact NE2-O 2.77Å; N120-P153 WeakPolarHBondContact OD1-CD 3.48Å; P153-S155 VanDerWaalsContact C-N 3.27Å
154R95.1Very high95.1Very high133 Ų13357.9 Ų57.950%0.50227%0.268SS..THydrogen-bonded Turntrans-77.5-15.5175-59.3166.5-67.6-170.92.7112.3Q23 C31 D152Q23-R154 PolarHBondContact NE2-O 3.23Å; C31-R154 HydrophobicContact CB-CG 4.11Å; D152-R154 PolarHBondContact O-N 3.12Å; D152-R154 VanDerWaalsContact OD1-CB 3.29Å; D152-R154 WeakPolarHBondContact OD1-CB 3.34Å; D152-R154 WeakPolarHBondContact OD1-CG 3.36Å; D152-R154 IonicContact OD1-CZ 3.61Å; D152-R154 PolarHBondContact OD1-N 2.94Å; D152-R154 IonicContact OD1-NE 3.65Å; D152-R154 PolarHBondContact OD1-NE 3.09Å; D152-R154 IonicContact OD1-NH2 3.03Å; D152-R154 IonicContact OD2-CZ 2.71Å; D152-R154 IonicContact OD2-NE 3.35Å; D152-R154 PolarHBondContact OD2-NE 3.44Å; D152-R154 IonicContact OD2-NH2 3.73Å; D152-R154 PolarHBondContact OD2-NH2 3.46Å
155S94.6Very high94.9Very high47 Ų4759.5 Ų59.533%0.32927%0.274SS..  trans-113.8105.5-178.3176.20000111.2D152 P153 K157 S158 V159D152-S155 PolarHBondContact O-N 2.91Å; P153-S155 VanDerWaalsContact C-N 3.27Å; S155-K157 PolarHBondContact O-N 3.33Å; S155-S158 WeakPolarHBondContact O-CB 3.31Å; S155-S158 PolarHBondContact O-N 3.25Å; S155-S158 PolarHBondContact OG-N 3.47Å; S155-V159 PolarHBondContact O-N 2.95Å
156L94.7Very high94.7Very high72 Ų7250.3 Ų50.338%0.37723%0.234SC..Hα-helixtrans-53.3-38174.718060.5000111.9Q23 S158 V159 A160Q23-L156 HydrophobicContact CG-CB 4.41Å; Q23-L156 HydrophobicContact CG-CD1 4.36Å; Q23-L156 WeakPolarHBondContact O-CD1 3.19Å; L156-S158 VanDerWaalsContact C-N 3.35Å; L156-S158 PolarHBondContact O-N 3.29Å; L156-V159 HydrophobicContact CD1-CG2 4.19Å; L156-V159 WeakPolarHBondContact O-CG2 3.48Å; L156-A160 WeakPolarHBondContact O-CB 3.13Å; L156-A160 PolarHBondContact O-N 3.46Å
157K94.5Very high94.1Very high178 Ų17849.9 Ų49.977%0.77423%0.231SC*.Hα-helixtrans-61.2-44176.9-177.2-179.1175.9-1760111.5S155 E161S155-K157 PolarHBondContact O-N 3.33Å; K157-E161 PolarHBondContact O-N 3.04Å
158S95.4Very high93.5Very high23 Ų2347.1 Ų47.116%0.16123%0.228CC..Hα-helixtrans-66.6-48.2-179.8-1790000111.6V151 D152 S155 L156 A160 E161 P162V151-S158 WeakPolarHBondContact CA-OG 3.45Å; D152-S158 PolarHBondContact N-OG 3.47Å; S155-S158 WeakPolarHBondContact O-CB 3.31Å; S155-S158 PolarHBondContact O-N 3.25Å; S155-S158 PolarHBondContact OG-N 3.47Å; L156-S158 VanDerWaalsContact C-N 3.35Å; L156-S158 PolarHBondContact O-N 3.29Å; S158-A160 VanDerWaalsContact C-N 3.32Å; S158-A160 PolarHBondContact O-N 3.34Å; S158-E161 PolarHBondContact O-N 2.72Å; S158-P162 WeakPolarHBondContact O-CD 3.35Å
159V96.3Very high92.9Very high0 Ų050.4 Ų50.40%024%0.238CC..Hα-helixtrans-70.6-26.1179.3-61.50000113.3I20 Q23 F24 S155 L156 P162 F163I20-V159 HydrophobicContact CB-CG1 4.46Å; I20-V159 HydrophobicContact CG1-CG1 4.46Å; I20-V159 HydrophobicContact CG2-CB 4.24Å; I20-V159 HydrophobicContact CG2-CG1 4.04Å; Q23-V159 HydrophobicContact CB-CG2 4.1Å; Q23-V159 HydrophobicContact CG-CG2 3.63Å; F24-V159 HydrophobicContact CB-CB 4.44Å; F24-V159 HydrophobicContact CB-CG2 4Å; S155-V159 PolarHBondContact O-N 2.95Å; L156-V159 HydrophobicContact CD1-CG2 4.19Å; L156-V159 WeakPolarHBondContact O-CG2 3.48Å; V159-P162 WeakPolarHBondContact O-CD 3.25Å; V159-F163 WeakPolarHBondContact O-CD2 3.34Å; V159-F163 WeakPolarHBondContact O-CE2 3.22Å
160A94.9Very high92.1Very high11 Ų1153.1 Ų53.19%0.09125%0.249CC..Hα-helixtrans-75.6-22.8179.800000113.7F24 L156 S158 F163 K164F24-A160 HydrophobicContact CD2-CB 4.13Å; F24-A160 HydrophobicContact CE2-CB 4.15Å; L156-A160 WeakPolarHBondContact O-CB 3.13Å; L156-A160 PolarHBondContact O-N 3.46Å; S158-A160 VanDerWaalsContact C-N 3.32Å; S158-A160 PolarHBondContact O-N 3.34Å; A160-F163 PolarHBondContact O-N 3.2Å; A160-K164 WeakPolarHBondContact O-CG 3.31Å; A160-K164 PolarHBondContact O-N 3.05Å
161E94.8Very high91.3Very high106 Ų10651.1 Ų51.150%0.49524%0.24SC..Hα-helixtrans-61.3-48.1-175.3-176.4-176.5163.700113.8F149 K157 S158 F163 K164 Y165F149-E161 HydrophobicContact CD1-CG 4.19Å; F149-E161 HydrophobicContact CE1-CG 4.01Å; K157-E161 PolarHBondContact O-N 3.04Å; S158-E161 PolarHBondContact O-N 2.72Å; E161-F163 VanDerWaalsContact C-N 3.33Å; E161-F163 PolarHBondContact O-N 2.82Å; E161-K164 PolarHBondContact O-N 2.84Å; E161-Y165 PolarHBondContact O-N 3.04Å
162P95.2Very high90.1Very high1 Ų157.7 Ų57.71%0.00628%0.275CS..Hα-helixtrans-59.1-41.8175.5-19.628.9000112.7L116 L118 F149 V151 S158 V159 Y165 L166L116-P162 HydrophobicContact CD1-CB 4.08Å; L118-P162 HydrophobicContact CD2-CB 3.53Å; L118-P162 HydrophobicContact CD2-CG 3.52Å; F149-P162 HydrophobicContact CB-CB 4.46Å; F149-P162 HydrophobicContact CB-CG 3.76Å; F149-P162 HydrophobicContact CD1-CG 4.18Å; F149-P162 HydrophobicContact CD2-CB 3.92Å; F149-P162 HydrophobicContact CD2-CG 4.13Å; F149-P162 HydrophobicContact CE2-CB 4.26Å; F149-P162 HydrophobicContact CG-CB 4.08Å; F149-P162 HydrophobicContact CG-CG 3.78Å; V151-P162 HydrophobicContact CG1-CG 3.84Å; S158-P162 WeakPolarHBondContact O-CD 3.35Å; V159-P162 WeakPolarHBondContact O-CD 3.25Å; P162-Y165 WeakPolarHBondContact O-CB 3.38Å; P162-Y165 PolarHBondContact O-N 2.97Å; P162-L166 WeakPolarHBondContact O-CG 3.32Å; P162-L166 PolarHBondContact O-N 3.33Å
163F93.4Very high88.3Confident1 Ų155.9 Ų55.90%0.00427%0.266CS..Hα-helixtrans-69.1-38.4179.8-60.9-76.5000112I20 L21 F24 L56 L58 L82 V159 A160 E161 Y165 L166 V167 F178I20-F163 HydrophobicContact CG2-CE2 4.42Å; L21-F163 HydrophobicContact CD2-CZ 4.21Å; F24-F163 HydrophobicContact CB-CD2 4.26Å; F24-F163 HydrophobicContact CB-CE2 3.87Å; F24-F163 HydrophobicContact CD1-CD1 4.16Å; F24-F163 AromaticContact CD1-CD2 3.54Å; F24-F163 HydrophobicContact CD1-CD2 3.54Å; F24-F163 HydrophobicContact CD1-CE1 4.14Å; F24-F163 AromaticContact CD1-CE2 3.55Å; F24-F163 HydrophobicContact CD1-CE2 3.55Å; F24-F163 AromaticContact CD1-CG 3.88Å; F24-F163 HydrophobicContact CD1-CG 3.88Å; F24-F163 AromaticContact CD1-CZ 3.86Å; F24-F163 HydrophobicContact CD1-CZ 3.86Å; F24-F163 HydrophobicContact CD2-CB 4.44Å; F24-F163 AromaticContact CD2-CD2 3.46Å; F24-F163 HydrophobicContact CD2-CD2 3.46Å; F24-F163 VanDerWaalsContact CD2-CD2 3.46Å; F24-F163 AromaticContact CD2-CE2 3.98Å; F24-F163 HydrophobicContact CD2-CE2 3.98Å; F24-F163 HydrophobicContact CD2-CG 4.15Å; F24-F163 HydrophobicContact CE1-CB 3.92Å; F24-F163 AromaticContact CE1-CD1 3.75Å; F24-F163 HydrophobicContact CE1-CD1 3.75Å; F24-F163 AromaticContact CE1-CD2 3.64Å; F24-F163 HydrophobicContact CE1-CD2 3.64Å; F24-F163 HydrophobicContact CE1-CE1 4.14Å; F24-F163 HydrophobicContact CE1-CE2 4.07Å; F24-F163 AromaticContact CE1-CG 3.48Å; F24-F163 HydrophobicContact CE1-CG 3.48Å; F24-F163 VanDerWaalsContact CE1-CG 3.48Å; F24-F163 HydrophobicContact CE1-CZ 4.3Å; F24-F163 HydrophobicContact CE2-CB 3.65Å; F24-F163 AromaticContact CE2-CD2 3.56Å; F24-F163 HydrophobicContact CE2-CD2 3.56Å; F24-F163 HydrophobicContact CE2-CE2 4.45Å; F24-F163 AromaticContact CE2-CG 3.79Å; F24-F163 HydrophobicContact CE2-CG 3.79Å; F24-F163 AromaticContact CG-CD2 3.45Å; F24-F163 HydrophobicContact CG-CD2 3.45Å; F24-F163 VanDerWaalsContact CG-CD2 3.45Å; F24-F163 AromaticContact CG-CE2 3.5Å; F24-F163 HydrophobicContact CG-CE2 3.5Å; F24-F163 VanDerWaalsContact CG-CE2 3.5Å; F24-F163 HydrophobicContact CG-CG 4.19Å; F24-F163 HydrophobicContact CG-CZ 4.24Å; F24-F163 HydrophobicContact CZ-CB 3.35Å; F24-F163 HydrophobicContact CZ-CD1 4.11Å; F24-F163 AromaticContact CZ-CD2 3.65Å; F24-F163 HydrophobicContact CZ-CD2 3.65Å; F24-F163 HydrophobicContact CZ-CE2 4.49Å; F24-F163 AromaticContact CZ-CG 3.44Å; F24-F163 HydrophobicContact CZ-CG 3.44Å; F24-F163 VanDerWaalsContact CZ-CG 3.44Å; L56-F163 HydrophobicContact CD2-CD1 3.77Å; L56-F163 HydrophobicContact CD2-CE1 4.33Å; L58-F163 HydrophobicContact CD2-CD1 4.13Å; L58-F163 HydrophobicContact CD2-CE1 3.48Å; L58-F163 VanDerWaalsContact CD2-CE1 3.48Å; L58-F163 HydrophobicContact CD2-CZ 4.28Å; L82-F163 HydrophobicContact CD1-CD1 4.36Å; L82-F163 HydrophobicContact CD1-CE1 3.43Å; L82-F163 VanDerWaalsContact CD1-CE1 3.43Å; L82-F163 HydrophobicContact CD1-CZ 3.79Å; V159-F163 WeakPolarHBondContact O-CD2 3.34Å; V159-F163 WeakPolarHBondContact O-CE2 3.22Å; A160-F163 PolarHBondContact O-N 3.2Å; E161-F163 VanDerWaalsContact C-N 3.33Å; E161-F163 PolarHBondContact O-N 2.82Å; F163-Y165 VanDerWaalsContact C-N 3.29Å; F163-Y165 PolarHBondContact O-N 2.87Å; F163-L166 HydrophobicContact CD1-CD1 4.39Å; F163-L166 WeakPolarHBondContact O-CB 3.13Å; F163-L166 PolarHBondContact O-N 3.07Å; F163-V167 WeakPolarHBondContact O-CG2 3.24Å; F163-V167 PolarHBondContact O-N 3.25Å; F163-F178 HydrophobicContact CB-CE1 4.47Å; F163-F178 HydrophobicContact CB-CE2 4.25Å; F163-F178 HydrophobicContact CB-CZ 3.85Å; F163-F178 WeakPolarHBondContact O-CZ 3.39Å
164K90.5Very high86.3Confident112 Ų11265 Ų6549%0.48731%0.306SS..Hα-helixtrans-57.7-44.2171-75.3178.1-179.1-176.20111.4A160 E161 V167 T168 F178A160-K164 WeakPolarHBondContact O-CG 3.31Å; A160-K164 PolarHBondContact O-N 3.05Å; E161-K164 PolarHBondContact O-N 2.84Å; K164-V167 PolarHBondContact O-N 3.06Å; K164-T168 WeakPolarHBondContact O-CB 3.15Å; K164-T168 PolarHBondContact O-N 2.87Å; K164-T168 PolarHBondContact O-OG1 2.94Å; K164-F178 HydrophobicContact CB-CE2 4.38Å; K164-F178 HydrophobicContact CG-CD2 4.31Å; K164-F178 HydrophobicContact CG-CE2 3.67Å
165Y91.1Very high84.4Confident62 Ų6265.3 Ų65.324%0.24332%0.317CS..Hα-helixtrans-60.9-45.4175.6170.6-97.5000111.9L116 F149 E161 P162 F163 V167 T168 K169L116-Y165 HydrophobicContact CD1-CD1 4.21Å; L116-Y165 HydrophobicContact CD2-CD1 3.99Å; L116-Y165 HydrophobicContact CD2-CE1 3.77Å; F149-Y165 HydrophobicContact CE2-CD1 4.01Å; F149-Y165 HydrophobicContact CE2-CG 4.27Å; F149-Y165 AromaticContact CZ-CD1 3.98Å; F149-Y165 HydrophobicContact CZ-CD1 3.98Å; F149-Y165 HydrophobicContact CZ-CD2 4.41Å; F149-Y165 AromaticContact CZ-CG 3.76Å; F149-Y165 HydrophobicContact CZ-CG 3.76Å; E161-Y165 PolarHBondContact O-N 3.04Å; P162-Y165 WeakPolarHBondContact O-CB 3.38Å; P162-Y165 PolarHBondContact O-N 2.97Å; F163-Y165 VanDerWaalsContact C-N 3.29Å; F163-Y165 PolarHBondContact O-N 2.87Å; Y165-V167 PolarHBondContact O-N 3.33Å; Y165-T168 PolarHBondContact O-N 2.9Å; Y165-K169 HydrophobicContact CE1-CD 4.19Å; Y165-K169 VanDerWaalsContact O-CB 3.31Å; Y165-K169 WeakPolarHBondContact O-CB 3.32Å; Y165-K169 PolarHBondContact O-N 3.06Å
166L88.5Confident82.7Confident0 Ų063.9 Ų63.90%031%0.307CS..Hα-helixtrans-57.8-49.5177.9-72.1-174000112.3F80 L82 V114 L116 P162 F163 K169 Y170F80-L166 HydrophobicContact CB-CD1 3.92Å; F80-L166 HydrophobicContact CD1-CB 4.03Å; F80-L166 HydrophobicContact CD1-CD1 3.76Å; F80-L166 HydrophobicContact CD1-CD2 3.33Å; F80-L166 HydrophobicContact CD1-CG 3.88Å; F80-L166 HydrophobicContact CD2-CD1 4.39Å; F80-L166 HydrophobicContact CE1-CB 3.85Å; F80-L166 HydrophobicContact CE1-CD1 4.42Å; F80-L166 HydrophobicContact CE1-CD2 3.74Å; F80-L166 HydrophobicContact CE1-CG 4.2Å; F80-L166 HydrophobicContact CG-CD1 3.76Å; F80-L166 HydrophobicContact CG-CD2 4.18Å; F80-L166 HydrophobicContact CG-CG 4.38Å; F80-L166 HydrophobicContact CZ-CB 4.25Å; L82-L166 HydrophobicContact CD2-CD1 3.95Å; V114-L166 HydrophobicContact CB-CD2 4.32Å; V114-L166 HydrophobicContact CG1-CD2 3.55Å; L116-L166 HydrophobicContact CD1-CD1 4.15Å; L116-L166 HydrophobicContact CD1-CD2 3.37Å; L116-L166 HydrophobicContact CD1-CG 3.62Å; L116-L166 HydrophobicContact CD2-CD2 4.49Å; L116-L166 HydrophobicContact CG-CD2 3.77Å; P162-L166 WeakPolarHBondContact O-CG 3.32Å; P162-L166 PolarHBondContact O-N 3.33Å; F163-L166 HydrophobicContact CD1-CD1 4.39Å; F163-L166 WeakPolarHBondContact O-CB 3.13Å; F163-L166 PolarHBondContact O-N 3.07Å; L166-K169 PolarHBondContact O-N 3.13Å; L166-Y170 PolarHBondContact O-N 3.21Å
167V83.1Confident81.3Confident1 Ų169.4 Ų69.41%0.00632%0.323CS..Hα-helixtrans-66.6-43.3-177.9170.90000111.2I47 F163 K164 Y165 K169 Y170 F171 S176 F178I47-V167 HydrophobicContact CD1-CG1 4.42Å; I47-V167 HydrophobicContact CD1-CG2 3.54Å; I47-V167 HydrophobicContact CG1-CG2 4.26Å; I47-V167 HydrophobicContact CG2-CG1 3.52Å; I47-V167 HydrophobicContact CG2-CG2 4.39Å; F163-V167 WeakPolarHBondContact O-CG2 3.24Å; F163-V167 PolarHBondContact O-N 3.25Å; K164-V167 PolarHBondContact O-N 3.06Å; Y165-V167 PolarHBondContact O-N 3.33Å; V167-K169 VanDerWaalsContact C-N 3.3Å; V167-K169 PolarHBondContact O-N 3.46Å; V167-Y170 PolarHBondContact O-N 3.44Å; V167-F171 HydrophobicContact CB-CD2 4.4Å; V167-F171 HydrophobicContact CG1-CD2 3.57Å; V167-F171 HydrophobicContact CG1-CE2 3.91Å; V167-F171 WeakPolarHBondContact O-CD2 3.46Å; V167-F171 PolarHBondContact O-N 3.31Å; V167-S176 WeakPolarHBondContact CG1-OG 3.48Å; V167-F178 HydrophobicContact CB-CZ 3.99Å; V167-F178 HydrophobicContact CG2-CE1 3.58Å; V167-F178 HydrophobicContact CG2-CZ 3.4Å; V167-F178 VanDerWaalsContact CG2-CZ 3.4Å
168T83.8Confident80.2Confident62 Ų6263.1 Ų63.138%0.3830%0.296SS..Hα-helixtrans-57.5-44.9173.9-57.50000111K164 Y165 Y170 N172 A173K164-T168 WeakPolarHBondContact O-CB 3.15Å; K164-T168 PolarHBondContact O-N 2.87Å; K164-T168 PolarHBondContact O-OG1 2.94Å; Y165-T168 PolarHBondContact O-N 2.9Å; T168-Y170 PolarHBondContact O-N 3.42Å; T168-N172 VanDerWaalsContact O-CA 3.31Å; T168-N172 WeakPolarHBondContact O-CA 3.23Å; T168-N172 PolarHBondContact O-N 3.44Å; T168-A173 WeakPolarHBondContact CG2-O 3.42Å
169K83.3Confident78.6Confident105 Ų10564 Ų6446%0.45730%0.302SS..Hα-helixtrans-66.5-36-179.1-176.4169.9178.5-179.50112.7V114 Y165 L166 V167V114-K169 HydrophobicContact CG1-CD 4.19Å; V114-K169 HydrophobicContact CG2-CD 3.89Å; Y165-K169 HydrophobicContact CE1-CD 4.19Å; Y165-K169 VanDerWaalsContact O-CB 3.31Å; Y165-K169 WeakPolarHBondContact O-CB 3.32Å; Y165-K169 PolarHBondContact O-N 3.06Å; L166-K169 PolarHBondContact O-N 3.13Å; V167-K169 VanDerWaalsContact C-N 3.3Å; V167-K169 PolarHBondContact O-N 3.46Å
170Y81.3Confident76.7Confident68 Ų6868 Ų6827%0.26732%0.323SS..Hα-helixtrans-82.3-42.5-176.9-168.5-81.6000112.9L5 F80 L166 V167 T168L5-Y170 HydrophobicContact CD1-CD1 4.05Å; L5-Y170 HydrophobicContact CD1-CE1 4.49Å; L5-Y170 HydrophobicContact CD1-CG 4.25Å; L5-Y170 HydrophobicContact CD2-CD1 3.78Å; L5-Y170 HydrophobicContact CD2-CD2 3.88Å; L5-Y170 HydrophobicContact CD2-CE1 3.51Å; L5-Y170 HydrophobicContact CD2-CE2 3.57Å; L5-Y170 HydrophobicContact CD2-CG 3.98Å; L5-Y170 HydrophobicContact CG-CD1 4.49Å; L5-Y170 HydrophobicContact CG-CE1 4.46Å; F80-Y170 HydrophobicContact CE1-CD2 4.42Å; F80-Y170 HydrophobicContact CE2-CD2 4.43Å; F80-Y170 AromaticContact CZ-CD2 3.73Å; F80-Y170 HydrophobicContact CZ-CD2 3.73Å; F80-Y170 AromaticContact CZ-CG 4Å; F80-Y170 HydrophobicContact CZ-CG 4Å; L166-Y170 PolarHBondContact O-N 3.21Å; V167-Y170 PolarHBondContact O-N 3.44Å; T168-Y170 PolarHBondContact O-N 3.42Å
171F79Confident74.7Confident38 Ų3870.3 Ų70.317%0.16734%0.337CS..Hα-helixtrans-90.2-7.2-177.3-64.1-65.4000114L5 I47 H49 D54 V167 A173L5-F171 HydrophobicContact CD1-CE1 4.45Å; L5-F171 HydrophobicContact CD1-CE2 3.45Å; L5-F171 VanDerWaalsContact CD1-CE2 3.45Å; L5-F171 HydrophobicContact CD1-CZ 3.4Å; L5-F171 VanDerWaalsContact CD1-CZ 3.4Å; L5-F171 HydrophobicContact CG-CZ 4.21Å; I47-F171 HydrophobicContact CD1-CE2 4.07Å; I47-F171 HydrophobicContact CG2-CE2 4.23Å; H49-F171 AromaticContact CE1-CD1 3.3Å; H49-F171 WeakPolarHBondContact CE1-CD1 3.06Å; H49-F171 AromaticContact CE1-CE1 3.78Å; H49-F171 AromaticContact CE1-CG 3.54Å; H49-F171 AromaticContact ND1-CG 3.94Å; H49-F171 AromaticContact NE2-CD1 3.36Å; H49-F171 WeakPolarHBondContact NE2-CD1 3.23Å; H49-F171 AromaticContact NE2-CD2 3.89Å; H49-F171 AromaticContact NE2-CE1 3.37Å; H49-F171 WeakPolarHBondContact NE2-CE1 3.48Å; H49-F171 AromaticContact NE2-CE2 3.89Å; H49-F171 AromaticContact NE2-CG 3.63Å; H49-F171 AromaticContact NE2-CZ 3.63Å; D54-F171 HydrophobicContact CB-CE1 4.3Å; D54-F171 HydrophobicContact CB-CZ 3.72Å; D54-F171 WeakPolarHBondContact OD2-CE1 3.44Å; D54-F171 WeakPolarHBondContact OD2-CZ 3.17Å; V167-F171 HydrophobicContact CB-CD2 4.4Å; V167-F171 HydrophobicContact CG1-CD2 3.57Å; V167-F171 HydrophobicContact CG1-CE2 3.91Å; V167-F171 WeakPolarHBondContact O-CD2 3.46Å; V167-F171 PolarHBondContact O-N 3.31Å; F171-A173 HydrophobicContact CB-CB 3.89Å; F171-A173 PolarHBondContact O-N 2.95Å
172N70.8Confident72.3Confident145 Ų14575 Ų7578%0.77536%0.356SS*.  trans52.321.2-166.3-64.6-44.3000113T168T168-N172 VanDerWaalsContact O-CA 3.31Å; T168-N172 WeakPolarHBondContact O-CA 3.23Å; T168-N172 PolarHBondContact O-N 3.44Å
173A58.5Low69.7Low7 Ų784.6 Ų84.66%0.05840%0.398CS..  trans-87.8127.4-176.300000109.7H49 T168 F171 D175H49-A173 HydrophobicContact CB-CB 4.29Å; T168-A173 WeakPolarHBondContact CG2-O 3.42Å; F171-A173 HydrophobicContact CB-CB 3.89Å; F171-A173 PolarHBondContact O-N 2.95Å; A173-D175 VanDerWaalsContact C-N 3.32Å
174K53.4Low67Low194 Ų19490 Ų9084%0.84344%0.435SS*.SBendtrans-72-27.5176.6-68.1-175.1179.7179.50112.5
175D55.4Low64.4Low138 Ų13893.9 Ų93.974%0.73845%0.452SS*.  trans-130.387-173.8-67.7-49.1000111.4A173A173-D175 VanDerWaalsContact C-N 3.32Å
176S59.1Low61.6Low18 Ų18100.3 Ų100.313%0.12648%0.484CS..EExtended strand (participates in β ladder)trans-107.4135.1172-51.40000111.4V167V167-S176 WeakPolarHBondContact CG1-OG 3.48Å
177R65.9Low59.2Low188 Ų188109.9 Ų109.971%0.70953%0.526SS*.EExtended strand (participates in β ladder)trans-115.8138.9177.4-66.4-176.1-68.2179.1-2109.9D48D48-R177 PolarHBondContact N-O 3.33Å; D48-R177 PolarHBondContact O-N 3.34Å
178F69.9Low57Low46 Ų46115.9 Ų115.920%0.20256%0.563CS.*EExtended strand (participates in β ladder)trans-96129.9170.1-61.1-80.5000108.7F24 V45 H46 I47 F163 K164 V167F24-F178 HydrophobicContact CE2-CD2 4.15Å; F24-F178 HydrophobicContact CE2-CE2 4.35Å; F24-F178 HydrophobicContact CE2-CG 4.23Å; F24-F178 AromaticContact CZ-CD1 3.78Å; F24-F178 HydrophobicContact CZ-CD1 3.78Å; F24-F178 HydrophobicContact CZ-CD2 4.16Å; F24-F178 AromaticContact CZ-CE1 3.82Å; F24-F178 HydrophobicContact CZ-CE1 3.82Å; F24-F178 HydrophobicContact CZ-CE2 4.22Å; F24-F178 AromaticContact CZ-CG 3.93Å; F24-F178 HydrophobicContact CZ-CG 3.93Å; F24-F178 HydrophobicContact CZ-CZ 4.05Å; V45-F178 HydrophobicContact CG1-CB 4.11Å; V45-F178 HydrophobicContact CG1-CD1 3.81Å; V45-F178 HydrophobicContact CG1-CG 4.37Å; H46-F178 WeakPolarHBondContact O-CA 3.24Å; I47-F178 HydrophobicContact CD1-CE1 4.23Å; I47-F178 HydrophobicContact CG1-CD1 3.93Å; I47-F178 HydrophobicContact CG1-CE1 3.76Å; F163-F178 HydrophobicContact CB-CE1 4.47Å; F163-F178 HydrophobicContact CB-CE2 4.25Å; F163-F178 HydrophobicContact CB-CZ 3.85Å; F163-F178 WeakPolarHBondContact O-CZ 3.39Å; K164-F178 HydrophobicContact CB-CE2 4.38Å; K164-F178 HydrophobicContact CG-CD2 4.31Å; K164-F178 HydrophobicContact CG-CE2 3.67Å; V167-F178 HydrophobicContact CB-CZ 3.99Å; V167-F178 HydrophobicContact CG2-CE1 3.58Å; V167-F178 HydrophobicContact CG2-CZ 3.4Å; V167-F178 VanDerWaalsContact CG2-CZ 3.4Å
179S62Low54.6Low42 Ų42119.4 Ų119.429%0.29459%0.587SS.*EExtended strand (participates in β ladder)trans-99.4122167.571.80000108.7H46H46-S179 WeakPolarHBondContact CB-OG 3.49Å; H46-S179 PolarHBondContact O-N 2.98Å; H46-S179 VanDerWaalsContact O-N 3.08Å
180L56.1Low52.2Low83 Ų83117.6 Ų117.644%0.43560%0.598SS.*PPolyproline II helixtrans-61.2135.8171.7-70164.7000109.1F24 A25 K182F24-L180 VanDerWaalsContact O-CD2 3.27Å; F24-L180 WeakPolarHBondContact O-CD2 3.31Å; A25-L180 WeakPolarHBondContact O-CD2 3.31Å; L180-K182 PolarHBondContact O-N 3.02Å
181P53.7Low50Low59 Ų59118.7 Ų118.738%0.38362%0.621SS.*PPolyproline II helixtrans-56.4126168.3-1831.3000109.1A25 I44 K183A25-P181 WeakPolarHBondContact O-CD 3.38Å; I44-P181 VanDerWaalsContact O-CG 3.23Å; I44-P181 WeakPolarHBondContact O-CG 3.5Å; P181-K183 PolarHBondContact O-N 2.89Å
182K43.4Very low47.8Very low205 Ų205122 Ų12289%0.89166%0.656SS**PPolyproline II helixtrans-63.2121.6165.6-68.1-177.7179.4179.60107L180 S184L180-K182 PolarHBondContact O-N 3.02Å; K182-S184 PolarHBondContact O-N 3.21Å
183K41.1Very low46.3Very low203 Ų203122.4 Ų122.488%0.88366%0.656SS**  trans-36.2110.4177.1-84.1-175.7172.5-179.30111.3P181P181-K183 PolarHBondContact O-N 2.89Å
184S36.2Very low44.9Very low113 Ų113128.5 Ų128.579%0.7969%0.687SS**  trans-72124.4151.855.50000106.7K182 E186K182-S184 PolarHBondContact O-N 3.21Å; S184-E186 PolarHBondContact O-N 3.23Å
185K37.3Very low44.2Very low194 Ų194126.1 Ų126.184%0.84368%0.683SS**  trans-47.3138.2176.4-70.1179.2174-179.40110.7K187K185-K187 PolarHBondContact O-N 2.62Å
186E32.1Very low42.9Very low198 Ų198126 Ų12693%0.92568%0.682SS**  trans-41.1122172.8-74.3166.7147.800110.9S184S184-E186 PolarHBondContact O-N 3.23Å
187K37.5Very low42.1Very low201 Ų201137.7 Ų137.787%0.87473%0.731SS**  trans-112.1117.7154.4-77.2-172.4176.5-1770106.5K185K185-K187 PolarHBondContact O-N 2.62Å
188T37.2Very low40.9Very low127 Ų127135.2 Ų135.278%0.77973%0.732SS**  trans-16137.1164.5-44.30000114.3G190T188-G190 PolarHBondContact O-N 2.85Å
189P33.3Very low39.4Very low136 Ų136139.8 Ų139.888%0.88376%0.76SS**  trans-66.3101.4-178.428.9-33.4000109.3
190G33.9Very low38.2Very low67 Ų67145.3 Ų145.369%0.69179%0.786SS**  trans-113.1114.1176.300000109.1T188T188-G190 PolarHBondContact O-N 2.85Å
191A34.6Very low37.1Very low90 Ų90148.9 Ų148.974%0.74481%0.806SS**  trans42108.9159.100000117.5I193A191-I193 PolarHBondContact O-N 3.27Å
192A33.3Very low36.1Very low109 Ų109154.6 Ų154.690%0.90183%0.833SS**  trans-51.3125160.200000110.4
193I38.3Very low35.6Very low152 Ų152151.2 Ų151.278%0.77983%0.829SS**  trans-106.6118.9161.3-66.6176.6000106.3A191A191-I193 PolarHBondContact O-N 3.27Å
194L30.2Very low35.2Very low136 Ų136147.5 Ų147.571%0.71283%0.825SS**  trans-59.3139.4167.8-12997.8000109.5
195L37.7Very low35.1Very low144 Ų144150.2 Ų150.275%0.75483%0.828SS**  trans-123.8105.3153.5-73.9176.1000107.8
196D29Very low34.9Very low135 Ų135146.5 Ų146.572%0.72283%0.826SS**  trans-68123.2160.1-73.7-35.6000108.7
197F42.2Very low35.2Very low263 Ų263141.8 Ų141.8100%1.15482%0.817SS**  trans-145.60151.4-71.2-70.6000108.6

Retrieved 197 of 197 residues in 372.8 ms (Link to these results)

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