A0A077Z2S3_TRITR Loading...

Gluconokinase

AlphaFold DB , UniProt , Accession A0A077Z2S3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 193 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
1M38.3Very low46.4Very low242 Ų24289.3 Ų89.3100%1.19259%0.587SS**  0109.10-159172.5108.500106.5
2A37Very low47.6Very low95 Ų9594.3 Ų94.379%0.78560%0.596SS**PPolyproline II helixtrans-70.4135.2-179.500000109.3
3L36.8Very low48.9Very low128 Ų12887.7 Ų87.767%0.6756%0.556SS**PPolyproline II helixtrans-59.9139.4172.6-78.6162.8000109.2A7L3-A7 HydrophobicContact CB-CB 3.7Å; L3-A7 HydrophobicContact CD2-CB 4.22Å; L3-A7 HydrophobicContact CG-CB 4.38Å
4P36.3Very low50.9Low97 Ų9781.6 Ų81.663%0.6352%0.517SS*.PPolyproline II helixtrans-61.2144.6-177.622.9-31.5000111.4G6 A7P4-G6 PolarHBondContact O-N 3.09Å; P4-A7 HydrophobicContact CG-CB 4.48Å; P4-A7 WeakPolarHBondContact O-CB 3.38Å; P4-A7 PolarHBondContact O-N 3.18Å
5A37.6Very low52.5Low117 Ų11782.2 Ų82.297%0.96752%0.524SS*.THydrogen-bonded Turntrans-56.9111.9175.900000109.9
6G42.3Very low54.1Low72 Ų7280.1 Ų80.174%0.74252%0.523SS*.THydrogen-bonded Turntrans115.6-7.4-169.200000114P4 V8P4-G6 PolarHBondContact O-N 3.09Å; G6-V8 PolarHBondContact O-N 3.17Å
7A43.7Very low55.8Low41 Ų4179.8 Ų79.834%0.33951%0.511SS..  trans-66.297.5166.100000109.5L3 P4 D9L3-A7 HydrophobicContact CB-CB 3.7Å; L3-A7 HydrophobicContact CD2-CB 4.22Å; L3-A7 HydrophobicContact CG-CB 4.38Å; P4-A7 HydrophobicContact CG-CB 4.48Å; P4-A7 WeakPolarHBondContact O-CB 3.38Å; P4-A7 PolarHBondContact O-N 3.18Å; A7-D9 PolarHBondContact O-N 2.97Å
8V51.6Low57.8Low52 Ų5275.3 Ų75.332%0.31548%0.483SS..  trans-51.6103.5168.4169.40000108.9G6 V10 K183G6-V8 PolarHBondContact O-N 3.17Å; V8-V10 HydrophobicContact CG1-CG2 3.72Å; V8-V10 PolarHBondContact O-N 3.42Å; V8-K183 HydrophobicContact CG1-CD 4.13Å
9D61.8Low59.8Low86 Ų8671.9 Ų71.946%0.4646%0.46SS..  trans-72.7108.6174.6-173.25.6000109.6A7 S11 H12 K183A7-D9 PolarHBondContact O-N 2.97Å; D9-S11 WeakPolarHBondContact OD1-CB 3.43Å; D9-S11 PolarHBondContact OD1-N 2.96Å; D9-S11 PolarHBondContact OD1-OG 2.89Å; D9-H12 IonicContact OD2-CD2 3.49Å; D9-H12 PolarHBondContact OD2-CD2 3.14Å; D9-K183 WeakPolarHBondContact O-CE 3.38Å; D9-K183 PolarHBondContact O-NZ 3.36Å
10V63.9Low61.7Low3 Ų368.3 Ų68.32%0.01844%0.437CS..  trans-110.1-5175-167.20000109.7V8 H12 A13 L42 C179 L182 K183V8-V10 HydrophobicContact CG1-CG2 3.72Å; V8-V10 PolarHBondContact O-N 3.42Å; V10-H12 VanDerWaalsContact C-N 3.28Å; V10-H12 PolarHBondContact O-N 3.33Å; V10-A13 HydrophobicContact CG1-CB 4.04Å; V10-A13 WeakPolarHBondContact O-CB 3.43Å; V10-A13 PolarHBondContact O-N 3.03Å; V10-L42 HydrophobicContact CB-CD2 3.49Å; V10-L42 VanDerWaalsContact CB-CD2 3.49Å; V10-L42 HydrophobicContact CG1-CD2 3.9Å; V10-L42 HydrophobicContact CG2-CD2 3.8Å; V10-C179 HydrophobicContact CG2-CB 3.95Å; V10-L182 HydrophobicContact CG1-CB 3.93Å; V10-K183 HydrophobicContact CB-CG 4.39Å; V10-K183 HydrophobicContact CG1-CG 3.98Å; V10-K183 HydrophobicContact CG2-CD 4.42Å; V10-K183 HydrophobicContact CG2-CG 4.07Å
11S61Low63.4Low49 Ų4965.2 Ų65.234%0.34342%0.417SS..Hα-helixtrans-58.7-42.3-17066.70000111.3D9 A13 I14 S15D9-S11 WeakPolarHBondContact OD1-CB 3.43Å; D9-S11 PolarHBondContact OD1-N 2.96Å; D9-S11 PolarHBondContact OD1-OG 2.89Å; S11-A13 VanDerWaalsContact C-N 3.28Å; S11-A13 PolarHBondContact O-N 3.4Å; S11-I14 PolarHBondContact O-N 3.02Å; S11-S15 WeakPolarHBondContact O-CB 3.46Å; S11-S15 PolarHBondContact O-N 3.22Å
12H61.1Low66.2Low150 Ų15053.8 Ų53.869%0.69436%0.361SS*.Hα-helixtrans-63.3-26.9174.1-71.2-62.3000114.5D9 V10 I14D9-H12 IonicContact OD2-CD2 3.49Å; D9-H12 PolarHBondContact OD2-CD2 3.14Å; V10-H12 VanDerWaalsContact C-N 3.28Å; V10-H12 PolarHBondContact O-N 3.33Å; H12-I14 VanDerWaalsContact C-N 3.33Å; H12-I14 PolarHBondContact O-N 3.39Å
13A64Low69.2Low8 Ų849.3 Ų49.37%0.06632%0.324CS..Hα-helixtrans-74.5-24.6-177.800000113.8V10 S11 K17 N186V10-A13 HydrophobicContact CG1-CB 4.04Å; V10-A13 WeakPolarHBondContact O-CB 3.43Å; V10-A13 PolarHBondContact O-N 3.03Å; S11-A13 VanDerWaalsContact C-N 3.28Å; S11-A13 PolarHBondContact O-N 3.4Å; A13-K17 WeakPolarHBondContact O-CD 3.46Å; A13-K17 WeakPolarHBondContact O-CE 3.41Å; A13-K17 PolarHBondContact O-NZ 3.29Å; A13-N186 WeakPolarHBondContact CA-ND2 3.42Å; A13-N186 PolarHBondContact O-OD1 3.47Å
14I77.5Confident72.1Confident3 Ų343.2 Ų43.22%0.01529%0.292CS..Hα-helixtrans-120.8-11.6-173.363.8174.5000113.7S11 H12 L19 L42 I44 T92 L182S11-I14 PolarHBondContact O-N 3.02Å; H12-I14 VanDerWaalsContact C-N 3.33Å; H12-I14 PolarHBondContact O-N 3.39Å; I14-L19 HydrophobicContact CB-CD1 4.14Å; I14-L19 HydrophobicContact CG2-CD1 3.92Å; I14-L42 HydrophobicContact CD1-CB 4.17Å; I14-L42 HydrophobicContact CD1-CD1 4.23Å; I14-L42 HydrophobicContact CD1-CD2 4.36Å; I14-L42 HydrophobicContact CD1-CG 4.5Å; I14-I44 HydrophobicContact CD1-CD1 3.92Å; I14-I44 HydrophobicContact CD1-CG2 3.91Å; I14-T92 HydrophobicContact CB-CG2 4.33Å; I14-T92 HydrophobicContact CD1-CG2 4.22Å; I14-T92 PolarHBondContact O-OG1 3.32Å; I14-L182 HydrophobicContact CG2-CB 4.29Å; I14-L182 HydrophobicContact CG2-CD2 4.42Å
15S74.9Confident75Confident90 Ų9038.6 Ų38.663%0.62926%0.262SS*.THydrogen-bonded Turntrans-65.8136.4-179.4-170.90000111.4S11 K17S11-S15 WeakPolarHBondContact O-CB 3.46Å; S11-S15 PolarHBondContact O-N 3.22Å; S15-K17 PolarHBondContact O-N 3.3Å; S15-K17 VanDerWaalsContact O-N 3.14Å
16G77.8Confident77.8Confident49 Ų4933.1 Ų33.151%0.50522%0.217SC..THydrogen-bonded Turntrans70.91.1176.200000116.3Q90G16-Q90 CarbonylContact C-O 3.56Å; G16-Q90 WeakPolarHBondContact CA-O 3.13Å; G16-Q90 PolarHBondContact O-OE1 3.32Å
17K82.8Confident80.3Confident74 Ų7430.9 Ų30.932%0.32219%0.19SC..SBendtrans-89.7-6.5-179.5-70.3-173.6179.4176.10114.4A13 S15 L19 N186A13-K17 WeakPolarHBondContact O-CD 3.46Å; A13-K17 WeakPolarHBondContact O-CE 3.41Å; A13-K17 PolarHBondContact O-NZ 3.29Å; S15-K17 PolarHBondContact O-N 3.3Å; S15-K17 VanDerWaalsContact O-N 3.14Å; K17-L19 VanDerWaalsContact C-N 3.26Å; K17-L19 HydrophobicContact CB-CD1 4.3Å; K17-L19 HydrophobicContact CB-CD2 3.99Å; K17-L19 HydrophobicContact CB-CG 3.72Å; K17-L19 HydrophobicContact CD-CD1 4.37Å; K17-L19 PolarHBondContact O-N 2.95Å; K17-N186 PolarHBondContact NZ-OD1 2.83Å
18G91.7Very high82.6Confident0 Ų029.1 Ų29.10%018%0.175CC..  trans56.437.1-177.700000113.8H87 Q90G18-H87 PolarHBondContact O-ND1 3.32Å; G18-Q90 PolarHBondContact N-O 2.63Å
19L96Very high84.8Confident10 Ų1026.7 Ų26.75%0.05216%0.16CC..  trans-73.6142.1-174.5-60178.3000111.6I14 K17 L21 T92 V93 T115I14-L19 HydrophobicContact CB-CD1 4.14Å; I14-L19 HydrophobicContact CG2-CD1 3.92Å; K17-L19 VanDerWaalsContact C-N 3.26Å; K17-L19 HydrophobicContact CB-CD1 4.3Å; K17-L19 HydrophobicContact CB-CD2 3.99Å; K17-L19 HydrophobicContact CB-CG 3.72Å; K17-L19 HydrophobicContact CD-CD1 4.37Å; K17-L19 PolarHBondContact O-N 2.95Å; L19-L21 HydrophobicContact CB-CD2 4.13Å; L19-T92 HydrophobicContact CB-CG2 3.83Å; L19-T92 PolarHBondContact N-OG1 2.82Å; L19-T92 VanDerWaalsContact N-OG1 3.14Å; L19-T92 CarbonylContact O-C 3.58Å; L19-T92 WeakPolarHBondContact O-CA 3.41Å; L19-V93 PolarHBondContact O-N 3.48Å; L19-T115 CarbonylContact C-O 3.51Å; L19-T115 VanDerWaalsContact CA-O 3.32Å; L19-T115 WeakPolarHBondContact CA-O 3.42Å
20T97.4Very high86.4Confident0 Ų023.1 Ų23.10%014%0.144CC..EExtended strand (participates in β ladder)trans-107.2116166.9-57.80000108.8I22 A83 V93 I95 T115 T116 W117T20-I22 HydrophobicContact CG2-CD1 4.46Å; T20-I22 HydrophobicContact CG2-CG1 4.02Å; T20-A83 HydrophobicContact CG2-CB 3.93Å; T20-V93 HydrophobicContact CG2-CG1 4.39Å; T20-I95 HydrophobicContact CG2-CD1 3.97Å; T20-T115 PolarHBondContact N-O 2.94Å; T20-T116 HydrophobicContact CG2-CG2 4.28Å; T20-T116 CarbonylContact O-C 3.42Å; T20-T116 WeakPolarHBondContact O-CA 3.18Å; T20-W117 PolarHBondContact O-N 2.77Å
21L97.7Very high88.1Confident4 Ų423.9 Ų23.92%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-104101.5179.7-49.8-177.9000109.1L19 I44 T92 V93 I94 I95 W117 F119 L182L19-L21 HydrophobicContact CB-CD2 4.13Å; L21-I44 HydrophobicContact CD1-CD1 3.96Å; L21-T92 HydrophobicContact CD1-CG2 4.26Å; L21-T92 HydrophobicContact CG-CG2 4.31Å; L21-V93 PolarHBondContact N-O 3.01Å; L21-I94 HydrophobicContact CB-CG1 4.36Å; L21-I94 HydrophobicContact CD1-CG1 4.24Å; L21-I94 CarbonylContact O-C 3.54Å; L21-I94 VanDerWaalsContact O-CA 3.3Å; L21-I94 WeakPolarHBondContact O-CA 3.3Å; L21-I95 PolarHBondContact O-N 3.21Å; L21-W117 HydrophobicContact CD2-CB 4.1Å; L21-F119 HydrophobicContact CB-CE2 4.36Å; L21-F119 HydrophobicContact CD2-CE2 4.26Å; L21-L182 HydrophobicContact CD1-CD1 3.8Å; L21-L182 HydrophobicContact CD1-CD2 4.21Å; L21-L182 HydrophobicContact CD2-CD2 3.82Å
22I98.4Very high89.8Confident2 Ų222.6 Ų22.61%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-89.9118.3-178.2-62163.5000108.7T20 M24 I95 C97 L108 V109 T116 W117 I118 F119T20-I22 HydrophobicContact CG2-CD1 4.46Å; T20-I22 HydrophobicContact CG2-CG1 4.02Å; I22-M24 HydrophobicContact CG2-CB 4.47Å; I22-I95 CarbonylContact C-O 3.6Å; I22-I95 WeakPolarHBondContact CA-O 3.45Å; I22-C97 HydrophobicContact CG2-CB 4.48Å; I22-L108 HydrophobicContact CB-CD2 4.48Å; I22-L108 HydrophobicContact CD1-CB 4.35Å; I22-L108 HydrophobicContact CD1-CD2 3.62Å; I22-L108 HydrophobicContact CD1-CG 3.63Å; I22-L108 HydrophobicContact CG1-CD2 3.91Å; I22-L108 HydrophobicContact CG1-CG 4.25Å; I22-L108 HydrophobicContact CG2-CD2 3.73Å; I22-V109 HydrophobicContact CD1-CG2 4.44Å; I22-T116 HydrophobicContact CD1-CG2 3.42Å; I22-T116 VanDerWaalsContact CD1-CG2 3.42Å; I22-T116 HydrophobicContact CG1-CG2 4.19Å; I22-W117 PolarHBondContact N-O 2.97Å; I22-I118 HydrophobicContact CB-CG1 4.29Å; I22-I118 HydrophobicContact CD1-CG1 4.05Å; I22-I118 HydrophobicContact CG2-CG2 4.48Å; I22-F119 PolarHBondContact O-N 3.48Å
23L98.7Very high91.5Very high1 Ų118.4 Ų18.41%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-90104.1166.7-56-176.2000108.5K31 I34 L38 I94 I95 C97 F119 L121 I178L23-K31 HydrophobicContact CB-CG 4.41Å; L23-K31 VanDerWaalsContact O-CD 3.23Å; L23-K31 WeakPolarHBondContact O-CD 3.41Å; L23-I34 HydrophobicContact CD1-CB 4.43Å; L23-I34 HydrophobicContact CD1-CG2 4.06Å; L23-L38 HydrophobicContact CD1-CD1 4.2Å; L23-L38 HydrophobicContact CD2-CD1 4.13Å; L23-I94 HydrophobicContact CD1-CG2 3.82Å; L23-I94 HydrophobicContact CG-CG2 3.81Å; L23-I95 PolarHBondContact N-O 3.5Å; L23-C97 PolarHBondContact O-N 3.46Å; L23-C97 VanDerWaalsContact O-O 3.05Å; L23-F119 HydrophobicContact CD2-CB 3.88Å; L23-F119 HydrophobicContact CD2-CD2 4.17Å; L23-F119 HydrophobicContact CD2-CG 4.32Å; L23-L121 HydrophobicContact CB-CD1 4.24Å; L23-I178 HydrophobicContact CD2-CD1 4.22Å
24M98Very high93.1Very high0 Ų018.2 Ų18.20%012%0.121CC..EExtended strand (participates in β ladder)trans-95.1150-179.9174.7178.2169.600111.8I22 C97 S98 A99 L100 R105 I118 F119 Y120 L121 L152 P155I22-M24 HydrophobicContact CG2-CB 4.47Å; M24-C97 VanDerWaalsContact CA-O 3.28Å; M24-C97 WeakPolarHBondContact CA-O 3.45Å; M24-S98 WeakPolarHBondContact CG-O 3.35Å; M24-A99 WeakPolarHBondContact CE-O 3.28Å; M24-A99 HydrophobicContact CG-CB 4.12Å; M24-A99 HydrophobicContact SD-CB 4.14Å; M24-L100 HydrophobicContact CE-CD2 4.31Å; M24-R105 WeakPolarHBondContact SD-CD 3.42Å; M24-R105 HydrophobicContact SD-CG 3.95Å; M24-I118 HydrophobicContact CB-CG2 3.92Å; M24-I118 HydrophobicContact SD-CG2 4.38Å; M24-F119 PolarHBondContact N-O 3.44Å; M24-Y120 HydrophobicContact CG-CD2 4.3Å; M24-L121 WeakPolarHBondContact O-CB 3.48Å; M24-L121 PolarHBondContact O-N 2.79Å; M24-L152 HydrophobicContact CE-CD1 3.74Å; M24-P155 HydrophobicContact SD-CG 4.22Å
25G97.6Very high94.1Very high0 Ų018 Ų180%012%0.121CC..  trans154.1173.316400000113.3K31G25-K31 WeakPolarHBondContact O-CE 3.36Å; G25-K31 PolarHBondContact O-NZ 3.33Å
26V96.1Very high95.2Very high2 Ų220.3 Ų20.31%0.01212%0.115CC..  trans-64.2166.8177.7-61.90000112.6G28 S29 K31 L100 V123 A128 L145 Q148 Y149 L152V26-G28 PolarHBondContact O-N 3.32Å; V26-S29 VanDerWaalsContact O-CB 3.3Å; V26-S29 WeakPolarHBondContact O-CB 3.38Å; V26-S29 PolarHBondContact O-N 2.9Å; V26-S29 PolarHBondContact O-OG 3.46Å; V26-K31 PolarHBondContact O-NZ 3.42Å; V26-L100 HydrophobicContact CG1-CD2 3.9Å; V26-V123 HydrophobicContact CG2-CG2 4.02Å; V26-A128 HydrophobicContact CG2-CB 4.35Å; V26-L145 HydrophobicContact CB-CD1 4.18Å; V26-L145 HydrophobicContact CG2-CD1 4.27Å; V26-Q148 HydrophobicContact CB-CB 4.46Å; V26-Q148 HydrophobicContact CG1-CB 4.12Å; V26-Y149 HydrophobicContact CB-CE2 4.23Å; V26-Y149 HydrophobicContact CG1-CD1 4.47Å; V26-Y149 HydrophobicContact CG1-CD2 4.18Å; V26-Y149 HydrophobicContact CG1-CE1 4.39Å; V26-Y149 HydrophobicContact CG1-CE2 4.08Å; V26-Y149 HydrophobicContact CG1-CG 4.37Å; V26-Y149 HydrophobicContact CG2-CE2 3.8Å; V26-Y149 WeakPolarHBondContact CG2-OH 3.35Å; V26-L152 HydrophobicContact CG1-CD2 4.49Å
27S93.6Very high96.2Very high25 Ų2519.4 Ų19.418%0.17510%0.103CC..THydrogen-bonded Turntrans-58137.3169.5-55.50000109.5S29 L145 Q148S27-S29 VanDerWaalsContact C-N 3.32Å; S27-S29 PolarHBondContact O-N 3.22Å; S27-L145 WeakPolarHBondContact O-CD1 3.36Å; S27-Q148 VanDerWaalsContact OG-CD 3.27Å; S27-Q148 PolarHBondContact OG-NE2 3.24Å; S27-Q148 PolarHBondContact OG-OE1 3.04Å
28G94Very high96.9Very high4 Ų416 Ų164%0.0419%0.088CC..THydrogen-bonded Turntrans84.4-6.4-175.500000115.5V26 G30 R131V26-G28 PolarHBondContact O-N 3.32Å; G28-G30 PolarHBondContact O-N 3.2Å; G28-R131 WeakPolarHBondContact O-CD 3.45Å; G28-R131 PolarHBondContact O-NH1 2.97Å
29S96.8Very high97.2Very high0 Ų017.4 Ų17.40%010%0.098CC..SBendtrans-69.6-13.7175.472.10000114.6V26 S27 L121V26-S29 VanDerWaalsContact O-CB 3.3Å; V26-S29 WeakPolarHBondContact O-CB 3.38Å; V26-S29 PolarHBondContact O-N 2.9Å; V26-S29 PolarHBondContact O-OG 3.46Å; S27-S29 VanDerWaalsContact C-N 3.32Å; S27-S29 PolarHBondContact O-N 3.22Å; S29-L121 WeakPolarHBondContact CB-O 3.27Å
30G96.4Very high97.2Very high12 Ų1224.2 Ų24.212%0.12413%0.134CC..  trans97.47.2175.500000115.6G28 S32 T33 I34G28-G30 PolarHBondContact O-N 3.2Å; G30-S32 VanDerWaalsContact C-N 3.35Å; G30-S32 PolarHBondContact O-N 2.75Å; G30-T33 PolarHBondContact O-N 3.29Å; G30-I34 WeakPolarHBondContact O-CB 3.2Å; G30-I34 PolarHBondContact O-N 3.1Å
31K98.1Very high97Very high18 Ų1827.3 Ų27.38%0.07815%0.147CC..Hα-helixtrans-39.3-55.8178.2-65.5-179-61.7-67.50114.1L23 G25 V26 T33 G35 C97 L121L23-K31 HydrophobicContact CB-CG 4.41Å; L23-K31 VanDerWaalsContact O-CD 3.23Å; L23-K31 WeakPolarHBondContact O-CD 3.41Å; G25-K31 WeakPolarHBondContact O-CE 3.36Å; G25-K31 PolarHBondContact O-NZ 3.33Å; V26-K31 PolarHBondContact O-NZ 3.42Å; K31-T33 PolarHBondContact O-N 3.02Å; K31-G35 WeakPolarHBondContact O-CA 3.2Å; K31-G35 PolarHBondContact O-N 3.26Å; K31-C97 VanDerWaalsContact CD-O 3.29Å; K31-C97 WeakPolarHBondContact CD-O 3.37Å; K31-L121 HydrophobicContact CB-CD1 4.46Å; K31-L121 HydrophobicContact CG-CD1 4.01Å
32S96.9Very high96.8Very high22 Ų2227.7 Ų27.715%0.15415%0.15CC..Hα-helixtrans-64.7-40.7-178.6-44.30000112.9G30 R36 D48G30-S32 VanDerWaalsContact C-N 3.35Å; G30-S32 PolarHBondContact O-N 2.75Å; S32-R36 WeakPolarHBondContact O-CB 3.45Å; S32-R36 VanDerWaalsContact O-CG 3.24Å; S32-R36 WeakPolarHBondContact O-CG 3.33Å; S32-R36 PolarHBondContact O-N 2.92Å; S32-D48 WeakPolarHBondContact CB-OD2 3.49Å; S32-D48 PolarHBondContact OG-OD2 3.28Å
33T97.2Very high96.6Very high63 Ų6331 Ų3139%0.38718%0.184SC..Hα-helixtrans-69.9-48.1-178.9-52.70000111.2G30 K31 A37 I171G30-T33 PolarHBondContact O-N 3.29Å; K31-T33 PolarHBondContact O-N 3.02Å; T33-A37 WeakPolarHBondContact O-CB 3.48Å; T33-A37 PolarHBondContact O-N 3.29Å; T33-I171 HydrophobicContact CG2-CD1 3.59Å; T33-I171 HydrophobicContact CG2-CG1 4.31Å; T33-I171 HydrophobicContact CG2-CG2 4.36Å
34I98.5Very high96.4Very high3 Ų332 Ų322%0.01519%0.189CC..Hα-helixtrans-67.1-41.5178-69.3156.4000110.4L23 G30 A37 L38 L121 A167 I171 V174 V175 I178L23-I34 HydrophobicContact CD1-CB 4.43Å; L23-I34 HydrophobicContact CD1-CG2 4.06Å; G30-I34 WeakPolarHBondContact O-CB 3.2Å; G30-I34 PolarHBondContact O-N 3.1Å; I34-A37 PolarHBondContact O-N 2.97Å; I34-L38 HydrophobicContact CG2-CD1 3.8Å; I34-L38 HydrophobicContact CG2-CG 4.32Å; I34-L38 WeakPolarHBondContact O-CB 3.38Å; I34-L38 WeakPolarHBondContact O-CG 3.41Å; I34-L38 PolarHBondContact O-N 2.81Å; I34-L121 HydrophobicContact CB-CD1 4.45Å; I34-L121 HydrophobicContact CD1-CD1 3.69Å; I34-L121 HydrophobicContact CD1-CD2 4.31Å; I34-A167 HydrophobicContact CD1-CB 4.47Å; I34-I171 HydrophobicContact CG1-CG2 4.26Å; I34-V174 HydrophobicContact CD1-CB 4.31Å; I34-V174 HydrophobicContact CD1-CG1 3.65Å; I34-V174 HydrophobicContact CG1-CG1 4.12Å; I34-V174 HydrophobicContact CG2-CG1 4.21Å; I34-V175 HydrophobicContact CG2-CG2 4.24Å; I34-I178 HydrophobicContact CG2-CD1 4.13Å
35G98.3Very high96.4Very high0 Ų034.4 Ų34.40%021%0.205CC..Hα-helixtrans-61.8-43.7177.800000113.2K31 S39K31-G35 WeakPolarHBondContact O-CA 3.2Å; K31-G35 PolarHBondContact O-N 3.26Å; G35-S39 VanDerWaalsContact O-CB 3.26Å; G35-S39 WeakPolarHBondContact O-CB 3.35Å; G35-S39 PolarHBondContact O-N 3.31Å
36R98.4Very high96.4Very high137 Ų13736 Ų3652%0.51721%0.212SC..Hα-helixtrans-64.9-42.2172.9-71.4175.9-166.1129.85.9112.1S32 S39 L40 F46 D48S32-R36 WeakPolarHBondContact O-CB 3.45Å; S32-R36 VanDerWaalsContact O-CG 3.24Å; S32-R36 WeakPolarHBondContact O-CG 3.33Å; S32-R36 PolarHBondContact O-N 2.92Å; R36-S39 WeakPolarHBondContact O-CB 3.32Å; R36-S39 PolarHBondContact O-N 3.2Å; R36-L40 WeakPolarHBondContact O-CG 3.32Å; R36-L40 PolarHBondContact O-N 3.42Å; R36-F46 HydrophobicContact CG-CD1 3.75Å; R36-F46 HydrophobicContact CG-CE1 3.96Å; R36-D48 IonicContact NH2-OD2 2.8Å
37A98.2Very high96.6Very high31 Ų3136.8 Ų36.826%0.25622%0.216SC..Hα-helixtrans-63.6-43.7177.800000112.1T33 I34 L40 K41 V175T33-A37 WeakPolarHBondContact O-CB 3.48Å; T33-A37 PolarHBondContact O-N 3.29Å; I34-A37 PolarHBondContact O-N 2.97Å; A37-L40 PolarHBondContact O-N 3.49Å; A37-K41 VanDerWaalsContact O-CB 3.31Å; A37-K41 WeakPolarHBondContact O-CB 3.4Å; A37-K41 PolarHBondContact O-N 2.94Å; A37-V175 HydrophobicContact CB-CG2 3.73Å
38L97.3Very high96.7Very high2 Ų236 Ų361%0.0121%0.21CC..Hα-helixtrans-63.3-43173.4-77.5168000111.5L23 I34 L40 K41 L42 I94 V175 I178L23-L38 HydrophobicContact CD1-CD1 4.2Å; L23-L38 HydrophobicContact CD2-CD1 4.13Å; I34-L38 HydrophobicContact CG2-CD1 3.8Å; I34-L38 HydrophobicContact CG2-CG 4.32Å; I34-L38 WeakPolarHBondContact O-CB 3.38Å; I34-L38 WeakPolarHBondContact O-CG 3.41Å; I34-L38 PolarHBondContact O-N 2.81Å; L38-L40 PolarHBondContact O-N 3.32Å; L38-K41 PolarHBondContact O-N 2.94Å; L38-L42 HydrophobicContact CB-CD1 4.34Å; L38-L42 HydrophobicContact CD2-CD1 4.04Å; L38-L42 WeakPolarHBondContact O-CB 3.42Å; L38-L42 VanDerWaalsContact O-CG 3.3Å; L38-L42 WeakPolarHBondContact O-CG 3.44Å; L38-L42 PolarHBondContact O-N 2.64Å; L38-I94 HydrophobicContact CB-CD1 3.55Å; L38-V175 HydrophobicContact CD2-CG1 3.94Å; L38-V175 HydrophobicContact CG-CG1 4.35Å; L38-V175 HydrophobicContact CG-CG2 4.38Å; L38-I178 HydrophobicContact CD1-CB 4.48Å; L38-I178 HydrophobicContact CD1-CD1 3.96Å; L38-I178 HydrophobicContact CD1-CG2 3.99Å; L38-I178 HydrophobicContact CD2-CB 4.23Å; L38-I178 HydrophobicContact CD2-CG2 3.96Å
39S97Very high96.9Very high30 Ų3035.9 Ų35.921%0.2121%0.208CC..Hα-helixtrans-56.7-49.3176.91760000111.9G35 R36 K41 G43 I44G35-S39 VanDerWaalsContact O-CB 3.26Å; G35-S39 WeakPolarHBondContact O-CB 3.35Å; G35-S39 PolarHBondContact O-N 3.31Å; R36-S39 WeakPolarHBondContact O-CB 3.32Å; R36-S39 PolarHBondContact O-N 3.2Å; S39-K41 PolarHBondContact O-N 3.14Å; S39-G43 WeakPolarHBondContact O-CA 3.3Å; S39-G43 PolarHBondContact O-N 3.47Å; S39-I44 VanDerWaalsContact CA-O 3.3Å; S39-I44 WeakPolarHBondContact CA-O 3.29Å; S39-I44 VanDerWaalsContact CB-O 3.25Å; S39-I44 WeakPolarHBondContact CB-O 3.49Å; S39-I44 PolarHBondContact O-N 2.97Å; S39-I44 PolarHBondContact OG-O 3.4Å
40L96.3Very high96.7Very high152 Ų15240 Ų4080%0.79623%0.23SC*.Hα-helixtrans-62.4-42.1176.5-70.4172.1000112.1R36 A37 L38R36-L40 WeakPolarHBondContact O-CG 3.32Å; R36-L40 PolarHBondContact O-N 3.42Å; A37-L40 PolarHBondContact O-N 3.49Å; L38-L40 PolarHBondContact O-N 3.32Å
41K94.6Very high96.6Very high65 Ų6544.4 Ų44.428%0.28325%0.251SS..Hα-helixtrans-72.6-35.7-176.7-174.9167179.6168.30113.4A37 L38 S39 V175 N176A37-K41 VanDerWaalsContact O-CB 3.31Å; A37-K41 WeakPolarHBondContact O-CB 3.4Å; A37-K41 PolarHBondContact O-N 2.94Å; L38-K41 PolarHBondContact O-N 2.94Å; S39-K41 PolarHBondContact O-N 3.14Å; K41-V175 HydrophobicContact CD-CG1 3.76Å; K41-N176 PolarHBondContact NZ-OD1 3.08Å
42L93.2Very high96.5Very high13 Ų1347.1 Ų47.17%0.06826%0.261CS..Hα-helixtrans-99.1-11.9-174.1-62.4176.1000113.2V10 I14 L38 I44 L182V10-L42 HydrophobicContact CB-CD2 3.49Å; V10-L42 VanDerWaalsContact CB-CD2 3.49Å; V10-L42 HydrophobicContact CG1-CD2 3.9Å; V10-L42 HydrophobicContact CG2-CD2 3.8Å; I14-L42 HydrophobicContact CD1-CB 4.17Å; I14-L42 HydrophobicContact CD1-CD1 4.23Å; I14-L42 HydrophobicContact CD1-CD2 4.36Å; I14-L42 HydrophobicContact CD1-CG 4.5Å; L38-L42 HydrophobicContact CB-CD1 4.34Å; L38-L42 HydrophobicContact CD2-CD1 4.04Å; L38-L42 WeakPolarHBondContact O-CB 3.42Å; L38-L42 VanDerWaalsContact O-CG 3.3Å; L38-L42 WeakPolarHBondContact O-CG 3.44Å; L38-L42 PolarHBondContact O-N 2.64Å; L42-I44 VanDerWaalsContact C-N 3.28Å; L42-I44 HydrophobicContact CB-CD1 3.94Å; L42-I44 HydrophobicContact CB-CG1 3.86Å; L42-I44 HydrophobicContact CB-CG2 4.47Å; L42-I44 HydrophobicContact CD1-CD1 3.75Å; L42-I44 HydrophobicContact CD1-CG1 4.45Å; L42-I44 PolarHBondContact O-N 3.42Å; L42-L182 HydrophobicContact CD1-CD1 3.99Å
43G94.1Very high96.4Very high72 Ų7246.6 Ų46.674%0.74226%0.256SS*.THydrogen-bonded Turntrans68.426-176.700000113.7S39S39-G43 WeakPolarHBondContact O-CA 3.3Å; S39-G43 PolarHBondContact O-N 3.47Å
44I94.9Very high96.3Very high20 Ų2046.3 Ų46.310%0.10326%0.257CS..  trans-114.7150-178.563.7-176.1000111I14 L21 S39 L42 T92 I94I14-I44 HydrophobicContact CD1-CD1 3.92Å; I14-I44 HydrophobicContact CD1-CG2 3.91Å; L21-I44 HydrophobicContact CD1-CD1 3.96Å; S39-I44 VanDerWaalsContact CA-O 3.3Å; S39-I44 WeakPolarHBondContact CA-O 3.29Å; S39-I44 VanDerWaalsContact CB-O 3.25Å; S39-I44 WeakPolarHBondContact CB-O 3.49Å; S39-I44 PolarHBondContact O-N 2.97Å; S39-I44 PolarHBondContact OG-O 3.4Å; L42-I44 VanDerWaalsContact C-N 3.28Å; L42-I44 HydrophobicContact CB-CD1 3.94Å; L42-I44 HydrophobicContact CB-CG1 3.86Å; L42-I44 HydrophobicContact CB-CG2 4.47Å; L42-I44 HydrophobicContact CD1-CD1 3.75Å; L42-I44 HydrophobicContact CD1-CG1 4.45Å; L42-I44 PolarHBondContact O-N 3.42Å; I44-T92 HydrophobicContact CD1-CG2 3.9Å; I44-T92 HydrophobicContact CG2-CG2 4.36Å; I44-I94 HydrophobicContact CD1-CD1 3.61Å; I44-I94 HydrophobicContact CD1-CG1 3.42Å; I44-I94 VanDerWaalsContact CD1-CG1 3.42Å; I44-I94 HydrophobicContact CG1-CD1 3.59Å; I44-I94 HydrophobicContact CG1-CG1 3.8Å
45P97.2Very high96.1Very high52 Ų5250.3 Ų50.334%0.33829%0.29SS..  trans-63.814417923.6-32.4000112.2F86 T92 V93 I94P45-F86 HydrophobicContact CB-CE1 4.21Å; P45-F86 HydrophobicContact CB-CZ 4.26Å; P45-F86 HydrophobicContact CG-CD1 4.08Å; P45-F86 HydrophobicContact CG-CE1 3.45Å; P45-F86 VanDerWaalsContact CG-CE1 3.45Å; P45-F86 HydrophobicContact CG-CZ 3.96Å; P45-T92 WeakPolarHBondContact CD-O 3.45Å; P45-V93 HydrophobicContact CB-CG2 4.44Å; P45-V93 HydrophobicContact CG-CB 4.3Å; P45-V93 HydrophobicContact CG-CG2 4.1Å; P45-I94 PolarHBondContact O-N 3.05Å
46F98.3Very high96Very high34 Ų3456.5 Ų56.515%0.14932%0.318CS..EExtended strand (participates in β ladder)trans-114.6127.6168.6167.8-114.8000110.2R36 D48 I94R36-F46 HydrophobicContact CG-CD1 3.75Å; R36-F46 HydrophobicContact CG-CE1 3.96Å; F46-D48 HydrophobicContact CE1-CB 3.81Å; F46-D48 HydrophobicContact CZ-CB 3.85Å; F46-I94 CarbonylContact C-O 3.59Å; F46-I94 WeakPolarHBondContact CA-O 3.24Å; F46-I94 HydrophobicContact CB-CB 4.38Å; F46-I94 HydrophobicContact CD2-CB 4.01Å; F46-I94 HydrophobicContact CD2-CG2 3.75Å; F46-I94 HydrophobicContact CE2-CG2 4.35Å
47L98.5Very high95.8Very high17 Ų1750.3 Ų50.39%0.08930%0.295CS..EExtended strand (participates in β ladder)trans-107.4117.1172.6-47.2-177.7000108.6Y52 M79 L82 F86 V93 I94 I95 G96L47-Y52 HydrophobicContact CB-CE2 3.98Å; L47-M79 HydrophobicContact CB-CE 4.43Å; L47-L82 HydrophobicContact CD1-CB 4.06Å; L47-L82 HydrophobicContact CD1-CD1 4.44Å; L47-F86 HydrophobicContact CD1-CD2 4.43Å; L47-F86 HydrophobicContact CD1-CE2 3.93Å; L47-F86 HydrophobicContact CD2-CE2 4.36Å; L47-V93 HydrophobicContact CD1-CG2 3.94Å; L47-V93 HydrophobicContact CG-CG2 3.8Å; L47-I94 PolarHBondContact N-O 3.38Å; L47-I95 HydrophobicContact CB-CG1 4.37Å; L47-I95 HydrophobicContact CD1-CD1 4.48Å; L47-I95 HydrophobicContact CD1-CG1 4.28Å; L47-I95 WeakPolarHBondContact O-CA 3.47Å; L47-G96 PolarHBondContact O-N 3.43Å
48D97.5Very high95.4Very high10 Ų1053 Ų535%0.05330%0.301CS..EExtended strand (participates in β ladder)trans-83.4117.5171.3-157-31.2000109.2S32 R36 F46 D50 D51 Y52S32-D48 WeakPolarHBondContact CB-OD2 3.49Å; S32-D48 PolarHBondContact OG-OD2 3.28Å; R36-D48 IonicContact NH2-OD2 2.8Å; F46-D48 HydrophobicContact CE1-CB 3.81Å; F46-D48 HydrophobicContact CZ-CB 3.85Å; D48-D50 PolarHBondContact O-N 3.04Å; D48-D50 VanDerWaalsContact O-N 3.14Å; D48-D50 PolarHBondContact OD1-N 3Å; D48-D51 WeakPolarHBondContact O-CB 3.41Å; D48-D51 PolarHBondContact O-N 3.22Å; D48-Y52 WeakPolarHBondContact O-CD2 3.33Å; D48-Y52 WeakPolarHBondContact O-CE2 3.37Å
49G96.4Very high95.2Very high0 Ų054.9 Ų54.90%032%0.316CS..G310 helixtrans-58.5-28.8-176.500000113D51 Y52 W75 G96G49-D51 PolarHBondContact O-N 2.67Å; G49-Y52 PolarHBondContact O-N 2.85Å; G49-Y52 VanDerWaalsContact O-N 3.16Å; G49-W75 PolarHBondContact O-NE1 3.17Å; G49-G96 VanDerWaalsContact CA-O 3.23Å; G49-G96 WeakPolarHBondContact CA-O 3.31Å; G49-G96 PolarHBondContact N-O 2.86Å
50D93.4Very high94.9Very high87 Ų8755.1 Ų55.147%0.46531%0.313SS..G310 helixtrans-63.1-27.8178.2-72.7-9.8000112.1D48 Y52 K58D48-D50 PolarHBondContact O-N 3.04Å; D48-D50 VanDerWaalsContact O-N 3.14Å; D48-D50 PolarHBondContact OD1-N 3Å; D50-Y52 PolarHBondContact O-N 3.34Å; D50-K58 WeakPolarHBondContact O-CE 3.38Å
51D95Very high94.6Very high104 Ų10450.5 Ų50.556%0.55629%0.289SS*.G310 helixtrans-68.2-26.3179.3-67.9-29.1000112.3D48 G49 K58D48-D51 WeakPolarHBondContact O-CB 3.41Å; D48-D51 PolarHBondContact O-N 3.22Å; G49-D51 PolarHBondContact O-N 2.67Å; D51-K58 PolarHBondContact O-NZ 3.19Å
52Y96.2Very high94.2Very high75 Ų7552.8 Ų52.829%0.29431%0.311SS..G310 helixtrans-97.14.3-173.4-60.3-86.1000114.2L47 D48 G49 D50 I78 M79 L82L47-Y52 HydrophobicContact CB-CE2 3.98Å; D48-Y52 WeakPolarHBondContact O-CD2 3.33Å; D48-Y52 WeakPolarHBondContact O-CE2 3.37Å; G49-Y52 PolarHBondContact O-N 2.85Å; G49-Y52 VanDerWaalsContact O-N 3.16Å; D50-Y52 PolarHBondContact O-N 3.34Å; Y52-I78 HydrophobicContact CD1-CG2 4.32Å; Y52-M79 HydrophobicContact CD2-CE 4Å; Y52-M79 HydrophobicContact CD2-SD 3.59Å; Y52-M79 VanDerWaalsContact CD2-SD 3.59Å; Y52-M79 HydrophobicContact CE2-CE 4.42Å; Y52-M79 HydrophobicContact CE2-SD 4.46Å; Y52-M79 HydrophobicContact CG-SD 3.68Å; Y52-L82 HydrophobicContact CD1-CD1 3.48Å; Y52-L82 VanDerWaalsContact CD1-CD1 3.48Å; Y52-L82 HydrophobicContact CD2-CD1 4.46Å; Y52-L82 HydrophobicContact CE1-CD1 3.33Å; Y52-L82 HydrophobicContact CE2-CD1 4.37Å; Y52-L82 HydrophobicContact CG-CD1 4.06Å
53H94.3Very high93.9Very high11 Ų1158.3 Ų58.35%0.05133%0.331CS..SBendtrans-67.5144.1168.6-79-58.2000111.5N57 K58 M61 W75H53-N57 HydrophobicContact CB-CB 4.17Å; H53-K58 HydrophobicContact CB-CG 3.78Å; H53-K58 VanDerWaalsContact O-CE 3.25Å; H53-K58 WeakPolarHBondContact O-CE 3.38Å; H53-M61 HydrophobicContact CB-CE 4.28Å; H53-M61 WeakPolarHBondContact CD2-CE 3.2Å; H53-W75 AromaticContact CE1-CD1 3.6Å; H53-W75 AromaticContact CE1-CD2 3.26Å; H53-W75 AromaticContact CE1-CE2 3.42Å; H53-W75 VanDerWaalsContact CE1-CE2 3.42Å; H53-W75 AromaticContact CE1-CE3 3.78Å; H53-W75 AromaticContact CE1-CG 3.38Å; H53-W75 AromaticContact CE1-NE1 3.59Å; H53-W75 AromaticContact CG-CD1 3.88Å; H53-W75 AromaticContact CG-NE1 3.98Å; H53-W75 AromaticContact ND1-CD1 3.36Å; H53-W75 AromaticContact ND1-CD2 3.79Å; H53-W75 AromaticContact ND1-CE2 4Å; H53-W75 AromaticContact ND1-CG 3.37Å; H53-W75 AromaticContact ND1-NE1 3.72Å; H53-W75 AromaticContact NE2-CD2 3.94Å; H53-W75 AromaticContact NE2-CE2 3.62Å; H53-W75 AromaticContact NE2-CZ2 3.87Å; H53-W75 AromaticContact NE2-NE1 3.79Å
54S94.7Very high93.4Very high57 Ų5755.2 Ų55.240%0.39930%0.3SS..  trans-60155.4170.967.70000111F56 N57 K58S54-F56 PolarHBondContact O-N 3.38Å; S54-N57 PolarHBondContact O-N 3.42Å; S54-N57 VanDerWaalsContact O-N 3.09Å; S54-N57 WeakPolarHBondContact OG-CB 3.22Å; S54-N57 VanDerWaalsContact OG-CG 3.28Å; S54-N57 PolarHBondContact OG-N 3.11Å; S54-N57 VanDerWaalsContact OG-N 3.1Å; S54-N57 PolarHBondContact OG-OD1 3.29Å; S54-K58 WeakPolarHBondContact O-CG 3.37Å; S54-K58 PolarHBondContact O-N 3.48Å
55A94.8Very high93.1Very high87 Ų8757.9 Ų57.972%0.71931%0.312SS*.Hα-helixtrans-55.8-37.5175.100000111.8K58 A59A55-K58 PolarHBondContact O-N 3.22Å; A55-A59 WeakPolarHBondContact O-CB 3.25Å; A55-A59 PolarHBondContact O-N 3.21Å
56F94.9Very high92.5Very high130 Ų13059.4 Ų59.457%0.5732%0.321SS*.Hα-helixtrans-59.9-50.4173.9179.3-99.7000112.3S54 K58 A59 K60 E71S54-F56 PolarHBondContact O-N 3.38Å; F56-K58 PolarHBondContact O-N 3.24Å; F56-A59 PolarHBondContact O-N 2.81Å; F56-K60 PolarHBondContact O-N 3.09Å; F56-E71 WeakPolarHBondContact CE1-OE1 3.3Å
57N94.3Very high92.2Very high8 Ų858.2 Ų58.24%0.04332%0.316CS..Hα-helixtrans-65-39.6178.9-73.52.8000111.8H53 S54 K60 M61 L67 E71H53-N57 HydrophobicContact CB-CB 4.17Å; S54-N57 PolarHBondContact O-N 3.42Å; S54-N57 VanDerWaalsContact O-N 3.09Å; S54-N57 WeakPolarHBondContact OG-CB 3.22Å; S54-N57 VanDerWaalsContact OG-CG 3.28Å; S54-N57 PolarHBondContact OG-N 3.11Å; S54-N57 VanDerWaalsContact OG-N 3.1Å; S54-N57 PolarHBondContact OG-OD1 3.29Å; N57-K60 PolarHBondContact O-N 2.9Å; N57-M61 WeakPolarHBondContact O-CG 3.41Å; N57-M61 PolarHBondContact O-N 3.11Å; N57-L67 HydrophobicContact CB-CD1 3.85Å; N57-L67 HydrophobicContact CB-CD2 3.89Å; N57-E71 PolarHBondContact ND2-O 3Å
58K91.5Very high91.9Very high88 Ų8859.4 Ų59.438%0.38333%0.326SS..Hα-helixtrans-60.9-44.6174.8-71.3-178.4-179.31770111.3D50 D51 H53 S54 A55 F56 K60 M61 C62D50-K58 WeakPolarHBondContact O-CE 3.38Å; D51-K58 PolarHBondContact O-NZ 3.19Å; H53-K58 HydrophobicContact CB-CG 3.78Å; H53-K58 VanDerWaalsContact O-CE 3.25Å; H53-K58 WeakPolarHBondContact O-CE 3.38Å; S54-K58 WeakPolarHBondContact O-CG 3.37Å; S54-K58 PolarHBondContact O-N 3.48Å; A55-K58 PolarHBondContact O-N 3.22Å; F56-K58 PolarHBondContact O-N 3.24Å; K58-K60 PolarHBondContact O-N 2.83Å; K58-M61 PolarHBondContact O-N 3.02Å; K58-C62 VanDerWaalsContact O-CB 3.31Å; K58-C62 WeakPolarHBondContact O-CB 3.23Å; K58-C62 PolarHBondContact O-N 2.78Å
59A92.3Very high91.8Very high40 Ų4061.6 Ų61.633%0.33134%0.338SS..Hα-helixtrans-62.5-42.4176.300000112A55 F56 C62 R63A55-A59 WeakPolarHBondContact O-CB 3.25Å; A55-A59 PolarHBondContact O-N 3.21Å; F56-A59 PolarHBondContact O-N 2.81Å; A59-C62 WeakPolarHBondContact O-CB 3.42Å; A59-C62 PolarHBondContact O-N 3.02Å; A59-R63 WeakPolarHBondContact O-CG 3.43Å; A59-R63 PolarHBondContact O-N 3.47Å; A59-R63 VanDerWaalsContact O-N 3.07Å; A59-R63 PolarHBondContact O-NH1 2.96Å
60K91.3Very high91.7Very high35 Ų3568 Ų6815%0.15237%0.368CS..Hα-helixtrans-59.7-50.5176.1-169.3168.2-177.3-172.70111.9F56 N57 K58 C62 R63 G64 E65 P66 L67 E71F56-K60 PolarHBondContact O-N 3.09Å; N57-K60 PolarHBondContact O-N 2.9Å; K58-K60 PolarHBondContact O-N 2.83Å; K60-C62 VanDerWaalsContact C-N 3.31Å; K60-C62 PolarHBondContact O-N 2.87Å; K60-R63 PolarHBondContact O-N 3.45Å; K60-R63 VanDerWaalsContact O-N 3.1Å; K60-G64 PolarHBondContact O-N 2.84Å; K60-E65 HydrophobicContact CD-CB 4.41Å; K60-E65 HydrophobicContact CG-CB 3.45Å; K60-E65 VanDerWaalsContact CG-CB 3.45Å; K60-E65 WeakPolarHBondContact CG-OE2 3.42Å; K60-E65 WeakPolarHBondContact O-CB 3.3Å; K60-E65 PolarHBondContact O-N 2.88Å; K60-P66 WeakPolarHBondContact CE-O 3.25Å; K60-P66 PolarHBondContact NZ-O 3.33Å; K60-L67 HydrophobicContact CB-CD2 3.96Å; K60-L67 HydrophobicContact CD-CD2 3.76Å; K60-L67 HydrophobicContact CG-CD2 3.99Å; K60-E71 IonicContact NZ-OE1 3.57Å; K60-E71 PolarHBondContact NZ-OE1 2.82Å; K60-E71 IonicContact NZ-OE2 2.77Å; K60-E71 PolarHBondContact NZ-OE2 2.78Å
61M88.9Confident91.7Very high56 Ų5665.2 Ų65.228%0.27635%0.352SS..Hα-helixtrans-63.4-35.8175.9-66.9-170.3-59.800112.7H53 N57 K58 R63 G64 L67H53-M61 HydrophobicContact CB-CE 4.28Å; H53-M61 WeakPolarHBondContact CD2-CE 3.2Å; N57-M61 WeakPolarHBondContact O-CG 3.41Å; N57-M61 PolarHBondContact O-N 3.11Å; K58-M61 PolarHBondContact O-N 3.02Å; M61-R63 VanDerWaalsContact C-N 3.25Å; M61-R63 PolarHBondContact O-N 2.9Å; M61-G64 WeakPolarHBondContact O-CA 3.12Å; M61-G64 PolarHBondContact O-N 3.15Å; M61-L67 HydrophobicContact CG-CD1 4.31Å; M61-L67 HydrophobicContact CG-CD2 3.94Å; M61-L67 HydrophobicContact CG-CG 4Å; M61-L67 HydrophobicContact SD-CD1 4.03Å; M61-L67 HydrophobicContact SD-CG 4.28Å
62C85.8Confident91.7Very high112 Ų11261.5 Ų61.576%0.75733%0.33SS*.Hα-helixtrans-62.7-32.3174.9-170.80000112.4K58 A59 K60 G64K58-C62 VanDerWaalsContact O-CB 3.31Å; K58-C62 WeakPolarHBondContact O-CB 3.23Å; K58-C62 PolarHBondContact O-N 2.78Å; A59-C62 WeakPolarHBondContact O-CB 3.42Å; A59-C62 PolarHBondContact O-N 3.02Å; K60-C62 VanDerWaalsContact C-N 3.31Å; K60-C62 PolarHBondContact O-N 2.87Å; C62-G64 PolarHBondContact O-N 3.38Å
63R88.4Confident91.7Very high130 Ų13059.1 Ų59.149%0.49133%0.326SS..THydrogen-bonded Turntrans-78.6-3.9172.2-65.1-170.6-54-89.1-1.3113.3A59 K60 M61 E65A59-R63 WeakPolarHBondContact O-CG 3.43Å; A59-R63 PolarHBondContact O-N 3.47Å; A59-R63 VanDerWaalsContact O-N 3.07Å; A59-R63 PolarHBondContact O-NH1 2.96Å; K60-R63 PolarHBondContact O-N 3.45Å; K60-R63 VanDerWaalsContact O-N 3.1Å; M61-R63 VanDerWaalsContact C-N 3.25Å; M61-R63 PolarHBondContact O-N 2.9Å; R63-E65 VanDerWaalsContact C-N 3.29Å; R63-E65 HydrophobicContact CB-CG 4.29Å; R63-E65 IonicContact CZ-OE1 2.76Å; R63-E65 IonicContact CZ-OE2 2.8Å; R63-E65 IonicContact NE-OE1 3.61Å; R63-E65 PolarHBondContact NE-OE1 3.49Å; R63-E65 IonicContact NE-OE2 3.54Å; R63-E65 PolarHBondContact NE-OE2 2.62Å; R63-E65 IonicContact NH2-OE1 3.38Å; R63-E65 IonicContact NH2-OE2 3.47Å; R63-E65 PolarHBondContact NH2-OE2 3.25Å
64G83.5Confident91.7Very high7 Ų765.3 Ų65.37%0.07236%0.355CS..THydrogen-bonded Turntrans76.816.3-176.300000113.6K60 M61 C62 W143K60-G64 PolarHBondContact O-N 2.84Å; M61-G64 WeakPolarHBondContact O-CA 3.12Å; M61-G64 PolarHBondContact O-N 3.15Å; C62-G64 PolarHBondContact O-N 3.38Å; G64-W143 PolarHBondContact O-NE1 2.89Å
65E87.4Confident91.8Very high76 Ų7662.8 Ų62.836%0.35534%0.336SS..PPolyproline II helixtrans-85.9128.6175.9-69.3162.7-150.600109.5K60 R63K60-E65 HydrophobicContact CD-CB 4.41Å; K60-E65 HydrophobicContact CG-CB 3.45Å; K60-E65 VanDerWaalsContact CG-CB 3.45Å; K60-E65 WeakPolarHBondContact CG-OE2 3.42Å; K60-E65 WeakPolarHBondContact O-CB 3.3Å; K60-E65 PolarHBondContact O-N 2.88Å; R63-E65 VanDerWaalsContact C-N 3.29Å; R63-E65 HydrophobicContact CB-CG 4.29Å; R63-E65 IonicContact CZ-OE1 2.76Å; R63-E65 IonicContact CZ-OE2 2.8Å; R63-E65 IonicContact NE-OE1 3.61Å; R63-E65 PolarHBondContact NE-OE1 3.49Å; R63-E65 IonicContact NE-OE2 3.54Å; R63-E65 PolarHBondContact NE-OE2 2.62Å; R63-E65 IonicContact NH2-OE1 3.38Å; R63-E65 IonicContact NH2-OE2 3.47Å; R63-E65 PolarHBondContact NH2-OE2 3.25Å
66P86.3Confident91.9Very high83 Ų8358.7 Ų58.754%0.53930%0.302SS..PPolyproline II helixtrans-70.2143.9178.429-34000111.1K60K60-P66 WeakPolarHBondContact CE-O 3.25Å; K60-P66 PolarHBondContact NZ-O 3.33Å
67L90.8Very high92Very high9 Ų955.3 Ų55.35%0.04730%0.295CS..PPolyproline II helixtrans-77.6138.3169.9-45.2-179.2000110.1N57 K60 M61 E71 R72N57-L67 HydrophobicContact CB-CD1 3.85Å; N57-L67 HydrophobicContact CB-CD2 3.89Å; K60-L67 HydrophobicContact CB-CD2 3.96Å; K60-L67 HydrophobicContact CD-CD2 3.76Å; K60-L67 HydrophobicContact CG-CD2 3.99Å; M61-L67 HydrophobicContact CG-CD1 4.31Å; M61-L67 HydrophobicContact CG-CD2 3.94Å; M61-L67 HydrophobicContact CG-CG 4Å; M61-L67 HydrophobicContact SD-CD1 4.03Å; M61-L67 HydrophobicContact SD-CG 4.28Å; L67-E71 VanDerWaalsContact CA-OE2 3.26Å; L67-E71 WeakPolarHBondContact CA-OE2 3.26Å; L67-E71 HydrophobicContact CB-CB 4.07Å; L67-R72 HydrophobicContact CB-CG 4.01Å; L67-R72 PolarHBondContact O-NE 3.07Å; L67-R72 VanDerWaalsContact O-NE 3.12Å; L67-R72 PolarHBondContact O-NH2 3.08Å
68S92.6Very high92.1Very high43 Ų4358.8 Ų58.830%0.30131%0.313SS..PPolyproline II helixtrans-64.2164.5168.859.10000112.1E70 E71 R72S68-E70 VanDerWaalsContact C-N 3.27Å; S68-E70 WeakPolarHBondContact CB-OE2 3.22Å; S68-E70 PolarHBondContact O-N 3.34Å; S68-E71 WeakPolarHBondContact CB-OE2 3.5Å; S68-E71 PolarHBondContact N-OE2 3.02Å; S68-E71 PolarHBondContact O-N 3.16Å; S68-E71 WeakPolarHBondContact OG-CB 3.41Å; S68-E71 WeakPolarHBondContact OG-CG 3.36Å; S68-E71 PolarHBondContact OG-N 3.27Å; S68-E71 PolarHBondContact OG-OE2 3.14Å; S68-R72 VanDerWaalsContact O-CG 3.31Å; S68-R72 WeakPolarHBondContact O-CG 3.43Å; S68-R72 PolarHBondContact O-N 2.88Å
69D94.4Very high92.4Very high55 Ų5554.6 Ų54.629%0.29429%0.294SS..Hα-helixtrans-64.3-34178.3-74.515.5000110.9R72 A73 K101 Q103 Y104D69-R72 PolarHBondContact O-N 2.82Å; D69-A73 VanDerWaalsContact O-CB 3.31Å; D69-A73 WeakPolarHBondContact O-CB 3.31Å; D69-A73 PolarHBondContact O-N 3.23Å; D69-K101 IonicContact OD1-NZ 2.78Å; D69-K101 PolarHBondContact OD1-NZ 2.95Å; D69-K101 IonicContact OD2-NZ 3.87Å; D69-K101 PolarHBondContact OD2-NZ 3.45Å; D69-Q103 PolarHBondContact OD2-NE2 2.89Å; D69-Y104 PolarHBondContact OD1-OH 2.61Å
70E94.5Very high92.7Very high135 Ų13553.5 Ų53.563%0.63129%0.285SS*.Hα-helixtrans-66.9-46.5176.4-64.472.7-159.900112.1S68 R72 A73 Q74S68-E70 VanDerWaalsContact C-N 3.27Å; S68-E70 WeakPolarHBondContact CB-OE2 3.22Å; S68-E70 PolarHBondContact O-N 3.34Å; E70-R72 PolarHBondContact O-N 2.84Å; E70-A73 WeakPolarHBondContact O-CB 3.29Å; E70-A73 PolarHBondContact O-N 3.23Å; E70-Q74 PolarHBondContact O-N 2.91Å
71E93.8Very high93Very high29 Ų2960.2 Ų60.214%0.13631%0.309CS..Hα-helixtrans-61.7-36.1175.5-73.5161.9151.900111F56 N57 K60 L67 S68F56-E71 WeakPolarHBondContact CE1-OE1 3.3Å; N57-E71 PolarHBondContact ND2-O 3Å; K60-E71 IonicContact NZ-OE1 3.57Å; K60-E71 PolarHBondContact NZ-OE1 2.82Å; K60-E71 IonicContact NZ-OE2 2.77Å; K60-E71 PolarHBondContact NZ-OE2 2.78Å; L67-E71 VanDerWaalsContact CA-OE2 3.26Å; L67-E71 WeakPolarHBondContact CA-OE2 3.26Å; L67-E71 HydrophobicContact CB-CB 4.07Å; S68-E71 WeakPolarHBondContact CB-OE2 3.5Å; S68-E71 PolarHBondContact N-OE2 3.02Å; S68-E71 PolarHBondContact O-N 3.16Å; S68-E71 WeakPolarHBondContact OG-CB 3.41Å; S68-E71 WeakPolarHBondContact OG-CG 3.36Å; S68-E71 PolarHBondContact OG-N 3.27Å; S68-E71 PolarHBondContact OG-OE2 3.14Å
72R95.5Very high93.4Very high26 Ų2659 Ų5910%0.09830%0.304CS..Hα-helixtrans-72.1-38.1174.5-71.5-179-167.9-55.71.1112.3L67 S68 D69 E70 Q74 W75 L76 Y104L67-R72 HydrophobicContact CB-CG 4.01Å; L67-R72 PolarHBondContact O-NE 3.07Å; L67-R72 VanDerWaalsContact O-NE 3.12Å; L67-R72 PolarHBondContact O-NH2 3.08Å; S68-R72 VanDerWaalsContact O-CG 3.31Å; S68-R72 WeakPolarHBondContact O-CG 3.43Å; S68-R72 PolarHBondContact O-N 2.88Å; D69-R72 PolarHBondContact O-N 2.82Å; E70-R72 PolarHBondContact O-N 2.84Å; R72-Q74 VanDerWaalsContact C-N 3.3Å; R72-Q74 PolarHBondContact O-N 2.78Å; R72-W75 PolarHBondContact O-N 2.88Å; R72-L76 WeakPolarHBondContact O-CB 3.41Å; R72-L76 VanDerWaalsContact O-CG 3.29Å; R72-L76 WeakPolarHBondContact O-CG 3.21Å; R72-L76 PolarHBondContact O-N 3.43Å; R72-Y104 WeakPolarHBondContact CD-OH 3.49Å
73A95.5Very high94Very high24 Ų2453.7 Ų53.720%0.19827%0.268CS..Hα-helixtrans-60.3-40.2-179.900000112D69 E70 S77 R107D69-A73 VanDerWaalsContact O-CB 3.31Å; D69-A73 WeakPolarHBondContact O-CB 3.31Å; D69-A73 PolarHBondContact O-N 3.23Å; E70-A73 WeakPolarHBondContact O-CB 3.29Å; E70-A73 PolarHBondContact O-N 3.23Å; A73-S77 WeakPolarHBondContact O-CB 3.47Å; A73-S77 PolarHBondContact O-N 3.1Å; A73-R107 PolarHBondContact O-NE 3.09Å; A73-R107 VanDerWaalsContact O-NE 3.11Å; A73-R107 PolarHBondContact O-NH2 3.5Å
74Q94.9Very high94.4Very high141 Ų14150.8 Ų50.866%0.65926%0.26SS*.Hα-helixtrans-63.4-48.4175-65.9-179.12600111.4E70 R72 S77 I78E70-Q74 PolarHBondContact O-N 2.91Å; R72-Q74 VanDerWaalsContact C-N 3.3Å; R72-Q74 PolarHBondContact O-N 2.78Å; Q74-S77 VanDerWaalsContact O-CB 3.27Å; Q74-S77 WeakPolarHBondContact O-CB 3.49Å; Q74-S77 PolarHBondContact O-N 2.8Å; Q74-I78 PolarHBondContact O-N 2.74Å
75W96.6Very high95.1Very high4 Ų454.7 Ų54.72%0.01528%0.276CS..Hα-helixtrans-61.6-46.6177.316571.2000112.8G49 H53 R72 S77 I78 M79 C97G49-W75 PolarHBondContact O-NE1 3.17Å; H53-W75 AromaticContact CE1-CD1 3.6Å; H53-W75 AromaticContact CE1-CD2 3.26Å; H53-W75 AromaticContact CE1-CE2 3.42Å; H53-W75 VanDerWaalsContact CE1-CE2 3.42Å; H53-W75 AromaticContact CE1-CE3 3.78Å; H53-W75 AromaticContact CE1-CG 3.38Å; H53-W75 AromaticContact CE1-NE1 3.59Å; H53-W75 AromaticContact CG-CD1 3.88Å; H53-W75 AromaticContact CG-NE1 3.98Å; H53-W75 AromaticContact ND1-CD1 3.36Å; H53-W75 AromaticContact ND1-CD2 3.79Å; H53-W75 AromaticContact ND1-CE2 4Å; H53-W75 AromaticContact ND1-CG 3.37Å; H53-W75 AromaticContact ND1-NE1 3.72Å; H53-W75 AromaticContact NE2-CD2 3.94Å; H53-W75 AromaticContact NE2-CE2 3.62Å; H53-W75 AromaticContact NE2-CZ2 3.87Å; H53-W75 AromaticContact NE2-NE1 3.79Å; R72-W75 PolarHBondContact O-N 2.88Å; W75-S77 PolarHBondContact O-N 3.46Å; W75-I78 WeakPolarHBondContact O-CB 3.37Å; W75-I78 PolarHBondContact O-N 2.78Å; W75-M79 HydrophobicContact CZ2-CG 4.43Å; W75-M79 PolarHBondContact O-N 2.8Å; W75-C97 WeakPolarHBondContact CH2-SG 3.5Å
76L97.6Very high95.5Very high1 Ų153 Ų531%0.00527%0.267CS..Hα-helixtrans-61-32.8175.7-72.3166.1000112.2R72 I78 M79 S80 Y104 R107R72-L76 WeakPolarHBondContact O-CB 3.41Å; R72-L76 VanDerWaalsContact O-CG 3.29Å; R72-L76 WeakPolarHBondContact O-CG 3.21Å; R72-L76 PolarHBondContact O-N 3.43Å; L76-I78 VanDerWaalsContact C-N 3.33Å; L76-M79 PolarHBondContact O-N 3.4Å; L76-S80 WeakPolarHBondContact O-CB 3.3Å; L76-S80 PolarHBondContact O-N 3.36Å; L76-Y104 HydrophobicContact CD1-CD1 3.6Å; L76-Y104 HydrophobicContact CD1-CE1 4.45Å; L76-Y104 HydrophobicContact CD1-CG 3.7Å; L76-R107 HydrophobicContact CB-CG 4.19Å
77S96.3Very high96Very high59 Ų5950.9 Ų50.941%0.41325%0.25SS..Hα-helixtrans-63.7-38.9173.8-159.40000112.2A73 Q74 W75 R81A73-S77 WeakPolarHBondContact O-CB 3.47Å; A73-S77 PolarHBondContact O-N 3.1Å; Q74-S77 VanDerWaalsContact O-CB 3.27Å; Q74-S77 WeakPolarHBondContact O-CB 3.49Å; Q74-S77 PolarHBondContact O-N 2.8Å; W75-S77 PolarHBondContact O-N 3.46Å; S77-R81 WeakPolarHBondContact O-CB 3.28Å; S77-R81 PolarHBondContact O-N 3.09Å
78I96.8Very high96.2Very high81 Ų8154.8 Ų54.842%0.41527%0.274SS..Hα-helixtrans-64.6-48.9174.6-64.5167.4000109.5Y52 Q74 W75 L76 S80 R81 L82Y52-I78 HydrophobicContact CD1-CG2 4.32Å; Q74-I78 PolarHBondContact O-N 2.74Å; W75-I78 WeakPolarHBondContact O-CB 3.37Å; W75-I78 PolarHBondContact O-N 2.78Å; L76-I78 VanDerWaalsContact C-N 3.33Å; I78-S80 PolarHBondContact O-N 2.76Å; I78-R81 PolarHBondContact O-N 3.41Å; I78-L82 HydrophobicContact CG2-CD1 4.01Å; I78-L82 WeakPolarHBondContact O-CG 3.33Å; I78-L82 PolarHBondContact O-N 3.3Å
79M97.9Very high96.4Very high0 Ų059.5 Ų59.50%029%0.289CS..Hα-helixtrans-60.7-44.2179.5-61.8-49.5-63.500112.5L47 Y52 W75 L76 R81 L82 A83 I95 L108L47-M79 HydrophobicContact CB-CE 4.43Å; Y52-M79 HydrophobicContact CD2-CE 4Å; Y52-M79 HydrophobicContact CD2-SD 3.59Å; Y52-M79 VanDerWaalsContact CD2-SD 3.59Å; Y52-M79 HydrophobicContact CE2-CE 4.42Å; Y52-M79 HydrophobicContact CE2-SD 4.46Å; Y52-M79 HydrophobicContact CG-SD 3.68Å; W75-M79 HydrophobicContact CZ2-CG 4.43Å; W75-M79 PolarHBondContact O-N 2.8Å; L76-M79 PolarHBondContact O-N 3.4Å; M79-R81 VanDerWaalsContact C-N 3.33Å; M79-R81 PolarHBondContact O-N 3.33Å; M79-L82 PolarHBondContact O-N 3.4Å; M79-L82 HydrophobicContact SD-CD1 4.33Å; M79-A83 PolarHBondContact O-N 2.75Å; M79-I95 HydrophobicContact CE-CG2 3.41Å; M79-I95 VanDerWaalsContact CE-CG2 3.41Å; M79-L108 HydrophobicContact CB-CD1 3.58Å
80S97.9Very high96.3Very high18 Ų1861.6 Ų61.613%0.12630%0.298CS..Hα-helixtrans-65.6-35.1177.6-166.90000112.2L76 I78 Q84 R107 R112L76-S80 WeakPolarHBondContact O-CB 3.3Å; L76-S80 PolarHBondContact O-N 3.36Å; I78-S80 PolarHBondContact O-N 2.76Å; S80-Q84 WeakPolarHBondContact O-CB 3.39Å; S80-Q84 PolarHBondContact O-N 3.1Å; S80-R107 VanDerWaalsContact CB-O 3.3Å; S80-R107 WeakPolarHBondContact CB-O 3.44Å; S80-R107 PolarHBondContact OG-O 3.37Å; S80-R112 PolarHBondContact O-NH1 3.04Å; S80-R112 PolarHBondContact O-NH2 3.38Å; S80-R112 PolarHBondContact OG-NH2 3.31Å
81R97.9Very high96.4Very high176 Ų17659.7 Ų59.766%0.66429%0.289SS*.Hα-helixtrans-67.1-42.6173.5-177.1179.2179.1179.91112S77 I78 M79 Q84 Q85S77-R81 WeakPolarHBondContact O-CB 3.28Å; S77-R81 PolarHBondContact O-N 3.09Å; I78-R81 PolarHBondContact O-N 3.41Å; M79-R81 VanDerWaalsContact C-N 3.33Å; M79-R81 PolarHBondContact O-N 3.33Å; R81-Q84 WeakPolarHBondContact O-CB 3.29Å; R81-Q84 PolarHBondContact O-N 2.94Å; R81-Q85 WeakPolarHBondContact O-CG 3.31Å; R81-Q85 PolarHBondContact O-N 3.18Å
82L98Very high96.5Very high31 Ų3158.8 Ų58.816%0.16229%0.285CS..Hα-helixtrans-62.6-47.4175.6-70166.4000110.8L47 Y52 I78 M79 Q84 Q85 F86L47-L82 HydrophobicContact CD1-CB 4.06Å; L47-L82 HydrophobicContact CD1-CD1 4.44Å; Y52-L82 HydrophobicContact CD1-CD1 3.48Å; Y52-L82 VanDerWaalsContact CD1-CD1 3.48Å; Y52-L82 HydrophobicContact CD2-CD1 4.46Å; Y52-L82 HydrophobicContact CE1-CD1 3.33Å; Y52-L82 HydrophobicContact CE2-CD1 4.37Å; Y52-L82 HydrophobicContact CG-CD1 4.06Å; I78-L82 HydrophobicContact CG2-CD1 4.01Å; I78-L82 WeakPolarHBondContact O-CG 3.33Å; I78-L82 PolarHBondContact O-N 3.3Å; M79-L82 PolarHBondContact O-N 3.4Å; M79-L82 HydrophobicContact SD-CD1 4.33Å; L82-Q84 VanDerWaalsContact C-N 3.27Å; L82-Q84 PolarHBondContact O-N 3.41Å; L82-Q85 WeakPolarHBondContact O-CB 3.46Å; L82-Q85 PolarHBondContact O-N 3.16Å; L82-F86 WeakPolarHBondContact O-CD2 3.24Å; L82-F86 PolarHBondContact O-N 3.46Å
83A97.7Very high96.6Very high0 Ų057.6 Ų57.60%028%0.28CS..Hα-helixtrans-54.8-44.2173.600000111.8T20 M79 Q85 F86 H87 I95T20-A83 HydrophobicContact CG2-CB 3.93Å; M79-A83 PolarHBondContact O-N 2.75Å; A83-Q85 VanDerWaalsContact C-N 3.32Å; A83-Q85 PolarHBondContact O-N 2.93Å; A83-F86 PolarHBondContact O-N 3.34Å; A83-H87 WeakPolarHBondContact O-CB 3.26Å; A83-H87 PolarHBondContact O-N 2.64Å; A83-I95 HydrophobicContact CB-CD1 3.72Å
84Q97.7Very high96.7Very high69 Ų6956.4 Ų56.432%0.32227%0.271SS..Hα-helixtrans-59.7-40.2175.4-171.864.134.400112.5S80 R81 L82 F86 H87 V88 R112S80-Q84 WeakPolarHBondContact O-CB 3.39Å; S80-Q84 PolarHBondContact O-N 3.1Å; R81-Q84 WeakPolarHBondContact O-CB 3.29Å; R81-Q84 PolarHBondContact O-N 2.94Å; L82-Q84 VanDerWaalsContact C-N 3.27Å; L82-Q84 PolarHBondContact O-N 3.41Å; Q84-F86 PolarHBondContact O-N 3.29Å; Q84-H87 PolarHBondContact O-N 2.64Å; Q84-V88 HydrophobicContact CG-CG1 4.27Å; Q84-V88 WeakPolarHBondContact O-CG1 3.3Å; Q84-V88 WeakPolarHBondContact O-CG2 3.4Å; Q84-V88 PolarHBondContact O-N 3.36Å; Q84-R112 VanDerWaalsContact OE1-CD 3.31Å
85Q97.3Very high96.9Very high89 Ų8949.7 Ų49.742%0.41624%0.24SC..Hα-helixtrans-64.7-36.9-180-73.4174.8-21.700113R81 L82 A83 V88 K89R81-Q85 WeakPolarHBondContact O-CG 3.31Å; R81-Q85 PolarHBondContact O-N 3.18Å; L82-Q85 WeakPolarHBondContact O-CB 3.46Å; L82-Q85 PolarHBondContact O-N 3.16Å; A83-Q85 VanDerWaalsContact C-N 3.32Å; A83-Q85 PolarHBondContact O-N 2.93Å; Q85-V88 WeakPolarHBondContact O-CG2 3.39Å; Q85-K89 WeakPolarHBondContact O-CG 3.1Å
86F96.4Very high97Very high40 Ų4049.5 Ų49.518%0.17524%0.239CC..Hα-helixtrans-69.3-47172.3-79.8-80.9000111P45 L47 L82 A83 Q84 V88 K89 Q90 Q91 V93P45-F86 HydrophobicContact CB-CE1 4.21Å; P45-F86 HydrophobicContact CB-CZ 4.26Å; P45-F86 HydrophobicContact CG-CD1 4.08Å; P45-F86 HydrophobicContact CG-CE1 3.45Å; P45-F86 VanDerWaalsContact CG-CE1 3.45Å; P45-F86 HydrophobicContact CG-CZ 3.96Å; L47-F86 HydrophobicContact CD1-CD2 4.43Å; L47-F86 HydrophobicContact CD1-CE2 3.93Å; L47-F86 HydrophobicContact CD2-CE2 4.36Å; L82-F86 WeakPolarHBondContact O-CD2 3.24Å; L82-F86 PolarHBondContact O-N 3.46Å; A83-F86 PolarHBondContact O-N 3.34Å; Q84-F86 PolarHBondContact O-N 3.29Å; F86-V88 PolarHBondContact O-N 2.82Å; F86-K89 CarbonylContact O-C 3.55Å; F86-K89 PolarHBondContact O-N 2.94Å; F86-K89 VanDerWaalsContact O-N 3.09Å; F86-Q90 PolarHBondContact O-N 3.33Å; F86-Q91 CarbonylContact C-O 3.41Å; F86-Q91 HydrophobicContact CB-CB 4.42Å; F86-Q91 HydrophobicContact CD1-CB 3.86Å; F86-Q91 PolarHBondContact O-N 2.99Å; F86-V93 HydrophobicContact CB-CB 4.03Å; F86-V93 HydrophobicContact CB-CG1 3.77Å; F86-V93 HydrophobicContact CD1-CB 4.02Å; F86-V93 HydrophobicContact CD1-CG2 4.41Å; F86-V93 HydrophobicContact CD2-CB 4Å; F86-V93 HydrophobicContact CD2-CG1 4.09Å; F86-V93 HydrophobicContact CD2-CG2 3.92Å; F86-V93 HydrophobicContact CE2-CG2 4.03Å; F86-V93 HydrophobicContact CG-CB 3.73Å; F86-V93 HydrophobicContact CG-CG1 3.92Å; F86-V93 HydrophobicContact CG-CG2 4.13Å; F86-V93 HydrophobicContact CZ-CG2 4.32Å
87H95.7Very high96.9Very high38 Ų3849.6 Ų49.618%0.17624%0.239CC..Hα-helixtrans-57.9-47.7-178.7178.571.3000113.3G18 A83 Q84 K89 Q90 T115G18-H87 PolarHBondContact O-ND1 3.32Å; A83-H87 WeakPolarHBondContact O-CB 3.26Å; A83-H87 PolarHBondContact O-N 2.64Å; Q84-H87 PolarHBondContact O-N 2.64Å; H87-K89 PolarHBondContact O-N 2.8Å; H87-Q90 WeakPolarHBondContact O-CA 3.49Å; H87-Q90 PolarHBondContact O-N 2.97Å; H87-T115 PolarHBondContact CE1-OG1 2.96Å; H87-T115 PolarHBondContact ND1-OG1 2.88Å
88V95.8Very high96.9Very high91 Ų9147.7 Ų47.755%0.55223%0.226SC*.Hα-helixtrans-64.7-21.7179.3-61.70000113.4Q84 Q85 F86 Q90Q84-V88 HydrophobicContact CG-CG1 4.27Å; Q84-V88 WeakPolarHBondContact O-CG1 3.3Å; Q84-V88 WeakPolarHBondContact O-CG2 3.4Å; Q84-V88 PolarHBondContact O-N 3.36Å; Q85-V88 WeakPolarHBondContact O-CG2 3.39Å; F86-V88 PolarHBondContact O-N 2.82Å; V88-Q90 VanDerWaalsContact C-N 3.29Å
89K95.4Very high96.9Very high143 Ų14343.9 Ų43.962%0.62221%0.207SC*.THydrogen-bonded Turntrans-89.95.9174.3-64.6177.6-177.8-179.90112.5Q85 F86 H87 Q91Q85-K89 WeakPolarHBondContact O-CG 3.1Å; F86-K89 CarbonylContact O-C 3.55Å; F86-K89 PolarHBondContact O-N 2.94Å; F86-K89 VanDerWaalsContact O-N 3.09Å; H87-K89 PolarHBondContact O-N 2.8Å; K89-Q91 HydrophobicContact CB-CB 4.47Å; K89-Q91 HydrophobicContact CB-CG 3.98Å; K89-Q91 PolarHBondContact O-N 2.7Å
90Q94.2Very high96.8Very high99 Ų9944 Ų4446%0.46321%0.207SC..THydrogen-bonded Turntrans5626.9-172.6-60.5-61.5-19.700113.4G16 G18 F86 H87 V88G16-Q90 CarbonylContact C-O 3.56Å; G16-Q90 WeakPolarHBondContact CA-O 3.13Å; G16-Q90 PolarHBondContact O-OE1 3.32Å; G18-Q90 PolarHBondContact N-O 2.63Å; F86-Q90 PolarHBondContact O-N 3.33Å; H87-Q90 WeakPolarHBondContact O-CA 3.49Å; H87-Q90 PolarHBondContact O-N 2.97Å; V88-Q90 VanDerWaalsContact C-N 3.29Å
91Q95Very high96.8Very high95 Ų9544.7 Ų44.744%0.44421%0.208SC..  trans-96.6132.4178.9-68.5179.9-27.400110.3F86 K89F86-Q91 CarbonylContact C-O 3.41Å; F86-Q91 HydrophobicContact CB-CB 4.42Å; F86-Q91 HydrophobicContact CD1-CB 3.86Å; F86-Q91 PolarHBondContact O-N 2.99Å; K89-Q91 HydrophobicContact CB-CB 4.47Å; K89-Q91 HydrophobicContact CB-CG 3.98Å; K89-Q91 PolarHBondContact O-N 2.7Å
92T96Very high96.7Very high10 Ų1041.2 Ų41.26%0.06120%0.199CC..  trans-82.5138.9175.4-67.10000110.5I14 L19 L21 I44 P45I14-T92 HydrophobicContact CB-CG2 4.33Å; I14-T92 HydrophobicContact CD1-CG2 4.22Å; I14-T92 PolarHBondContact O-OG1 3.32Å; L19-T92 HydrophobicContact CB-CG2 3.83Å; L19-T92 PolarHBondContact N-OG1 2.82Å; L19-T92 VanDerWaalsContact N-OG1 3.14Å; L19-T92 CarbonylContact O-C 3.58Å; L19-T92 WeakPolarHBondContact O-CA 3.41Å; L21-T92 HydrophobicContact CD1-CG2 4.26Å; L21-T92 HydrophobicContact CG-CG2 4.31Å; I44-T92 HydrophobicContact CD1-CG2 3.9Å; I44-T92 HydrophobicContact CG2-CG2 4.36Å; P45-T92 WeakPolarHBondContact CD-O 3.45Å
93V97.3Very high96.6Very high0 Ų044 Ų440%021%0.212CC..EExtended strand (participates in β ladder)trans-137.6143.9-178.564.50000111.7L19 T20 L21 P45 L47 F86 I95L19-V93 PolarHBondContact O-N 3.48Å; T20-V93 HydrophobicContact CG2-CG1 4.39Å; L21-V93 PolarHBondContact N-O 3.01Å; P45-V93 HydrophobicContact CB-CG2 4.44Å; P45-V93 HydrophobicContact CG-CB 4.3Å; P45-V93 HydrophobicContact CG-CG2 4.1Å; L47-V93 HydrophobicContact CD1-CG2 3.94Å; L47-V93 HydrophobicContact CG-CG2 3.8Å; F86-V93 HydrophobicContact CB-CB 4.03Å; F86-V93 HydrophobicContact CB-CG1 3.77Å; F86-V93 HydrophobicContact CD1-CB 4.02Å; F86-V93 HydrophobicContact CD1-CG2 4.41Å; F86-V93 HydrophobicContact CD2-CB 4Å; F86-V93 HydrophobicContact CD2-CG1 4.09Å; F86-V93 HydrophobicContact CD2-CG2 3.92Å; F86-V93 HydrophobicContact CE2-CG2 4.03Å; F86-V93 HydrophobicContact CG-CB 3.73Å; F86-V93 HydrophobicContact CG-CG1 3.92Å; F86-V93 HydrophobicContact CG-CG2 4.13Å; F86-V93 HydrophobicContact CZ-CG2 4.32Å; V93-I95 HydrophobicContact CG1-CD1 4.43Å; V93-I95 HydrophobicContact CG1-CG1 4.39Å; V93-I95 HydrophobicContact CG2-CG1 4.32Å
94I98.4Very high96.6Very high0 Ų044.3 Ų44.30%021%0.213CC..EExtended strand (participates in β ladder)trans-98.3134.2169.5-52.2160.6000108.8L21 L23 L38 I44 P45 F46 L47L21-I94 HydrophobicContact CB-CG1 4.36Å; L21-I94 HydrophobicContact CD1-CG1 4.24Å; L21-I94 CarbonylContact O-C 3.54Å; L21-I94 VanDerWaalsContact O-CA 3.3Å; L21-I94 WeakPolarHBondContact O-CA 3.3Å; L23-I94 HydrophobicContact CD1-CG2 3.82Å; L23-I94 HydrophobicContact CG-CG2 3.81Å; L38-I94 HydrophobicContact CB-CD1 3.55Å; I44-I94 HydrophobicContact CD1-CD1 3.61Å; I44-I94 HydrophobicContact CD1-CG1 3.42Å; I44-I94 VanDerWaalsContact CD1-CG1 3.42Å; I44-I94 HydrophobicContact CG1-CD1 3.59Å; I44-I94 HydrophobicContact CG1-CG1 3.8Å; P45-I94 PolarHBondContact O-N 3.05Å; F46-I94 CarbonylContact C-O 3.59Å; F46-I94 WeakPolarHBondContact CA-O 3.24Å; F46-I94 HydrophobicContact CB-CB 4.38Å; F46-I94 HydrophobicContact CD2-CB 4.01Å; F46-I94 HydrophobicContact CD2-CG2 3.75Å; F46-I94 HydrophobicContact CE2-CG2 4.35Å; L47-I94 PolarHBondContact N-O 3.38Å
95I98.5Very high96.6Very high0 Ų041.1 Ų41.10%020%0.198CC..EExtended strand (participates in β ladder)trans-124.8118.7176.6-61-178.2000109.7T20 L21 I22 L23 L47 M79 A83 V93 C97T20-I95 HydrophobicContact CG2-CD1 3.97Å; L21-I95 PolarHBondContact O-N 3.21Å; I22-I95 CarbonylContact C-O 3.6Å; I22-I95 WeakPolarHBondContact CA-O 3.45Å; L23-I95 PolarHBondContact N-O 3.5Å; L47-I95 HydrophobicContact CB-CG1 4.37Å; L47-I95 HydrophobicContact CD1-CD1 4.48Å; L47-I95 HydrophobicContact CD1-CG1 4.28Å; L47-I95 WeakPolarHBondContact O-CA 3.47Å; M79-I95 HydrophobicContact CE-CG2 3.41Å; M79-I95 VanDerWaalsContact CE-CG2 3.41Å; A83-I95 HydrophobicContact CB-CD1 3.72Å; V93-I95 HydrophobicContact CG1-CD1 4.43Å; V93-I95 HydrophobicContact CG1-CG1 4.39Å; V93-I95 HydrophobicContact CG2-CG1 4.32Å; I95-C97 HydrophobicContact CG2-CB 4.2Å
96G98.4Very high96.6Very high0 Ų042.8 Ų42.80%021%0.205CC..EExtended strand (participates in β ladder)trans-82.1118168.200000109.5L47 G49L47-G96 PolarHBondContact O-N 3.43Å; G49-G96 VanDerWaalsContact CA-O 3.23Å; G49-G96 WeakPolarHBondContact CA-O 3.31Å; G49-G96 PolarHBondContact N-O 2.86Å
97C97.4Very high96.6Very high2 Ų246.4 Ų46.41%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-145.5141.1-178-175.40000110.3I22 L23 M24 K31 W75 I95 A99 L108I22-C97 HydrophobicContact CG2-CB 4.48Å; L23-C97 PolarHBondContact O-N 3.46Å; L23-C97 VanDerWaalsContact O-O 3.05Å; M24-C97 VanDerWaalsContact CA-O 3.28Å; M24-C97 WeakPolarHBondContact CA-O 3.45Å; K31-C97 VanDerWaalsContact CD-O 3.29Å; K31-C97 WeakPolarHBondContact CD-O 3.37Å; W75-C97 WeakPolarHBondContact CH2-SG 3.5Å; I95-C97 HydrophobicContact CG2-CB 4.2Å; C97-A99 HydrophobicContact CB-CB 4.48Å; C97-L108 HydrophobicContact CB-CD2 3.85Å
98S95.3Very high96.6Very high20 Ų2044.6 Ų44.614%0.1421%0.21CC..  trans-65.9-42.8177.857.80000112.2M24 L100M24-S98 WeakPolarHBondContact CG-O 3.35Å; S98-L100 VanDerWaalsContact O-CD2 3.25Å; S98-L100 WeakPolarHBondContact O-CD2 3.29Å; S98-L100 WeakPolarHBondContact O-CG 3.23Å; S98-L100 PolarHBondContact O-N 3.04Å
99A96.5Very high96.7Very high0 Ų040.2 Ų40.20%018%0.183CC..  trans40.736.4172.700000115.7M24 C97 K101 R105M24-A99 WeakPolarHBondContact CE-O 3.28Å; M24-A99 HydrophobicContact CG-CB 4.12Å; M24-A99 HydrophobicContact SD-CB 4.14Å; C97-A99 HydrophobicContact CB-CB 4.48Å; A99-K101 VanDerWaalsContact C-N 3.31Å; A99-K101 PolarHBondContact O-N 3.07Å; A99-R105 HydrophobicContact CB-CG 3.94Å; A99-R105 WeakPolarHBondContact O-CG 3.3Å; A99-R105 PolarHBondContact O-NH1 3.34Å
100L96.8Very high96.6Very high4 Ų435.2 Ų35.22%0.02117%0.172CC..  trans-65.3-25.3-165.5-59.5173.7000115.1M24 V26 S98 R105 Q148 I151 L152 E153M24-L100 HydrophobicContact CE-CD2 4.31Å; V26-L100 HydrophobicContact CG1-CD2 3.9Å; S98-L100 VanDerWaalsContact O-CD2 3.25Å; S98-L100 WeakPolarHBondContact O-CD2 3.29Å; S98-L100 WeakPolarHBondContact O-CG 3.23Å; S98-L100 PolarHBondContact O-N 3.04Å; L100-R105 PolarHBondContact O-NH1 3.44Å; L100-Q148 HydrophobicContact CD1-CB 3.66Å; L100-Q148 HydrophobicContact CD1-CG 3.74Å; L100-I151 HydrophobicContact CB-CD1 4.3Å; L100-I151 HydrophobicContact CB-CG1 4.23Å; L100-I151 HydrophobicContact CD1-CD1 4.03Å; L100-I151 HydrophobicContact CD1-CG1 4.08Å; L100-L152 HydrophobicContact CB-CD1 4.44Å; L100-L152 HydrophobicContact CD2-CD1 3.9Å; L100-E153 PolarHBondContact O-N 3.19Å
101K96.9Very high96.6Very high32 Ų3242.5 Ų42.514%0.13920%0.195CC..SBendtrans-101.7149.5175.4-59.8-173.7-178.2168.50111.4D69 A99 Q103 Y104 R105 E153D69-K101 IonicContact OD1-NZ 2.78Å; D69-K101 PolarHBondContact OD1-NZ 2.95Å; D69-K101 IonicContact OD2-NZ 3.87Å; D69-K101 PolarHBondContact OD2-NZ 3.45Å; A99-K101 VanDerWaalsContact C-N 3.31Å; A99-K101 PolarHBondContact O-N 3.07Å; K101-Q103 VanDerWaalsContact C-N 3.28Å; K101-Q103 HydrophobicContact CB-CG 3.82Å; K101-Q103 HydrophobicContact CD-CG 4.31Å; K101-Q103 PolarHBondContact O-N 2.86Å; K101-Y104 HydrophobicContact CB-CD1 4.18Å; K101-Y104 HydrophobicContact CB-CD2 3.81Å; K101-Y104 HydrophobicContact CB-CE1 4.26Å; K101-Y104 HydrophobicContact CB-CE2 3.89Å; K101-Y104 HydrophobicContact CB-CG 3.94Å; K101-Y104 HydrophobicContact CD-CE1 4.02Å; K101-Y104 HydrophobicContact CD-CE2 3.95Å; K101-Y104 HydrophobicContact CG-CD2 4.13Å; K101-Y104 HydrophobicContact CG-CE1 4.44Å; K101-Y104 HydrophobicContact CG-CE2 3.7Å; K101-Y104 PolarHBondContact NZ-OH 3.42Å; K101-Y104 WeakPolarHBondContact O-CA 3.25Å; K101-Y104 VanDerWaalsContact O-CB 3.3Å; K101-Y104 WeakPolarHBondContact O-CB 3.39Å; K101-Y104 PolarHBondContact O-N 3.25Å; K101-R105 VanDerWaalsContact C-NH1 3.33Å; K101-R105 PolarHBondContact O-N 3.42Å; K101-E153 WeakPolarHBondContact CA-OE2 3.33Å; K101-E153 WeakPolarHBondContact CG-OE1 3.46Å
102Q96.9Very high96.6Very high102 Ų10238.5 Ų38.548%0.47718%0.176SC..Hα-helixtrans-53-46173.4-179178.92300111.3Y104 R105 Q106 E153Q102-Y104 PolarHBondContact O-N 3.32Å; Q102-Y104 VanDerWaalsContact O-N 3.16Å; Q102-R105 WeakPolarHBondContact O-CB 3.42Å; Q102-R105 PolarHBondContact O-N 2.97Å; Q102-R105 VanDerWaalsContact O-N 3.1Å; Q102-Q106 PolarHBondContact O-N 3.18Å; Q102-E153 VanDerWaalsContact CB-OE2 3.29Å; Q102-E153 WeakPolarHBondContact CB-OE2 3.13Å; Q102-E153 PolarHBondContact N-OE2 2.81Å
103Q96Very high96.5Very high91 Ų9142.2 Ų42.243%0.42519%0.193SC..Hα-helixtrans-58.3-30.4176.454.3163.4-13.500113.1D69 K101 R107D69-Q103 PolarHBondContact OD2-NE2 2.89Å; K101-Q103 VanDerWaalsContact C-N 3.28Å; K101-Q103 HydrophobicContact CB-CG 3.82Å; K101-Q103 HydrophobicContact CD-CG 4.31Å; K101-Q103 PolarHBondContact O-N 2.86Å; Q103-R107 PolarHBondContact O-N 3.17Å; Q103-R107 VanDerWaalsContact O-N 3.15Å
104Y97.6Very high96.3Very high6 Ų649.3 Ų49.32%0.02423%0.226CC..Hα-helixtrans-73.3-42.8177.2-57.6-15.3000111.2D69 R72 L76 K101 Q102 R107 L108D69-Y104 PolarHBondContact OD1-OH 2.61Å; R72-Y104 WeakPolarHBondContact CD-OH 3.49Å; L76-Y104 HydrophobicContact CD1-CD1 3.6Å; L76-Y104 HydrophobicContact CD1-CE1 4.45Å; L76-Y104 HydrophobicContact CD1-CG 3.7Å; K101-Y104 HydrophobicContact CB-CD1 4.18Å; K101-Y104 HydrophobicContact CB-CD2 3.81Å; K101-Y104 HydrophobicContact CB-CE1 4.26Å; K101-Y104 HydrophobicContact CB-CE2 3.89Å; K101-Y104 HydrophobicContact CB-CG 3.94Å; K101-Y104 HydrophobicContact CD-CE1 4.02Å; K101-Y104 HydrophobicContact CD-CE2 3.95Å; K101-Y104 HydrophobicContact CG-CD2 4.13Å; K101-Y104 HydrophobicContact CG-CE1 4.44Å; K101-Y104 HydrophobicContact CG-CE2 3.7Å; K101-Y104 PolarHBondContact NZ-OH 3.42Å; K101-Y104 WeakPolarHBondContact O-CA 3.25Å; K101-Y104 VanDerWaalsContact O-CB 3.3Å; K101-Y104 WeakPolarHBondContact O-CB 3.39Å; K101-Y104 PolarHBondContact O-N 3.25Å; Q102-Y104 PolarHBondContact O-N 3.32Å; Q102-Y104 VanDerWaalsContact O-N 3.16Å; Y104-R107 PolarHBondContact O-N 3.43Å; Y104-L108 WeakPolarHBondContact O-CB 2.98Å; Y104-L108 PolarHBondContact O-N 3.42Å
105R97.7Very high96.1Very high2 Ų250.8 Ų50.81%0.00824%0.235CC..Hα-helixtrans-61.3-46.7174.7-66.3-175.6-72.3-9019110.8M24 A99 L100 K101 Q102 R107 L108 V109 I118 E153 E159 F160M24-R105 WeakPolarHBondContact SD-CD 3.42Å; M24-R105 HydrophobicContact SD-CG 3.95Å; A99-R105 HydrophobicContact CB-CG 3.94Å; A99-R105 WeakPolarHBondContact O-CG 3.3Å; A99-R105 PolarHBondContact O-NH1 3.34Å; L100-R105 PolarHBondContact O-NH1 3.44Å; K101-R105 VanDerWaalsContact C-NH1 3.33Å; K101-R105 PolarHBondContact O-N 3.42Å; Q102-R105 WeakPolarHBondContact O-CB 3.42Å; Q102-R105 PolarHBondContact O-N 2.97Å; Q102-R105 VanDerWaalsContact O-N 3.1Å; R105-R107 VanDerWaalsContact C-N 3.32Å; R105-R107 PolarHBondContact O-N 2.94Å; R105-L108 PolarHBondContact O-N 2.92Å; R105-L108 VanDerWaalsContact O-N 3.09Å; R105-V109 WeakPolarHBondContact O-CB 3.38Å; R105-V109 VanDerWaalsContact O-CG2 3.29Å; R105-V109 WeakPolarHBondContact O-CG2 3.4Å; R105-V109 PolarHBondContact O-N 2.87Å; R105-I118 HydrophobicContact CB-CD1 4Å; R105-I118 HydrophobicContact CG-CD1 4.18Å; R105-E153 PolarHBondContact NH1-O 3.24Å; R105-E153 PolarHBondContact NH2-O 3.04Å; R105-E159 IonicContact CZ-OE1 3.6Å; R105-E159 IonicContact CZ-OE2 3.29Å; R105-E159 IonicContact NE-OE1 3.51Å; R105-E159 PolarHBondContact NE-OE1 3.28Å; R105-E159 IonicContact NE-OE2 2.82Å; R105-E159 IonicContact NH2-OE1 2.83Å; R105-E159 PolarHBondContact NH2-OE1 3.08Å; R105-E159 IonicContact NH2-OE2 2.64Å; R105-E159 PolarHBondContact NH2-OE2 3.25Å; R105-F160 HydrophobicContact CB-CD2 4.41Å; R105-F160 HydrophobicContact CB-CE2 3.91Å
106Q96.5Very high96Very high123 Ų12350.8 Ų50.858%0.57524%0.235SC*.Hα-helixtrans-55.9-45.3176.2-169.9-178.616.600112.2Q102 L108 G110 F160Q102-Q106 PolarHBondContact O-N 3.18Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-L108 PolarHBondContact O-N 3.17Å; Q106-G110 PolarHBondContact O-N 3.49Å; Q106-F160 HydrophobicContact CB-CZ 3.88Å; Q106-F160 HydrophobicContact CG-CZ 4.18Å
107R96.3Very high95.9Very high116 Ų11652.8 Ų52.844%0.43824%0.243SC..Hα-helixtrans-65.9-36.4177.7-167.6168.3-175.1123.62112.7A73 L76 S80 Q103 Y104 R105A73-R107 PolarHBondContact O-NE 3.09Å; A73-R107 VanDerWaalsContact O-NE 3.11Å; A73-R107 PolarHBondContact O-NH2 3.5Å; L76-R107 HydrophobicContact CB-CG 4.19Å; S80-R107 VanDerWaalsContact CB-O 3.3Å; S80-R107 WeakPolarHBondContact CB-O 3.44Å; S80-R107 PolarHBondContact OG-O 3.37Å; Q103-R107 PolarHBondContact O-N 3.17Å; Q103-R107 VanDerWaalsContact O-N 3.15Å; Y104-R107 PolarHBondContact O-N 3.43Å; R105-R107 VanDerWaalsContact C-N 3.32Å; R105-R107 PolarHBondContact O-N 2.94Å
108L96.1Very high95.9Very high0 Ų052.7 Ų52.70%024%0.242CC..Hα-helixtrans-73.8-38.2179.4-171.158.3000112.5I22 M79 C97 Y104 R105 Q106 R112I22-L108 HydrophobicContact CB-CD2 4.48Å; I22-L108 HydrophobicContact CD1-CB 4.35Å; I22-L108 HydrophobicContact CD1-CD2 3.62Å; I22-L108 HydrophobicContact CD1-CG 3.63Å; I22-L108 HydrophobicContact CG1-CD2 3.91Å; I22-L108 HydrophobicContact CG1-CG 4.25Å; I22-L108 HydrophobicContact CG2-CD2 3.73Å; M79-L108 HydrophobicContact CB-CD1 3.58Å; C97-L108 HydrophobicContact CB-CD2 3.85Å; Y104-L108 WeakPolarHBondContact O-CB 2.98Å; Y104-L108 PolarHBondContact O-N 3.42Å; R105-L108 PolarHBondContact O-N 2.92Å; R105-L108 VanDerWaalsContact O-N 3.09Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-L108 PolarHBondContact O-N 3.17Å; L108-R112 PolarHBondContact O-NH2 3.07Å
109V96.6Very high96Very high0 Ų051.8 Ų51.80%024%0.236CC..Hα-helixtrans-67.8-47.5173.5172.90000110.4I22 R105 R111 R112 E113 T116 I118 F160I22-V109 HydrophobicContact CD1-CG2 4.44Å; R105-V109 WeakPolarHBondContact O-CB 3.38Å; R105-V109 VanDerWaalsContact O-CG2 3.29Å; R105-V109 WeakPolarHBondContact O-CG2 3.4Å; R105-V109 PolarHBondContact O-N 2.87Å; V109-R111 PolarHBondContact O-N 2.98Å; V109-R112 PolarHBondContact O-N 3.49Å; V109-R112 PolarHBondContact O-NH2 3.28Å; V109-E113 HydrophobicContact CG1-CB 3.91Å; V109-E113 HydrophobicContact CG1-CG 4.45Å; V109-T116 HydrophobicContact CB-CG2 4.47Å; V109-T116 HydrophobicContact CG2-CG2 3.87Å; V109-I118 HydrophobicContact CG2-CD1 3.9Å; V109-I118 HydrophobicContact CG2-CG1 4.48Å; V109-F160 HydrophobicContact CB-CD1 4.49Å; V109-F160 HydrophobicContact CB-CE1 4.42Å; V109-F160 HydrophobicContact CG1-CD1 4.11Å; V109-F160 HydrophobicContact CG1-CE1 4.28Å; V109-F160 HydrophobicContact CG2-CD1 4.24Å; V109-F160 HydrophobicContact CG2-CD2 4.17Å; V109-F160 HydrophobicContact CG2-CE1 4.45Å; V109-F160 HydrophobicContact CG2-CE2 4.4Å; V109-F160 HydrophobicContact CG2-CG 4.1Å
110G94.2Very high96.1Very high38 Ų3852.3 Ų52.339%0.39224%0.238SC..THydrogen-bonded Turntrans57.6-132.3-177.300000111.7Q106 R112Q106-G110 PolarHBondContact O-N 3.49Å; G110-R112 VanDerWaalsContact C-N 3.3Å
111R94.4Very high96.2Very high251 Ų25152.1 Ų52.195%0.94724%0.237SC*.THydrogen-bonded Turntrans-87.86.7179.4-62.6-177.4178.9172.2-0.9113.9V109V109-R111 PolarHBondContact O-N 2.98Å
112R94.3Very high96.2Very high11 Ų1154.2 Ų54.24%0.04225%0.247CC..  trans-101.826.8-172.7-59.6175.2-63.5-76.8-3.7112.5S80 Q84 L108 V109 G110 Q114 T115 T116S80-R112 PolarHBondContact O-NH1 3.04Å; S80-R112 PolarHBondContact O-NH2 3.38Å; S80-R112 PolarHBondContact OG-NH2 3.31Å; Q84-R112 VanDerWaalsContact OE1-CD 3.31Å; L108-R112 PolarHBondContact O-NH2 3.07Å; V109-R112 PolarHBondContact O-N 3.49Å; V109-R112 PolarHBondContact O-NH2 3.28Å; G110-R112 VanDerWaalsContact C-N 3.3Å; R112-Q114 VanDerWaalsContact C-N 3.31Å; R112-Q114 PolarHBondContact O-N 3.27Å; R112-T115 CarbonylContact O-C 3.54Å; R112-T115 PolarHBondContact O-N 3.47Å; R112-T115 PolarHBondContact O-OG1 2.83Å; R112-T116 WeakPolarHBondContact CB-OG1 3.42Å; R112-T116 VanDerWaalsContact O-CB 3.24Å; R112-T116 WeakPolarHBondContact O-CB 3.43Å; R112-T116 PolarHBondContact O-N 3.26Å; R112-T116 PolarHBondContact O-OG1 2.84Å
113E94.6Very high96.3Very high89 Ų8949.4 Ų49.442%0.41623%0.225SC..G310 helixtrans-53-47.4-173.4-176.9168.7-171.500112.5V109 T115 T116 F160V109-E113 HydrophobicContact CG1-CB 3.91Å; V109-E113 HydrophobicContact CG1-CG 4.45Å; E113-T115 PolarHBondContact O-N 3.44Å; E113-T115 VanDerWaalsContact O-N 3.11Å; E113-T116 PolarHBondContact O-N 2.76Å; E113-T116 VanDerWaalsContact O-N 3.17Å; E113-F160 HydrophobicContact CG-CD1 4.04Å
114Q92.9Very high96.3Very high148 Ų14847.6 Ų47.669%0.69222%0.221SC*.G310 helixtrans-62-23.7-179.9-63.4-59.2-26.300114.2R112R112-Q114 VanDerWaalsContact C-N 3.31Å; R112-Q114 PolarHBondContact O-N 3.27Å
115T94.5Very high96.2Very high32 Ų3249.7 Ų49.720%0.19623%0.232CC..G310 helixtrans-11616.3-178.4610000112.5L19 T20 H87 R112 E113L19-T115 CarbonylContact C-O 3.51Å; L19-T115 VanDerWaalsContact CA-O 3.32Å; L19-T115 WeakPolarHBondContact CA-O 3.42Å; T20-T115 PolarHBondContact N-O 2.94Å; H87-T115 PolarHBondContact CE1-OG1 2.96Å; H87-T115 PolarHBondContact ND1-OG1 2.88Å; R112-T115 CarbonylContact O-C 3.54Å; R112-T115 PolarHBondContact O-N 3.47Å; R112-T115 PolarHBondContact O-OG1 2.83Å; E113-T115 PolarHBondContact O-N 3.44Å; E113-T115 VanDerWaalsContact O-N 3.11Å
116T96.1Very high96Very high0 Ų056 Ų560%026%0.262CS..EExtended strand (participates in β ladder)trans-121.6123.1-179.3-580000110.3T20 I22 V109 R112 E113 H161T20-T116 HydrophobicContact CG2-CG2 4.28Å; T20-T116 CarbonylContact O-C 3.42Å; T20-T116 WeakPolarHBondContact O-CA 3.18Å; I22-T116 HydrophobicContact CD1-CG2 3.42Å; I22-T116 VanDerWaalsContact CD1-CG2 3.42Å; I22-T116 HydrophobicContact CG1-CG2 4.19Å; V109-T116 HydrophobicContact CB-CG2 4.47Å; V109-T116 HydrophobicContact CG2-CG2 3.87Å; R112-T116 WeakPolarHBondContact CB-OG1 3.42Å; R112-T116 VanDerWaalsContact O-CB 3.24Å; R112-T116 WeakPolarHBondContact O-CB 3.43Å; R112-T116 PolarHBondContact O-N 3.26Å; R112-T116 PolarHBondContact O-OG1 2.84Å; E113-T116 PolarHBondContact O-N 2.76Å; E113-T116 VanDerWaalsContact O-N 3.17Å; T116-H161 WeakPolarHBondContact O-CB 3.42Å
117W96.5Very high95.9Very high41 Ų4153.3 Ų53.316%0.15525%0.25CC..EExtended strand (participates in β ladder)trans-110.8134.2176.1-70.684.6000109.7T20 L21 I22 F119 H161 V163 F181 L185T20-W117 PolarHBondContact O-N 2.77Å; L21-W117 HydrophobicContact CD2-CB 4.1Å; I22-W117 PolarHBondContact N-O 2.97Å; W117-F119 HydrophobicContact CB-CE2 3.93Å; W117-F119 HydrophobicContact CB-CZ 4.32Å; W117-H161 HydrophobicContact CD2-CB 3.7Å; W117-H161 AromaticContact CE2-ND1 3.81Å; W117-H161 HydrophobicContact CE3-CB 3.46Å; W117-H161 VanDerWaalsContact CE3-CB 3.46Å; W117-H161 HydrophobicContact CG-CB 4.31Å; W117-H161 HydrophobicContact CH2-CB 4Å; W117-H161 HydrophobicContact CZ2-CB 4.23Å; W117-H161 AromaticContact CZ2-ND1 3.82Å; W117-H161 HydrophobicContact CZ3-CB 3.59Å; W117-V163 HydrophobicContact CE3-CG2 4.14Å; W117-V163 HydrophobicContact CZ3-CG2 4.22Å; W117-F181 HydrophobicContact CD2-CE1 4.01Å; W117-F181 AromaticContact CE3-CE1 3.39Å; W117-F181 HydrophobicContact CE3-CE1 3.39Å; W117-F181 AromaticContact CE3-CZ 3.67Å; W117-F181 HydrophobicContact CE3-CZ 3.67Å; W117-F181 AromaticContact CH2-CE1 3.99Å; W117-F181 HydrophobicContact CH2-CE1 3.99Å; W117-F181 AromaticContact CH2-CZ 3.72Å; W117-F181 HydrophobicContact CH2-CZ 3.72Å; W117-F181 HydrophobicContact CZ2-CE1 4.5Å; W117-F181 AromaticContact CZ3-CE1 3.42Å; W117-F181 HydrophobicContact CZ3-CE1 3.42Å; W117-F181 VanDerWaalsContact CZ3-CE1 3.42Å; W117-F181 HydrophobicContact CZ3-CE2 4.43Å; W117-F181 AromaticContact CZ3-CZ 3.18Å; W117-F181 HydrophobicContact CZ3-CZ 3.18Å; W117-L185 HydrophobicContact CD2-CD1 4.16Å; W117-L185 HydrophobicContact CH2-CD1 4.48Å; W117-L185 HydrophobicContact CH2-CD2 3.48Å; W117-L185 VanDerWaalsContact CH2-CD2 3.48Å; W117-L185 HydrophobicContact CZ2-CD1 3.71Å; W117-L185 HydrophobicContact CZ2-CD2 3.3Å; W117-L185 HydrophobicContact CZ2-CG 4.14Å; W117-L185 HydrophobicContact CZ3-CD2 4.31Å
118I97.8Very high95.9Very high1 Ų147.8 Ų47.81%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-109.3115.3176.5-56.4178.1000108.2I22 M24 R105 V109 F160 H161 T162 V163I22-I118 HydrophobicContact CB-CG1 4.29Å; I22-I118 HydrophobicContact CD1-CG1 4.05Å; I22-I118 HydrophobicContact CG2-CG2 4.48Å; M24-I118 HydrophobicContact CB-CG2 3.92Å; M24-I118 HydrophobicContact SD-CG2 4.38Å; R105-I118 HydrophobicContact CB-CD1 4Å; R105-I118 HydrophobicContact CG-CD1 4.18Å; V109-I118 HydrophobicContact CG2-CD1 3.9Å; V109-I118 HydrophobicContact CG2-CG1 4.48Å; I118-F160 HydrophobicContact CD1-CB 4.36Å; I118-F160 HydrophobicContact CD1-CD2 3.77Å; I118-F160 HydrophobicContact CD1-CG 4.38Å; I118-H161 PolarHBondContact N-O 3.01Å; I118-T162 HydrophobicContact CB-CG2 4.27Å; I118-T162 HydrophobicContact CG2-CG2 4.24Å; I118-T162 CarbonylContact O-C 3.52Å; I118-T162 VanDerWaalsContact O-CA 3.3Å; I118-T162 WeakPolarHBondContact O-CA 3.42Å; I118-V163 PolarHBondContact O-N 3.46Å
119F97.9Very high95.8Very high1 Ų151.5 Ų51.50%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-96.6104.1170.2-62.2-83.4000108.7L21 I22 L23 M24 W117 L121 V163 V165 I178 F181 L182L21-F119 HydrophobicContact CB-CE2 4.36Å; L21-F119 HydrophobicContact CD2-CE2 4.26Å; I22-F119 PolarHBondContact O-N 3.48Å; L23-F119 HydrophobicContact CD2-CB 3.88Å; L23-F119 HydrophobicContact CD2-CD2 4.17Å; L23-F119 HydrophobicContact CD2-CG 4.32Å; M24-F119 PolarHBondContact N-O 3.44Å; W117-F119 HydrophobicContact CB-CE2 3.93Å; W117-F119 HydrophobicContact CB-CZ 4.32Å; F119-L121 PolarHBondContact O-N 2.93Å; F119-V163 CarbonylContact C-O 3.54Å; F119-V163 WeakPolarHBondContact CA-O 3.24Å; F119-V163 HydrophobicContact CD1-CB 3.95Å; F119-V163 HydrophobicContact CD1-CG1 4.31Å; F119-V163 HydrophobicContact CE1-CB 4.14Å; F119-V163 HydrophobicContact CE1-CG1 4.45Å; F119-V163 HydrophobicContact CE1-CG2 4.3Å; F119-V165 HydrophobicContact CB-CG2 4.37Å; F119-V165 HydrophobicContact CD1-CG2 3.96Å; F119-I178 HydrophobicContact CB-CD1 4.46Å; F119-I178 HydrophobicContact CD1-CD1 4.39Å; F119-I178 HydrophobicContact CD1-CG1 3.91Å; F119-I178 HydrophobicContact CD1-CG2 4.22Å; F119-I178 HydrophobicContact CD2-CG2 4.45Å; F119-I178 HydrophobicContact CE1-CB 4.45Å; F119-I178 HydrophobicContact CE1-CG1 4.24Å; F119-I178 HydrophobicContact CE1-CG2 3.9Å; F119-I178 HydrophobicContact CE2-CG2 4.15Å; F119-I178 HydrophobicContact CG-CD1 4.38Å; F119-I178 HydrophobicContact CG-CG1 4.38Å; F119-I178 HydrophobicContact CG-CG2 4.48Å; F119-I178 HydrophobicContact CZ-CG2 3.87Å; F119-F181 AromaticContact CE1-CD1 3.76Å; F119-F181 HydrophobicContact CE1-CD1 3.76Å; F119-F181 HydrophobicContact CE1-CE1 4.36Å; F119-F181 HydrophobicContact CE1-CG 4.28Å; F119-F181 AromaticContact CZ-CD1 3.85Å; F119-F181 HydrophobicContact CZ-CD1 3.85Å; F119-F181 HydrophobicContact CZ-CE1 4.34Å; F119-L182 HydrophobicContact CE2-CD2 4.45Å; F119-L182 HydrophobicContact CZ-CD2 4.02Å; F119-L182 HydrophobicContact CZ-CG 4.33Å
120Y98.1Very high95.6Very high10 Ų1054.4 Ų54.44%0.03927%0.271CS..EExtended strand (participates in β ladder)trans-79.3104.3174.1173.5-142.8000109.7M24 H122 L152 P155 V163 T164 V165M24-Y120 HydrophobicContact CG-CD2 4.3Å; Y120-H122 HydrophobicContact CD1-CB 4.44Å; Y120-H122 HydrophobicContact CE1-CB 4.03Å; Y120-H122 AromaticContact CZ-CD2 3.94Å; Y120-H122 PolarHBondContact O-N 3.4Å; Y120-H122 VanDerWaalsContact O-N 3.08Å; Y120-H122 PolarHBondContact OH-CD2 2.85Å; Y120-L152 HydrophobicContact CE2-CD1 4.46Å; Y120-L152 WeakPolarHBondContact OH-CD2 3.25Å; Y120-P155 HydrophobicContact CD1-CG 4.29Å; Y120-P155 HydrophobicContact CG-CG 4.32Å; Y120-V163 PolarHBondContact N-O 2.9Å; Y120-T164 HydrophobicContact CD1-CG2 3.95Å; Y120-T164 HydrophobicContact CE1-CG2 4.48Å; Y120-V165 PolarHBondContact O-N 3.48Å
121L98.4Very high95.5Very high0 Ų056.1 Ų56.10%027%0.265CS..EExtended strand (participates in β ladder)trans-77.491175.9-56.6-175.4000109.5L23 M24 S29 K31 I34 F119 V165 A167 V174 I178L23-L121 HydrophobicContact CB-CD1 4.24Å; M24-L121 WeakPolarHBondContact O-CB 3.48Å; M24-L121 PolarHBondContact O-N 2.79Å; S29-L121 WeakPolarHBondContact CB-O 3.27Å; K31-L121 HydrophobicContact CB-CD1 4.46Å; K31-L121 HydrophobicContact CG-CD1 4.01Å; I34-L121 HydrophobicContact CB-CD1 4.45Å; I34-L121 HydrophobicContact CD1-CD1 3.69Å; I34-L121 HydrophobicContact CD1-CD2 4.31Å; F119-L121 PolarHBondContact O-N 2.93Å; L121-V165 HydrophobicContact CD2-CB 4.16Å; L121-V165 HydrophobicContact CD2-CG1 4.36Å; L121-A167 HydrophobicContact CB-CB 3.82Å; L121-A167 HydrophobicContact CD2-CB 4.39Å; L121-V174 HydrophobicContact CD2-CG1 4.25Å; L121-I178 HydrophobicContact CD2-CD1 4.28Å
122H97.9Very high95.3Very high76 Ų7644.5 Ų44.535%0.35222%0.222SC..EExtended strand (participates in β ladder)trans-80.2131.5-179.7176.7-97.4000110.7Y120 T164 V165 A167Y120-H122 HydrophobicContact CD1-CB 4.44Å; Y120-H122 HydrophobicContact CE1-CB 4.03Å; Y120-H122 AromaticContact CZ-CD2 3.94Å; Y120-H122 PolarHBondContact O-N 3.4Å; Y120-H122 VanDerWaalsContact O-N 3.08Å; Y120-H122 PolarHBondContact OH-CD2 2.85Å; H122-T164 HydrophobicContact CB-CG2 4.05Å; H122-V165 PolarHBondContact N-O 3.12Å; H122-A167 PolarHBondContact O-N 3.42Å
123V97.4Very high95Very high1 Ų148.3 Ų48.31%0.00625%0.25CC..  trans-141.3146.8170.3-70.20000109.4V26 A128 Y149 A167V26-V123 HydrophobicContact CG2-CG2 4.02Å; V123-A128 HydrophobicContact CG2-CB 3.89Å; V123-Y149 PolarHBondContact O-OH 3.08Å; V123-A167 HydrophobicContact CG1-CB 3.81Å; V123-A167 WeakPolarHBondContact CG1-O 3.29Å
124P96.4Very high94.6Very high54 Ų5448.3 Ų48.335%0.35126%0.26SS..  trans-62.5150.7168.5-22.634.1000112.2E126 M127 A128 Y149P124-E126 VanDerWaalsContact C-N 3.31Å; P124-E126 PolarHBondContact O-N 3.26Å; P124-M127 PolarHBondContact O-N 3.18Å; P124-A128 PolarHBondContact O-N 2.86Å; P124-Y149 VanDerWaalsContact C-OH 3.28Å; P124-Y149 PolarHBondContact O-OH 2.83Å
125L94.8Very high94.1Very high49 Ų4946.8 Ų46.826%0.25725%0.248SC..Hα-helixtrans-57.1-44.8-177.5-179.8155.7000111.7M127 A128 Q129 Y149L125-M127 VanDerWaalsContact C-N 3.28Å; L125-M127 PolarHBondContact O-N 3.01Å; L125-A128 PolarHBondContact O-N 2.88Å; L125-Q129 WeakPolarHBondContact O-CB 3.31Å; L125-Q129 PolarHBondContact O-N 2.83Å; L125-Y149 WeakPolarHBondContact CA-OH 3.45Å; L125-Y149 HydrophobicContact CB-CD2 4.16Å; L125-Y149 HydrophobicContact CB-CE1 4.39Å; L125-Y149 HydrophobicContact CB-CE2 3.82Å; L125-Y149 HydrophobicContact CD1-CD2 3.92Å; L125-Y149 HydrophobicContact CD1-CE2 4.38Å; L125-Y149 HydrophobicContact CD1-CG 4.24Å; L125-Y149 HydrophobicContact CG-CD2 4.01Å; L125-Y149 HydrophobicContact CG-CE2 3.97Å; L125-Y149 PolarHBondContact N-OH 2.86Å
126E94.4Very high92.8Very high135 Ų13551.8 Ų51.863%0.63128%0.278SS*.Hα-helixtrans-62.3-39.5-177.3-6071.3-154.900110.7P124 Q129 A130P124-E126 VanDerWaalsContact C-N 3.31Å; P124-E126 PolarHBondContact O-N 3.26Å; E126-Q129 PolarHBondContact O-N 3.18Å; E126-A130 WeakPolarHBondContact O-CB 3.5Å; E126-A130 PolarHBondContact O-N 3.48Å
127M95.4Very high91.2Very high66 Ų6655.6 Ų55.633%0.32532%0.318SS..Hα-helixtrans-69.9-44.4177.1-176.4176.7-68.900111.5P124 L125 Q129 A130 R131 S168P124-M127 PolarHBondContact O-N 3.18Å; L125-M127 VanDerWaalsContact C-N 3.28Å; L125-M127 PolarHBondContact O-N 3.01Å; M127-Q129 VanDerWaalsContact C-N 3.28Å; M127-Q129 PolarHBondContact O-N 3.22Å; M127-A130 PolarHBondContact O-N 3.07Å; M127-R131 WeakPolarHBondContact O-CB 3.41Å; M127-R131 VanDerWaalsContact O-CG 3.28Å; M127-R131 WeakPolarHBondContact O-CG 3.35Å; M127-R131 PolarHBondContact O-N 3.06Å; M127-R131 PolarHBondContact SD-NH2 3.24Å; M127-S168 VanDerWaalsContact SD-CA 3.54Å
128A95.1Very high89.4Confident0 Ų060.3 Ų60.30%034%0.341CS..Hα-helixtrans-59.4-42.8174.700000111V26 V123 P124 L125 R131 L132 L145 Y149V26-A128 HydrophobicContact CG2-CB 4.35Å; V123-A128 HydrophobicContact CG2-CB 3.89Å; P124-A128 PolarHBondContact O-N 2.86Å; L125-A128 PolarHBondContact O-N 2.88Å; A128-R131 PolarHBondContact O-N 2.81Å; A128-L132 VanDerWaalsContact O-CG 3.25Å; A128-L132 WeakPolarHBondContact O-CG 3.47Å; A128-L132 PolarHBondContact O-N 3.06Å; A128-L145 HydrophobicContact CB-CD1 4.07Å; A128-L145 HydrophobicContact CB-CD2 3.79Å; A128-Y149 HydrophobicContact CB-CE2 4.37Å
129Q93.3Very high87.6Confident79 Ų7968.2 Ų68.237%0.36938%0.376SS..Hα-helixtrans-62.7-48.2176.9-173.8171.1-31.800111.4L125 E126 M127 R131 L132 S133 L145L125-Q129 WeakPolarHBondContact O-CB 3.31Å; L125-Q129 PolarHBondContact O-N 2.83Å; E126-Q129 PolarHBondContact O-N 3.18Å; M127-Q129 VanDerWaalsContact C-N 3.28Å; M127-Q129 PolarHBondContact O-N 3.22Å; Q129-R131 VanDerWaalsContact C-N 3.33Å; Q129-R131 PolarHBondContact O-N 2.94Å; Q129-L132 PolarHBondContact O-N 2.68Å; Q129-L132 VanDerWaalsContact O-N 3.16Å; Q129-S133 WeakPolarHBondContact O-CB 3.44Å; Q129-S133 PolarHBondContact O-N 2.79Å; Q129-S133 PolarHBondContact O-OG 3.38Å; Q129-S133 VanDerWaalsContact O-OG 3.05Å; Q129-L145 HydrophobicContact CB-CD2 3.76Å; Q129-L145 VanDerWaalsContact N-CD2 3.34Å
130A92.4Very high86.2Confident61 Ų6170.7 Ų70.750%0.50439%0.387SS..Hα-helixtrans-59-43.3177.200000112.1E126 M127 L132 S133 S134E126-A130 WeakPolarHBondContact O-CB 3.5Å; E126-A130 PolarHBondContact O-N 3.48Å; M127-A130 PolarHBondContact O-N 3.07Å; A130-L132 VanDerWaalsContact C-N 3.31Å; A130-L132 PolarHBondContact O-N 3.49Å; A130-S133 PolarHBondContact O-N 2.84Å; A130-S134 PolarHBondContact O-N 2.96Å; A130-S134 PolarHBondContact O-OG 3.38Å
131R93.2Very high85.3Confident74 Ų7473.3 Ų73.328%0.27940%0.398SS..Hα-helixtrans-65.1-30.3176.7-73.1173.6179.2-175.91.6113.4G28 M127 A128 Q129 S134 R135 A167G28-R131 WeakPolarHBondContact O-CD 3.45Å; G28-R131 PolarHBondContact O-NH1 2.97Å; M127-R131 WeakPolarHBondContact O-CB 3.41Å; M127-R131 VanDerWaalsContact O-CG 3.28Å; M127-R131 WeakPolarHBondContact O-CG 3.35Å; M127-R131 PolarHBondContact O-N 3.06Å; M127-R131 PolarHBondContact SD-NH2 3.24Å; A128-R131 PolarHBondContact O-N 2.81Å; Q129-R131 VanDerWaalsContact C-N 3.33Å; Q129-R131 PolarHBondContact O-N 2.94Å; R131-S134 PolarHBondContact O-OG 3.1Å; R131-R135 WeakPolarHBondContact O-CG 3.3Å; R131-A167 PolarHBondContact NH1-O 2.84Å; R131-A167 VanDerWaalsContact NH1-O 3.08Å; R131-A167 PolarHBondContact NH2-O 3Å
132L90.3Very high84.3Confident7 Ų776 Ų764%0.03742%0.416CS..Hα-helixtrans-82.1-39.2178-70.3171.7000111.6A128 Q129 A130 S134 R135 F140 L145A128-L132 VanDerWaalsContact O-CG 3.25Å; A128-L132 WeakPolarHBondContact O-CG 3.47Å; A128-L132 PolarHBondContact O-N 3.06Å; Q129-L132 PolarHBondContact O-N 2.68Å; Q129-L132 VanDerWaalsContact O-N 3.16Å; A130-L132 VanDerWaalsContact C-N 3.31Å; A130-L132 PolarHBondContact O-N 3.49Å; L132-S134 PolarHBondContact O-N 2.98Å; L132-R135 WeakPolarHBondContact O-CB 3.47Å; L132-R135 PolarHBondContact O-N 3.18Å; L132-R135 VanDerWaalsContact O-N 3.15Å; L132-F140 HydrophobicContact CB-CB 4.11Å; L132-F140 HydrophobicContact CB-CD1 4.33Å; L132-F140 HydrophobicContact CB-CG 4.28Å; L132-F140 HydrophobicContact CD1-CD1 3.5Å; L132-F140 VanDerWaalsContact CD1-CD1 3.5Å; L132-F140 HydrophobicContact CD1-CD2 4.3Å; L132-F140 HydrophobicContact CD1-CE1 3.61Å; L132-F140 HydrophobicContact CD1-CE2 4.38Å; L132-F140 HydrophobicContact CD1-CG 3.86Å; L132-F140 HydrophobicContact CD1-CZ 4.05Å; L132-F140 HydrophobicContact CD2-CB 4.42Å; L132-F140 HydrophobicContact CD2-CD2 4.17Å; L132-F140 HydrophobicContact CD2-CG 4.13Å; L132-F140 HydrophobicContact CG-CD1 4.35Å; L132-F140 HydrophobicContact CG-CG 4.32Å; L132-L145 HydrophobicContact CD1-CB 4.44Å; L132-L145 HydrophobicContact CD1-CD1 4.09Å; L132-L145 HydrophobicContact CD1-CD2 4.12Å; L132-L145 HydrophobicContact CD1-CG 4.46Å
133S87.9Confident83.5Confident90 Ų9079.4 Ų79.463%0.62943%0.426SS*.Hα-helixtrans-64.7-27.6177-62.30000113.2Q129 A130 R135Q129-S133 WeakPolarHBondContact O-CB 3.44Å; Q129-S133 PolarHBondContact O-N 2.79Å; Q129-S133 PolarHBondContact O-OG 3.38Å; Q129-S133 VanDerWaalsContact O-OG 3.05Å; A130-S133 PolarHBondContact O-N 2.84Å; S133-R135 VanDerWaalsContact C-N 3.32Å
134S86.9Confident82.9Confident90 Ų9080.1 Ų80.163%0.62943%0.43SS*.THydrogen-bonded Turntrans-81.9-5.6176.263.90000114.2A130 R131 L132 T136A130-S134 PolarHBondContact O-N 2.96Å; A130-S134 PolarHBondContact O-OG 3.38Å; R131-S134 PolarHBondContact O-OG 3.1Å; L132-S134 PolarHBondContact O-N 2.98Å; S134-T136 PolarHBondContact O-N 3.39Å
135R82Confident82.7Confident115 Ų11577.6 Ų77.643%0.43441%0.413SS..  trans-75.3113.4176.8-67.4-178.4178.4-163.5-4.5110.1R131 L132 S133R131-R135 WeakPolarHBondContact O-CG 3.3Å; L132-R135 WeakPolarHBondContact O-CB 3.47Å; L132-R135 PolarHBondContact O-N 3.18Å; L132-R135 VanDerWaalsContact O-N 3.15Å; S133-R135 VanDerWaalsContact C-N 3.32Å
136T67.1Low82.5Confident137 Ų13781.1 Ų81.184%0.8443%0.426SS*.THydrogen-bonded Turntrans-68.6143.1169.352.10000110.3S134 H138S134-T136 PolarHBondContact O-N 3.39Å; T136-H138 VanDerWaalsContact C-N 3.31Å; T136-H138 PolarHBondContact O-N 3.48Å
137G62.7Low82.3Confident80 Ų8076.1 Ų76.183%0.82541%0.407SS*.THydrogen-bonded Turntrans82-9.917400000116.9
138H58.7Low82.3Confident141 Ų14174 Ų7465%0.65340%0.396SS*.  trans-131.594.7175.3-65.1-64000110.4T136 F140T136-H138 VanDerWaalsContact C-N 3.31Å; T136-H138 PolarHBondContact O-N 3.48Å; H138-F140 VanDerWaalsContact C-N 3.27Å; H138-F140 PolarHBondContact O-N 2.85Å
139F60Low82.3Confident167 Ų16776.3 Ų76.373%0.73241%0.405SS*.  trans-6888.3172.6-167.1-90.1000109.2K141F139-K141 HydrophobicContact CD1-CD 3.56Å; F139-K141 HydrophobicContact CE1-CD 3.55Å; F139-K141 VanDerWaalsContact CE1-NZ 3.32Å; F139-K141 PolarHBondContact O-N 2.76Å
140F68.8Low82.3Confident52 Ų5278.9 Ų78.923%0.22842%0.417CS..  trans-74.9124.6176-167.9-82.1000109L132 H138 P142 L144 L145L132-F140 HydrophobicContact CB-CB 4.11Å; L132-F140 HydrophobicContact CB-CD1 4.33Å; L132-F140 HydrophobicContact CB-CG 4.28Å; L132-F140 HydrophobicContact CD1-CD1 3.5Å; L132-F140 VanDerWaalsContact CD1-CD1 3.5Å; L132-F140 HydrophobicContact CD1-CD2 4.3Å; L132-F140 HydrophobicContact CD1-CE1 3.61Å; L132-F140 HydrophobicContact CD1-CE2 4.38Å; L132-F140 HydrophobicContact CD1-CG 3.86Å; L132-F140 HydrophobicContact CD1-CZ 4.05Å; L132-F140 HydrophobicContact CD2-CB 4.42Å; L132-F140 HydrophobicContact CD2-CD2 4.17Å; L132-F140 HydrophobicContact CD2-CG 4.13Å; L132-F140 HydrophobicContact CG-CD1 4.35Å; L132-F140 HydrophobicContact CG-CG 4.32Å; H138-F140 VanDerWaalsContact C-N 3.27Å; H138-F140 PolarHBondContact O-N 2.85Å; F140-P142 WeakPolarHBondContact O-CD 3.35Å; F140-L144 HydrophobicContact CE1-CB 3.91Å; F140-L144 HydrophobicContact CE1-CD2 4.31Å; F140-L144 HydrophobicContact CE1-CG 4.25Å; F140-L144 HydrophobicContact CE2-CD2 3.87Å; F140-L144 HydrophobicContact CZ-CB 4.02Å; F140-L144 HydrophobicContact CZ-CD2 3.68Å; F140-L144 HydrophobicContact CZ-CG 3.82Å; F140-L145 HydrophobicContact CE1-CB 3.78Å
141K77.3Confident82.5Confident65 Ų6578.8 Ų78.828%0.28341%0.407SS..  trans-73.2123.2-176.4-60.9-56.3-167.1175.90110.5F139 W143 L144F139-K141 HydrophobicContact CD1-CD 3.56Å; F139-K141 HydrophobicContact CE1-CD 3.55Å; F139-K141 VanDerWaalsContact CE1-NZ 3.32Å; F139-K141 PolarHBondContact O-N 2.76Å; K141-W143 VanDerWaalsContact C-N 3.27Å; K141-W143 HydrophobicContact CB-CD2 3.67Å; K141-W143 VanDerWaalsContact CB-CE2 3.49Å; K141-W143 HydrophobicContact CB-CE3 3.81Å; K141-W143 HydrophobicContact CB-CG 4.44Å; K141-W143 HydrophobicContact CB-CH2 3.74Å; K141-W143 HydrophobicContact CB-CZ2 3.54Å; K141-W143 HydrophobicContact CB-CZ3 3.84Å; K141-W143 HydrophobicContact CD-CE3 4.49Å; K141-W143 HydrophobicContact CD-CH2 3.25Å; K141-W143 HydrophobicContact CD-CZ2 3.74Å; K141-W143 HydrophobicContact CD-CZ3 3.67Å; K141-W143 HydrophobicContact CG-CD2 4.46Å; K141-W143 HydrophobicContact CG-CE3 4.48Å; K141-W143 HydrophobicContact CG-CH2 3.49Å; K141-W143 VanDerWaalsContact CG-CH2 3.49Å; K141-W143 HydrophobicContact CG-CZ2 3.37Å; K141-W143 HydrophobicContact CG-CZ3 4.03Å; K141-W143 PolarHBondContact O-N 3.1Å; K141-L144 HydrophobicContact CB-CB 4.3Å; K141-L144 VanDerWaalsContact O-CB 3.29Å; K141-L144 WeakPolarHBondContact O-CB 3.46Å; K141-L144 PolarHBondContact O-N 3.47Å
142P77.9Confident82.6Confident58 Ų5876.4 Ų76.438%0.37740%0.4SS..Hα-helixtrans-56-37.8-177.4-28.335.4000114.1F140 L144 L145 K146F140-P142 WeakPolarHBondContact O-CD 3.35Å; P142-L144 PolarHBondContact O-N 3.1Å; P142-L145 WeakPolarHBondContact O-CB 3.38Å; P142-L145 PolarHBondContact O-N 2.93Å; P142-L145 VanDerWaalsContact O-N 3.12Å; P142-K146 PolarHBondContact O-N 2.78Å; P142-K146 VanDerWaalsContact O-N 3.16Å
143W81.6Confident83Confident146 Ų14679.9 Ų79.955%0.55342%0.416SS*.Hα-helixtrans-63.3-28.6177.56884.1000113G64 K141 L145 K146 S147G64-W143 PolarHBondContact O-NE1 2.89Å; K141-W143 VanDerWaalsContact C-N 3.27Å; K141-W143 HydrophobicContact CB-CD2 3.67Å; K141-W143 VanDerWaalsContact CB-CE2 3.49Å; K141-W143 HydrophobicContact CB-CE3 3.81Å; K141-W143 HydrophobicContact CB-CG 4.44Å; K141-W143 HydrophobicContact CB-CH2 3.74Å; K141-W143 HydrophobicContact CB-CZ2 3.54Å; K141-W143 HydrophobicContact CB-CZ3 3.84Å; K141-W143 HydrophobicContact CD-CE3 4.49Å; K141-W143 HydrophobicContact CD-CH2 3.25Å; K141-W143 HydrophobicContact CD-CZ2 3.74Å; K141-W143 HydrophobicContact CD-CZ3 3.67Å; K141-W143 HydrophobicContact CG-CD2 4.46Å; K141-W143 HydrophobicContact CG-CE3 4.48Å; K141-W143 HydrophobicContact CG-CH2 3.49Å; K141-W143 VanDerWaalsContact CG-CH2 3.49Å; K141-W143 HydrophobicContact CG-CZ2 3.37Å; K141-W143 HydrophobicContact CG-CZ3 4.03Å; K141-W143 PolarHBondContact O-N 3.1Å; W143-L145 VanDerWaalsContact C-N 3.32Å; W143-K146 PolarHBondContact O-N 2.77Å; W143-S147 WeakPolarHBondContact O-CB 3.47Å; W143-S147 PolarHBondContact O-N 2.83Å
144L85.7Confident83.3Confident17 Ų1779.9 Ų79.99%0.08942%0.415CS..Hα-helixtrans-67.7-37.6177-174.163.1000110.4F140 K141 P142 S147 Q148F140-L144 HydrophobicContact CE1-CB 3.91Å; F140-L144 HydrophobicContact CE1-CD2 4.31Å; F140-L144 HydrophobicContact CE1-CG 4.25Å; F140-L144 HydrophobicContact CE2-CD2 3.87Å; F140-L144 HydrophobicContact CZ-CB 4.02Å; F140-L144 HydrophobicContact CZ-CD2 3.68Å; F140-L144 HydrophobicContact CZ-CG 3.82Å; K141-L144 HydrophobicContact CB-CB 4.3Å; K141-L144 VanDerWaalsContact O-CB 3.29Å; K141-L144 WeakPolarHBondContact O-CB 3.46Å; K141-L144 PolarHBondContact O-N 3.47Å; P142-L144 PolarHBondContact O-N 3.1Å; L144-S147 PolarHBondContact O-N 3.37Å; L144-S147 PolarHBondContact O-OG 3.46Å; L144-Q148 WeakPolarHBondContact O-CG 3.22Å; L144-Q148 PolarHBondContact O-N 3.38Å; L144-Q148 VanDerWaalsContact O-N 3.12Å
145L91.1Very high83.7Confident1 Ų176.3 Ų76.31%0.00539%0.39CS..Hα-helixtrans-66.1-47.4175.4-179.362.3000110.1V26 S27 A128 Q129 L132 F140 P142 W143 S147 Q148 Y149V26-L145 HydrophobicContact CB-CD1 4.18Å; V26-L145 HydrophobicContact CG2-CD1 4.27Å; S27-L145 WeakPolarHBondContact O-CD1 3.36Å; A128-L145 HydrophobicContact CB-CD1 4.07Å; A128-L145 HydrophobicContact CB-CD2 3.79Å; Q129-L145 HydrophobicContact CB-CD2 3.76Å; Q129-L145 VanDerWaalsContact N-CD2 3.34Å; L132-L145 HydrophobicContact CD1-CB 4.44Å; L132-L145 HydrophobicContact CD1-CD1 4.09Å; L132-L145 HydrophobicContact CD1-CD2 4.12Å; L132-L145 HydrophobicContact CD1-CG 4.46Å; F140-L145 HydrophobicContact CE1-CB 3.78Å; P142-L145 WeakPolarHBondContact O-CB 3.38Å; P142-L145 PolarHBondContact O-N 2.93Å; P142-L145 VanDerWaalsContact O-N 3.12Å; W143-L145 VanDerWaalsContact C-N 3.32Å; L145-S147 VanDerWaalsContact C-N 3.3Å; L145-S147 PolarHBondContact O-N 2.75Å; L145-Q148 WeakPolarHBondContact O-CA 3.38Å; L145-Q148 WeakPolarHBondContact O-CB 3.48Å; L145-Q148 PolarHBondContact O-N 3.48Å; L145-Y149 HydrophobicContact CD1-CD2 4.09Å; L145-Y149 HydrophobicContact CD1-CE2 3.74Å; L145-Y149 HydrophobicContact CD2-CE2 4.43Å; L145-Y149 HydrophobicContact CG-CD2 4.09Å; L145-Y149 HydrophobicContact CG-CE2 3.94Å; L145-Y149 WeakPolarHBondContact O-CD2 3.5Å; L145-Y149 PolarHBondContact O-N 3.31Å; L145-Y149 VanDerWaalsContact O-N 3.13Å
146K90.9Very high84.2Confident122 Ų12273.5 Ų73.553%0.5339%0.388SS..Hα-helixtrans-55.8-46.6177.2-170.1-179.1175.8-176.30111.3P142 W143 Q148 Y149 E150P142-K146 PolarHBondContact O-N 2.78Å; P142-K146 VanDerWaalsContact O-N 3.16Å; W143-K146 PolarHBondContact O-N 2.77Å; K146-Q148 PolarHBondContact O-N 3.04Å; K146-Y149 PolarHBondContact O-N 2.95Å; K146-Y149 VanDerWaalsContact O-N 3.08Å; K146-E150 VanDerWaalsContact CE-OE1 3.26Å; K146-E150 WeakPolarHBondContact CE-OE1 3.36Å; K146-E150 WeakPolarHBondContact O-CG 3.36Å; K146-E150 PolarHBondContact O-N 2.93Å
147S90.9Very high84.9Confident31 Ų3172.8 Ų72.822%0.21739%0.386CS..Hα-helixtrans-60.9-30.2176.375.60000113.4W143 L144 L145 E150 I151W143-S147 WeakPolarHBondContact O-CB 3.47Å; W143-S147 PolarHBondContact O-N 2.83Å; L144-S147 PolarHBondContact O-N 3.37Å; L144-S147 PolarHBondContact O-OG 3.46Å; L145-S147 VanDerWaalsContact C-N 3.3Å; L145-S147 PolarHBondContact O-N 2.75Å; S147-E150 PolarHBondContact O-N 2.93Å; S147-I151 WeakPolarHBondContact O-CG1 3.5Å; S147-I151 WeakPolarHBondContact O-CG2 3.46Å; S147-I151 PolarHBondContact O-N 3.18Å; S147-I151 VanDerWaalsContact O-N 3.17Å
148Q94Very high86.1Confident22 Ų2276.4 Ų76.410%0.10339%0.386CS..Hα-helixtrans-70.5-38.4175.2-73.7-18016.200112.1V26 S27 L100 L144 L145 K146 L152V26-Q148 HydrophobicContact CB-CB 4.46Å; V26-Q148 HydrophobicContact CG1-CB 4.12Å; S27-Q148 VanDerWaalsContact OG-CD 3.27Å; S27-Q148 PolarHBondContact OG-NE2 3.24Å; S27-Q148 PolarHBondContact OG-OE1 3.04Å; L100-Q148 HydrophobicContact CD1-CB 3.66Å; L100-Q148 HydrophobicContact CD1-CG 3.74Å; L144-Q148 WeakPolarHBondContact O-CG 3.22Å; L144-Q148 PolarHBondContact O-N 3.38Å; L144-Q148 VanDerWaalsContact O-N 3.12Å; L145-Q148 WeakPolarHBondContact O-CA 3.38Å; L145-Q148 WeakPolarHBondContact O-CB 3.48Å; L145-Q148 PolarHBondContact O-N 3.48Å; K146-Q148 PolarHBondContact O-N 3.04Å; Q148-L152 WeakPolarHBondContact O-CB 3.5Å; Q148-L152 PolarHBondContact O-N 3.36Å
149Y95.4Very high87.6Confident48 Ų4870.3 Ų70.319%0.18836%0.358CS..Hα-helixtrans-69-34.7172.4-81.7-85.8000112.1V26 V123 P124 L125 A128 L145 K146 I151 L152V26-Y149 HydrophobicContact CB-CE2 4.23Å; V26-Y149 HydrophobicContact CG1-CD1 4.47Å; V26-Y149 HydrophobicContact CG1-CD2 4.18Å; V26-Y149 HydrophobicContact CG1-CE1 4.39Å; V26-Y149 HydrophobicContact CG1-CE2 4.08Å; V26-Y149 HydrophobicContact CG1-CG 4.37Å; V26-Y149 HydrophobicContact CG2-CE2 3.8Å; V26-Y149 WeakPolarHBondContact CG2-OH 3.35Å; V123-Y149 PolarHBondContact O-OH 3.08Å; P124-Y149 VanDerWaalsContact C-OH 3.28Å; P124-Y149 PolarHBondContact O-OH 2.83Å; L125-Y149 WeakPolarHBondContact CA-OH 3.45Å; L125-Y149 HydrophobicContact CB-CD2 4.16Å; L125-Y149 HydrophobicContact CB-CE1 4.39Å; L125-Y149 HydrophobicContact CB-CE2 3.82Å; L125-Y149 HydrophobicContact CD1-CD2 3.92Å; L125-Y149 HydrophobicContact CD1-CE2 4.38Å; L125-Y149 HydrophobicContact CD1-CG 4.24Å; L125-Y149 HydrophobicContact CG-CD2 4.01Å; L125-Y149 HydrophobicContact CG-CE2 3.97Å; L125-Y149 PolarHBondContact N-OH 2.86Å; A128-Y149 HydrophobicContact CB-CE2 4.37Å; L145-Y149 HydrophobicContact CD1-CD2 4.09Å; L145-Y149 HydrophobicContact CD1-CE2 3.74Å; L145-Y149 HydrophobicContact CD2-CE2 4.43Å; L145-Y149 HydrophobicContact CG-CD2 4.09Å; L145-Y149 HydrophobicContact CG-CE2 3.94Å; L145-Y149 WeakPolarHBondContact O-CD2 3.5Å; L145-Y149 PolarHBondContact O-N 3.31Å; L145-Y149 VanDerWaalsContact O-N 3.13Å; K146-Y149 PolarHBondContact O-N 2.95Å; K146-Y149 VanDerWaalsContact O-N 3.08Å; Y149-I151 VanDerWaalsContact C-N 3.34Å; Y149-I151 PolarHBondContact O-N 3.17Å; Y149-L152 HydrophobicContact CD1-CD2 4.34Å; Y149-L152 WeakPolarHBondContact O-CB 3.47Å; Y149-L152 PolarHBondContact O-N 2.99Å
150E94.7Very high89.1Confident133 Ų13364.1 Ų64.162%0.62133%0.33SS*.Hα-helixtrans-64.5-36.3177-72.4167.4-179.800112.7K146 S147K146-E150 VanDerWaalsContact CE-OE1 3.26Å; K146-E150 WeakPolarHBondContact CE-OE1 3.36Å; K146-E150 WeakPolarHBondContact O-CG 3.36Å; K146-E150 PolarHBondContact O-N 2.93Å; S147-E150 PolarHBondContact O-N 2.93Å
151I94.7Very high90.3Very high59 Ų5964 Ų6430%0.30333%0.331SS..THydrogen-bonded Turntrans-92-1.3177.771.3165.3000113.9L100 S147 Y149 E153L100-I151 HydrophobicContact CB-CD1 4.3Å; L100-I151 HydrophobicContact CB-CG1 4.23Å; L100-I151 HydrophobicContact CD1-CD1 4.03Å; L100-I151 HydrophobicContact CD1-CG1 4.08Å; S147-I151 WeakPolarHBondContact O-CG1 3.5Å; S147-I151 WeakPolarHBondContact O-CG2 3.46Å; S147-I151 PolarHBondContact O-N 3.18Å; S147-I151 VanDerWaalsContact O-N 3.17Å; Y149-I151 VanDerWaalsContact C-N 3.34Å; Y149-I151 PolarHBondContact O-N 3.17Å; I151-E153 PolarHBondContact O-N 3.23Å
152L97Very high91.1Very high24 Ų2462.1 Ų62.113%0.12632%0.324CS..  trans-72.8110.3-177.4170.965.1000109.4M24 V26 L100 Y120 Q148 Y149 C154M24-L152 HydrophobicContact CE-CD1 3.74Å; V26-L152 HydrophobicContact CG1-CD2 4.49Å; L100-L152 HydrophobicContact CB-CD1 4.44Å; L100-L152 HydrophobicContact CD2-CD1 3.9Å; Y120-L152 HydrophobicContact CE2-CD1 4.46Å; Y120-L152 WeakPolarHBondContact OH-CD2 3.25Å; Q148-L152 WeakPolarHBondContact O-CB 3.5Å; Q148-L152 PolarHBondContact O-N 3.36Å; Y149-L152 HydrophobicContact CD1-CD2 4.34Å; Y149-L152 WeakPolarHBondContact O-CB 3.47Å; Y149-L152 PolarHBondContact O-N 2.99Å; L152-C154 PolarHBondContact O-N 3.44Å
153E97.2Very high92Very high80 Ų8060.7 Ų60.737%0.37432%0.315SS..  trans-88.797.5167.7-65162.9-156.500107.3L100 K101 Q102 R105 I151L100-E153 PolarHBondContact O-N 3.19Å; K101-E153 WeakPolarHBondContact CA-OE2 3.33Å; K101-E153 WeakPolarHBondContact CG-OE1 3.46Å; Q102-E153 VanDerWaalsContact CB-OE2 3.29Å; Q102-E153 WeakPolarHBondContact CB-OE2 3.13Å; Q102-E153 PolarHBondContact N-OE2 2.81Å; R105-E153 PolarHBondContact NH1-O 3.24Å; R105-E153 PolarHBondContact NH2-O 3.04Å; I151-E153 PolarHBondContact O-N 3.23Å
154C95.7Very high92.7Very high89 Ų8957.7 Ų57.760%0.60131%0.313SS*.PPolyproline II helixtrans-51.5126.2178.5-72.40000110.5L152 S156L152-C154 PolarHBondContact O-N 3.44Å; C154-S156 PolarHBondContact O-N 3.17Å
155P94.9Very high93.3Very high15 Ų1557 Ų5710%0.09731%0.309CS..PPolyproline II helixtrans-59.2133.7179.3-23.833.1000111.8M24 Y120 E159 T162M24-P155 HydrophobicContact SD-CG 4.22Å; Y120-P155 HydrophobicContact CD1-CG 4.29Å; Y120-P155 HydrophobicContact CG-CG 4.32Å; P155-E159 WeakPolarHBondContact CA-OE2 3.37Å; P155-T162 HydrophobicContact CB-CG2 3.57Å; P155-T162 HydrophobicContact CG-CG2 4Å
156S91.1Very high93.6Very high57 Ų5760.1 Ų60.140%0.39933%0.326SS..PPolyproline II helixtrans-74.2155.5174.186.30000110.7C154 N158 E159C154-S156 PolarHBondContact O-N 3.17Å; S156-N158 PolarHBondContact O-N 3.41Å; S156-N158 PolarHBondContact OG-N 3.32Å; S156-E159 WeakPolarHBondContact O-CB 3.37Å; S156-E159 PolarHBondContact O-N 3.48Å; S156-E159 PolarHBondContact OG-N 3.42Å
157P83.3Confident93.9Very high122 Ų12254.4 Ų54.479%0.79230%0.301SS*.THydrogen-bonded Turntrans-57-24.6177.8-26.735.3000114.9
158N87.7Confident94.2Very high156 Ų15654.9 Ų54.983%0.83431%0.305SS*.THydrogen-bonded Turntrans-100.77.2-179.9-60.8-28000112.7S156 F160S156-N158 PolarHBondContact O-N 3.41Å; S156-N158 PolarHBondContact OG-N 3.32Å; N158-F160 PolarHBondContact O-N 3.22Å
159E90.4Very high94.3Very high12 Ų1256.8 Ų56.86%0.05631%0.314CS..SBendtrans-85.4104.5-178.2-162.1-166.8145.200110.5R105 P155 S156 T162R105-E159 IonicContact CZ-OE1 3.6Å; R105-E159 IonicContact CZ-OE2 3.29Å; R105-E159 IonicContact NE-OE1 3.51Å; R105-E159 PolarHBondContact NE-OE1 3.28Å; R105-E159 IonicContact NE-OE2 2.82Å; R105-E159 IonicContact NH2-OE1 2.83Å; R105-E159 PolarHBondContact NH2-OE1 3.08Å; R105-E159 IonicContact NH2-OE2 2.64Å; R105-E159 PolarHBondContact NH2-OE2 3.25Å; P155-E159 WeakPolarHBondContact CA-OE2 3.37Å; S156-E159 WeakPolarHBondContact O-CB 3.37Å; S156-E159 PolarHBondContact O-N 3.48Å; S156-E159 PolarHBondContact OG-N 3.42Å; E159-T162 VanDerWaalsContact O-CB 3.28Å; E159-T162 WeakPolarHBondContact O-CB 3.21Å; E159-T162 PolarHBondContact O-N 2.81Å; E159-T162 PolarHBondContact O-OG1 3.18Å
160F91.6Very high94.4Very high37 Ų3758.8 Ų58.816%0.16233%0.333CS..THydrogen-bonded Turntrans52.2-153.2-176.2-47.6-65.1000111.5R105 Q106 V109 E113 I118 N158 T162R105-F160 HydrophobicContact CB-CD2 4.41Å; R105-F160 HydrophobicContact CB-CE2 3.91Å; Q106-F160 HydrophobicContact CB-CZ 3.88Å; Q106-F160 HydrophobicContact CG-CZ 4.18Å; V109-F160 HydrophobicContact CB-CD1 4.49Å; V109-F160 HydrophobicContact CB-CE1 4.42Å; V109-F160 HydrophobicContact CG1-CD1 4.11Å; V109-F160 HydrophobicContact CG1-CE1 4.28Å; V109-F160 HydrophobicContact CG2-CD1 4.24Å; V109-F160 HydrophobicContact CG2-CD2 4.17Å; V109-F160 HydrophobicContact CG2-CE1 4.45Å; V109-F160 HydrophobicContact CG2-CE2 4.4Å; V109-F160 HydrophobicContact CG2-CG 4.1Å; E113-F160 HydrophobicContact CG-CD1 4.04Å; I118-F160 HydrophobicContact CD1-CB 4.36Å; I118-F160 HydrophobicContact CD1-CD2 3.77Å; I118-F160 HydrophobicContact CD1-CG 4.38Å; N158-F160 PolarHBondContact O-N 3.22Å; F160-T162 VanDerWaalsContact C-N 3.34Å; F160-T162 PolarHBondContact O-N 3.38Å
161H92.3Very high94.4Very high50 Ų5056.5 Ų56.523%0.23132%0.324CS..EExtended strand (participates in β ladder)trans-91.666.2167.5-58.8166.1000110.7T116 W117 I118T116-H161 WeakPolarHBondContact O-CB 3.42Å; W117-H161 HydrophobicContact CD2-CB 3.7Å; W117-H161 AromaticContact CE2-ND1 3.81Å; W117-H161 HydrophobicContact CE3-CB 3.46Å; W117-H161 VanDerWaalsContact CE3-CB 3.46Å; W117-H161 HydrophobicContact CG-CB 4.31Å; W117-H161 HydrophobicContact CH2-CB 4Å; W117-H161 HydrophobicContact CZ2-CB 4.23Å; W117-H161 AromaticContact CZ2-ND1 3.82Å; W117-H161 HydrophobicContact CZ3-CB 3.59Å; I118-H161 PolarHBondContact N-O 3.01Å
162T95.6Very high94.5Very high25 Ų2558.4 Ų58.415%0.15334%0.338CS..EExtended strand (participates in β ladder)trans-91.4130.3-179.9-57.50000112.4I118 P155 E159 F160I118-T162 HydrophobicContact CB-CG2 4.27Å; I118-T162 HydrophobicContact CG2-CG2 4.24Å; I118-T162 CarbonylContact O-C 3.52Å; I118-T162 VanDerWaalsContact O-CA 3.3Å; I118-T162 WeakPolarHBondContact O-CA 3.42Å; P155-T162 HydrophobicContact CB-CG2 3.57Å; P155-T162 HydrophobicContact CG-CG2 4Å; E159-T162 VanDerWaalsContact O-CB 3.28Å; E159-T162 WeakPolarHBondContact O-CB 3.21Å; E159-T162 PolarHBondContact O-N 2.81Å; E159-T162 PolarHBondContact O-OG1 3.18Å; F160-T162 VanDerWaalsContact C-N 3.34Å; F160-T162 PolarHBondContact O-N 3.38Å
163V95.7Very high94.6Very high29 Ų2958.7 Ų58.718%0.17634%0.344CS..EExtended strand (participates in β ladder)trans-118.1120.7172.8-177.50000108.1W117 I118 F119 Y120 V165 F181W117-V163 HydrophobicContact CE3-CG2 4.14Å; W117-V163 HydrophobicContact CZ3-CG2 4.22Å; I118-V163 PolarHBondContact O-N 3.46Å; F119-V163 CarbonylContact C-O 3.54Å; F119-V163 WeakPolarHBondContact CA-O 3.24Å; F119-V163 HydrophobicContact CD1-CB 3.95Å; F119-V163 HydrophobicContact CD1-CG1 4.31Å; F119-V163 HydrophobicContact CE1-CB 4.14Å; F119-V163 HydrophobicContact CE1-CG1 4.45Å; F119-V163 HydrophobicContact CE1-CG2 4.3Å; Y120-V163 PolarHBondContact N-O 2.9Å; V163-V165 HydrophobicContact CG1-CG2 4.16Å; V163-F181 HydrophobicContact CG1-CD2 4.46Å; V163-F181 HydrophobicContact CG2-CD1 4.36Å; V163-F181 HydrophobicContact CG2-CD2 4.22Å; V163-F181 HydrophobicContact CG2-CE1 3.86Å; V163-F181 HydrophobicContact CG2-CE2 3.7Å; V163-F181 HydrophobicContact CG2-CZ 3.53Å
164T96.9Very high94.6Very high83 Ų8355 Ų5551%0.50933%0.327SS..EExtended strand (participates in β ladder)trans-82.5128.5171.6-61.70000109Y120 H122Y120-T164 HydrophobicContact CD1-CG2 3.95Å; Y120-T164 HydrophobicContact CE1-CG2 4.48Å; H122-T164 HydrophobicContact CB-CG2 4.05Å
165V97.7Very high94.8Very high1 Ų151.1 Ų51.11%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-120.4126.4-178.5-179.40000108.2F119 Y120 L121 H122 V163 A167 V174 I178F119-V165 HydrophobicContact CB-CG2 4.37Å; F119-V165 HydrophobicContact CD1-CG2 3.96Å; Y120-V165 PolarHBondContact O-N 3.48Å; L121-V165 HydrophobicContact CD2-CB 4.16Å; L121-V165 HydrophobicContact CD2-CG1 4.36Å; H122-V165 PolarHBondContact N-O 3.12Å; V163-V165 HydrophobicContact CG1-CG2 4.16Å; V165-A167 PolarHBondContact O-N 3.08Å; V165-V174 HydrophobicContact CG1-CG1 3.75Å; V165-I178 HydrophobicContact CG1-CG1 4.49Å; V165-I178 HydrophobicContact CG2-CG1 4.15Å
166D97.9Very high94.9Very high67 Ų6754 Ų5436%0.35832%0.315SS..EExtended strand (participates in β ladder)trans-71.998.1173.9177.515.4000109.9S168 Q169D166-S168 PolarHBondContact O-N 3.48Å; D166-S168 WeakPolarHBondContact OD1-CB 3.49Å; D166-S168 PolarHBondContact OD1-N 2.89Å; D166-S168 PolarHBondContact OD1-OG 3.41Å; D166-S168 PolarHBondContact OD2-OG 2.93Å; D166-S168 VanDerWaalsContact OD2-OG 3.04Å; D166-Q169 HydrophobicContact CB-CG 4.41Å; D166-Q169 WeakPolarHBondContact O-CG 3.37Å; D166-Q169 PolarHBondContact O-NE2 3.25Å
167A98Very high95.2Very high2 Ų254.5 Ų54.52%0.01731%0.311CS..THydrogen-bonded Turntrans-87.411.8179.400000113I34 L121 H122 V123 R131 V165 Q169I34-A167 HydrophobicContact CD1-CB 4.47Å; L121-A167 HydrophobicContact CB-CB 3.82Å; L121-A167 HydrophobicContact CD2-CB 4.39Å; H122-A167 PolarHBondContact O-N 3.42Å; V123-A167 HydrophobicContact CG1-CB 3.81Å; V123-A167 WeakPolarHBondContact CG1-O 3.29Å; R131-A167 PolarHBondContact NH1-O 2.84Å; R131-A167 VanDerWaalsContact NH1-O 3.08Å; R131-A167 PolarHBondContact NH2-O 3Å; V165-A167 PolarHBondContact O-N 3.08Å; A167-Q169 VanDerWaalsContact C-N 3.31Å
168S96.9Very high95.8Very high42 Ų4248.8 Ų48.829%0.29427%0.274SS..THydrogen-bonded Turntrans-75.1-24.8167.281.20000112.3M127 D166M127-S168 VanDerWaalsContact SD-CA 3.54Å; D166-S168 PolarHBondContact O-N 3.48Å; D166-S168 WeakPolarHBondContact OD1-CB 3.49Å; D166-S168 PolarHBondContact OD1-N 2.89Å; D166-S168 PolarHBondContact OD1-OG 3.41Å; D166-S168 PolarHBondContact OD2-OG 2.93Å; D166-S168 VanDerWaalsContact OD2-OG 3.04Å
169Q96.4Very high96.2Very high62 Ų6241.4 Ų41.429%0.2923%0.234SC..SBendtrans-61161.7174.3-58.2-179.673.800112.6D166 A167 A173 V174 E177D166-Q169 HydrophobicContact CB-CG 4.41Å; D166-Q169 WeakPolarHBondContact O-CG 3.37Å; D166-Q169 PolarHBondContact O-NE2 3.25Å; A167-Q169 VanDerWaalsContact C-N 3.31Å; Q169-A173 HydrophobicContact CB-CB 4.17Å; Q169-V174 HydrophobicContact CB-CG2 4.01Å; Q169-E177 PolarHBondContact NE2-OE2 2.95Å
170P96.4Very high96.4Very high90 Ų9045.2 Ų45.258%0.58426%0.259SS*.  trans-53.7142.7169.4-25.435000112T172 A173 V174P170-T172 PolarHBondContact O-N 3.48Å; P170-T172 VanDerWaalsContact O-N 3.08Å; P170-A173 WeakPolarHBondContact O-CA 3.48Å; P170-A173 WeakPolarHBondContact O-CB 3.42Å; P170-A173 PolarHBondContact O-N 2.98Å; P170-V174 PolarHBondContact O-N 3.12Å
171I95.9Very high96.5Very high84 Ų8446 Ų4643%0.43126%0.262SS..Hα-helixtrans-52.3-39.3-176.5-66.7156.4000112T33 I34 A173 V174 V175T33-I171 HydrophobicContact CG2-CD1 3.59Å; T33-I171 HydrophobicContact CG2-CG1 4.31Å; T33-I171 HydrophobicContact CG2-CG2 4.36Å; I34-I171 HydrophobicContact CG1-CG2 4.26Å; I171-A173 VanDerWaalsContact C-N 3.33Å; I171-A173 PolarHBondContact O-N 3.12Å; I171-V174 PolarHBondContact O-N 2.95Å; I171-V175 HydrophobicContact CG2-CG2 4.22Å; I171-V175 WeakPolarHBondContact O-CB 3.42Å; I171-V175 VanDerWaalsContact O-CG2 3.24Å; I171-V175 WeakPolarHBondContact O-CG2 3.43Å; I171-V175 PolarHBondContact O-N 3.33Å
172T96.8Very high96.6Very high100 Ų10043.6 Ų43.661%0.61325%0.251SS*.Hα-helixtrans-63.1-37.8178.648.80000112.6P170 N176P170-T172 PolarHBondContact O-N 3.48Å; P170-T172 VanDerWaalsContact O-N 3.08Å; T172-N176 WeakPolarHBondContact O-CB 3.47Å; T172-N176 PolarHBondContact O-N 2.74Å; T172-N176 PolarHBondContact O-ND2 3.4Å
173A98.1Very high96.2Very high30 Ų3046 Ų4625%0.24826%0.26CS..Hα-helixtrans-66.9-47.3176.100000110.8Q169 P170 I171 V175 N176 E177Q169-A173 HydrophobicContact CB-CB 4.17Å; P170-A173 WeakPolarHBondContact O-CA 3.48Å; P170-A173 WeakPolarHBondContact O-CB 3.42Å; P170-A173 PolarHBondContact O-N 2.98Å; I171-A173 VanDerWaalsContact C-N 3.33Å; I171-A173 PolarHBondContact O-N 3.12Å; A173-V175 VanDerWaalsContact C-N 3.34Å; A173-V175 PolarHBondContact O-N 2.61Å; A173-N176 PolarHBondContact O-N 2.9Å; A173-N176 VanDerWaalsContact O-N 3.1Å; A173-E177 WeakPolarHBondContact O-CB 3.41Å; A173-E177 PolarHBondContact O-N 3.13Å
174V98.3Very high95.9Very high1 Ų147.3 Ų47.31%0.00627%0.27CS..Hα-helixtrans-57.8-46.1177-179.70000111.7I34 L121 V165 Q169 P170 I171 N176 E177 I178I34-V174 HydrophobicContact CD1-CB 4.31Å; I34-V174 HydrophobicContact CD1-CG1 3.65Å; I34-V174 HydrophobicContact CG1-CG1 4.12Å; I34-V174 HydrophobicContact CG2-CG1 4.21Å; L121-V174 HydrophobicContact CD2-CG1 4.25Å; V165-V174 HydrophobicContact CG1-CG1 3.75Å; Q169-V174 HydrophobicContact CB-CG2 4.01Å; P170-V174 PolarHBondContact O-N 3.12Å; I171-V174 PolarHBondContact O-N 2.95Å; V174-N176 VanDerWaalsContact C-N 3.34Å; V174-N176 PolarHBondContact O-N 3.28Å; V174-E177 PolarHBondContact O-N 3.2Å; V174-I178 HydrophobicContact CG1-CD1 4.17Å; V174-I178 WeakPolarHBondContact O-CG1 3.26Å; V174-I178 PolarHBondContact O-N 3.33Å; V174-I178 VanDerWaalsContact O-N 3.1Å
175V98.1Very high95.3Very high9 Ų945 Ų456%0.05525%0.254CS..Hα-helixtrans-62.8-41.6177169.90000111I34 A37 L38 K41 I171 A173 C179I34-V175 HydrophobicContact CG2-CG2 4.24Å; A37-V175 HydrophobicContact CB-CG2 3.73Å; L38-V175 HydrophobicContact CD2-CG1 3.94Å; L38-V175 HydrophobicContact CG-CG1 4.35Å; L38-V175 HydrophobicContact CG-CG2 4.38Å; K41-V175 HydrophobicContact CD-CG1 3.76Å; I171-V175 HydrophobicContact CG2-CG2 4.22Å; I171-V175 WeakPolarHBondContact O-CB 3.42Å; I171-V175 VanDerWaalsContact O-CG2 3.24Å; I171-V175 WeakPolarHBondContact O-CG2 3.43Å; I171-V175 PolarHBondContact O-N 3.33Å; A173-V175 VanDerWaalsContact C-N 3.34Å; A173-V175 PolarHBondContact O-N 2.61Å; V175-C179 WeakPolarHBondContact O-CB 3.28Å; V175-C179 PolarHBondContact O-N 3.2Å; V175-C179 PolarHBondContact O-SG 2.9Å
176N97.2Very high93.8Very high74 Ų7448.2 Ų48.240%0.39627%0.271SS..Hα-helixtrans-67.3-38.3178.4-73.1-18000112.7K41 T172 A173 V174 C179 T180K41-N176 PolarHBondContact NZ-OD1 3.08Å; T172-N176 WeakPolarHBondContact O-CB 3.47Å; T172-N176 PolarHBondContact O-N 2.74Å; T172-N176 PolarHBondContact O-ND2 3.4Å; A173-N176 PolarHBondContact O-N 2.9Å; A173-N176 VanDerWaalsContact O-N 3.1Å; V174-N176 VanDerWaalsContact C-N 3.34Å; V174-N176 PolarHBondContact O-N 3.28Å; N176-C179 PolarHBondContact O-N 3.31Å; N176-T180 WeakPolarHBondContact O-CB 3.48Å; N176-T180 PolarHBondContact O-N 3.47Å; N176-T180 PolarHBondContact O-OG1 3.37Å
177E97.7Very high91.9Very high69 Ų6949.7 Ų49.732%0.32228%0.283SS..Hα-helixtrans-60.9-51.6175.9-172.7-178.314400110.5Q169 A173 V174 C179 T180 F181Q169-E177 PolarHBondContact NE2-OE2 2.95Å; A173-E177 WeakPolarHBondContact O-CB 3.41Å; A173-E177 PolarHBondContact O-N 3.13Å; V174-E177 PolarHBondContact O-N 3.2Å; E177-C179 PolarHBondContact O-N 3.2Å; E177-T180 PolarHBondContact O-N 3.16Å; E177-F181 PolarHBondContact O-N 3.02Å
178I97Very high89.6Confident1 Ų154.6 Ų54.61%0.00531%0.312CS..Hα-helixtrans-61.3-43.7177-64.7170.8000111L23 I34 L38 F119 L121 V165 V174 T180 F181 L182L23-I178 HydrophobicContact CD2-CD1 4.22Å; I34-I178 HydrophobicContact CG2-CD1 4.13Å; L38-I178 HydrophobicContact CD1-CB 4.48Å; L38-I178 HydrophobicContact CD1-CD1 3.96Å; L38-I178 HydrophobicContact CD1-CG2 3.99Å; L38-I178 HydrophobicContact CD2-CB 4.23Å; L38-I178 HydrophobicContact CD2-CG2 3.96Å; F119-I178 HydrophobicContact CB-CD1 4.46Å; F119-I178 HydrophobicContact CD1-CD1 4.39Å; F119-I178 HydrophobicContact CD1-CG1 3.91Å; F119-I178 HydrophobicContact CD1-CG2 4.22Å; F119-I178 HydrophobicContact CD2-CG2 4.45Å; F119-I178 HydrophobicContact CE1-CB 4.45Å; F119-I178 HydrophobicContact CE1-CG1 4.24Å; F119-I178 HydrophobicContact CE1-CG2 3.9Å; F119-I178 HydrophobicContact CE2-CG2 4.15Å; F119-I178 HydrophobicContact CG-CD1 4.38Å; F119-I178 HydrophobicContact CG-CG1 4.38Å; F119-I178 HydrophobicContact CG-CG2 4.48Å; F119-I178 HydrophobicContact CZ-CG2 3.87Å; L121-I178 HydrophobicContact CD2-CD1 4.28Å; V165-I178 HydrophobicContact CG1-CG1 4.49Å; V165-I178 HydrophobicContact CG2-CG1 4.15Å; V174-I178 HydrophobicContact CG1-CD1 4.17Å; V174-I178 WeakPolarHBondContact O-CG1 3.26Å; V174-I178 PolarHBondContact O-N 3.33Å; V174-I178 VanDerWaalsContact O-N 3.1Å; I178-T180 VanDerWaalsContact C-N 3.34Å; I178-T180 PolarHBondContact O-N 3.29Å; I178-F181 PolarHBondContact O-N 3.15Å; I178-L182 HydrophobicContact CG2-CD1 4.05Å; I178-L182 HydrophobicContact CG2-CG 4.42Å; I178-L182 VanDerWaalsContact O-CG 3.3Å; I178-L182 WeakPolarHBondContact O-CG 3.43Å; I178-L182 PolarHBondContact O-N 3.35Å
179C95.3Very high87.1Confident1 Ų156.4 Ų56.41%0.00733%0.33CS..Hα-helixtrans-61.8-40.5176.2-75.10000112.6V10 V175 N176 E177 L182 K183V10-C179 HydrophobicContact CG2-CB 3.95Å; V175-C179 WeakPolarHBondContact O-CB 3.28Å; V175-C179 PolarHBondContact O-N 3.2Å; V175-C179 PolarHBondContact O-SG 2.9Å; N176-C179 PolarHBondContact O-N 3.31Å; E177-C179 PolarHBondContact O-N 3.2Å; C179-L182 PolarHBondContact O-N 3.42Å; C179-K183 WeakPolarHBondContact O-CG 3.36Å; C179-K183 PolarHBondContact O-N 3.4Å
180T94.7Very high84Confident93 Ų9356.6 Ų56.657%0.57135%0.349SS*.Hα-helixtrans-64.6-43.8177.7-59.90000110.6N176 E177 I178 K183 S184N176-T180 WeakPolarHBondContact O-CB 3.48Å; N176-T180 PolarHBondContact O-N 3.47Å; N176-T180 PolarHBondContact O-OG1 3.37Å; E177-T180 PolarHBondContact O-N 3.16Å; I178-T180 VanDerWaalsContact C-N 3.34Å; I178-T180 PolarHBondContact O-N 3.29Å; T180-K183 WeakPolarHBondContact O-CB 3.1Å; T180-K183 PolarHBondContact O-N 3.39Å; T180-S184 PolarHBondContact O-N 3.05Å
181F94.4Very high80.9Confident53 Ų5360 Ų6023%0.23236%0.357CS..Hα-helixtrans-58.7-48.9174.1-177.8-88.7000111.9W117 F119 V163 E177 I178 K183 S184 L185W117-F181 HydrophobicContact CD2-CE1 4.01Å; W117-F181 AromaticContact CE3-CE1 3.39Å; W117-F181 HydrophobicContact CE3-CE1 3.39Å; W117-F181 AromaticContact CE3-CZ 3.67Å; W117-F181 HydrophobicContact CE3-CZ 3.67Å; W117-F181 AromaticContact CH2-CE1 3.99Å; W117-F181 HydrophobicContact CH2-CE1 3.99Å; W117-F181 AromaticContact CH2-CZ 3.72Å; W117-F181 HydrophobicContact CH2-CZ 3.72Å; W117-F181 HydrophobicContact CZ2-CE1 4.5Å; W117-F181 AromaticContact CZ3-CE1 3.42Å; W117-F181 HydrophobicContact CZ3-CE1 3.42Å; W117-F181 VanDerWaalsContact CZ3-CE1 3.42Å; W117-F181 HydrophobicContact CZ3-CE2 4.43Å; W117-F181 AromaticContact CZ3-CZ 3.18Å; W117-F181 HydrophobicContact CZ3-CZ 3.18Å; F119-F181 AromaticContact CE1-CD1 3.76Å; F119-F181 HydrophobicContact CE1-CD1 3.76Å; F119-F181 HydrophobicContact CE1-CE1 4.36Å; F119-F181 HydrophobicContact CE1-CG 4.28Å; F119-F181 AromaticContact CZ-CD1 3.85Å; F119-F181 HydrophobicContact CZ-CD1 3.85Å; F119-F181 HydrophobicContact CZ-CE1 4.34Å; V163-F181 HydrophobicContact CG1-CD2 4.46Å; V163-F181 HydrophobicContact CG2-CD1 4.36Å; V163-F181 HydrophobicContact CG2-CD2 4.22Å; V163-F181 HydrophobicContact CG2-CE1 3.86Å; V163-F181 HydrophobicContact CG2-CE2 3.7Å; V163-F181 HydrophobicContact CG2-CZ 3.53Å; E177-F181 PolarHBondContact O-N 3.02Å; I178-F181 PolarHBondContact O-N 3.15Å; F181-K183 PolarHBondContact O-N 2.96Å; F181-K183 VanDerWaalsContact O-N 3.17Å; F181-S184 PolarHBondContact O-N 3.44Å; F181-S184 PolarHBondContact O-OG 3.33Å; F181-L185 HydrophobicContact CE1-CD1 4.1Å; F181-L185 HydrophobicContact CE1-CD2 3.82Å; F181-L185 HydrophobicContact CE1-CG 4.1Å; F181-L185 HydrophobicContact CZ-CD2 3.91Å; F181-L185 PolarHBondContact O-N 3.04Å
182L93Very high77.8Confident0 Ų063.4 Ų63.40%037%0.374CS..Hα-helixtrans-61.6-28.1-180-69.5171.7000113.1V10 I14 L21 L42 F119 I178 C179 L185V10-L182 HydrophobicContact CG1-CB 3.93Å; I14-L182 HydrophobicContact CG2-CB 4.29Å; I14-L182 HydrophobicContact CG2-CD2 4.42Å; L21-L182 HydrophobicContact CD1-CD1 3.8Å; L21-L182 HydrophobicContact CD1-CD2 4.21Å; L21-L182 HydrophobicContact CD2-CD2 3.82Å; L42-L182 HydrophobicContact CD1-CD1 3.99Å; F119-L182 HydrophobicContact CE2-CD2 4.45Å; F119-L182 HydrophobicContact CZ-CD2 4.02Å; F119-L182 HydrophobicContact CZ-CG 4.33Å; I178-L182 HydrophobicContact CG2-CD1 4.05Å; I178-L182 HydrophobicContact CG2-CG 4.42Å; I178-L182 VanDerWaalsContact O-CG 3.3Å; I178-L182 WeakPolarHBondContact O-CG 3.43Å; I178-L182 PolarHBondContact O-N 3.35Å; C179-L182 PolarHBondContact O-N 3.42Å; L182-L185 HydrophobicContact CD2-CD1 4.08Å
183K88.9Confident74.6Confident76 Ų7671.1 Ų71.133%0.3340%0.403SS..Hα-helixtrans-70.2-40.1172.6-73.9-173.2172.4-1660113V8 D9 V10 C179 T180 F181 L185 N186V8-K183 HydrophobicContact CG1-CD 4.13Å; D9-K183 WeakPolarHBondContact O-CE 3.38Å; D9-K183 PolarHBondContact O-NZ 3.36Å; V10-K183 HydrophobicContact CB-CG 4.39Å; V10-K183 HydrophobicContact CG1-CG 3.98Å; V10-K183 HydrophobicContact CG2-CD 4.42Å; V10-K183 HydrophobicContact CG2-CG 4.07Å; C179-K183 WeakPolarHBondContact O-CG 3.36Å; C179-K183 PolarHBondContact O-N 3.4Å; T180-K183 WeakPolarHBondContact O-CB 3.1Å; T180-K183 PolarHBondContact O-N 3.39Å; F181-K183 PolarHBondContact O-N 2.96Å; F181-K183 VanDerWaalsContact O-N 3.17Å; K183-L185 PolarHBondContact O-N 2.9Å; K183-N186 PolarHBondContact O-N 2.65Å
184S89Confident73.5Confident56 Ų5673.2 Ų73.239%0.39241%0.411SS..Hα-helixtrans-65.6-23.1-177.169.30000112.4T180 F181 N186 T187 T188T180-S184 PolarHBondContact O-N 3.05Å; F181-S184 PolarHBondContact O-N 3.44Å; F181-S184 PolarHBondContact O-OG 3.33Å; S184-N186 PolarHBondContact O-N 2.92Å; S184-N186 VanDerWaalsContact O-N 3.08Å; S184-T187 PolarHBondContact O-N 3.24Å; S184-T187 VanDerWaalsContact O-N 3.09Å; S184-T188 PolarHBondContact O-OG1 3.36Å
185L84.4Confident72.2Confident33 Ų3377 Ų7717%0.17343%0.433CS..Hα-helixtrans-60.5-14.1172-57.8-175.6000114.4W117 F181 L182 K183W117-L185 HydrophobicContact CD2-CD1 4.16Å; W117-L185 HydrophobicContact CH2-CD1 4.48Å; W117-L185 HydrophobicContact CH2-CD2 3.48Å; W117-L185 VanDerWaalsContact CH2-CD2 3.48Å; W117-L185 HydrophobicContact CZ2-CD1 3.71Å; W117-L185 HydrophobicContact CZ2-CD2 3.3Å; W117-L185 HydrophobicContact CZ2-CG 4.14Å; W117-L185 HydrophobicContact CZ3-CD2 4.31Å; F181-L185 HydrophobicContact CE1-CD1 4.1Å; F181-L185 HydrophobicContact CE1-CD2 3.82Å; F181-L185 HydrophobicContact CE1-CG 4.1Å; F181-L185 HydrophobicContact CZ-CD2 3.91Å; F181-L185 PolarHBondContact O-N 3.04Å; L182-L185 HydrophobicContact CD2-CD1 4.08Å; K183-L185 PolarHBondContact O-N 2.9Å
186N65.5Low70.7Confident70 Ų7080.8 Ų80.837%0.37445%0.454SS..Hα-helixtrans-91.4-31.8172.8-98.312.8000113.4A13 K17 K183 S184 A189A13-N186 WeakPolarHBondContact CA-ND2 3.42Å; A13-N186 PolarHBondContact O-OD1 3.47Å; K17-N186 PolarHBondContact NZ-OD1 2.83Å; K183-N186 PolarHBondContact O-N 2.65Å; S184-N186 PolarHBondContact O-N 2.92Å; S184-N186 VanDerWaalsContact O-N 3.08Å; N186-A189 PolarHBondContact O-N 3.16Å
187T57.5Low69.2Low98 Ų9881.2 Ų81.260%0.60146%0.457SS*.Hα-helixtrans-68.9-38.2-173.6-50.70000111.4S184 A189 G190S184-T187 PolarHBondContact O-N 3.24Å; S184-T187 VanDerWaalsContact O-N 3.09Å; T187-A189 VanDerWaalsContact C-N 3.29Å; T187-A189 PolarHBondContact O-N 3.19Å; T187-G190 PolarHBondContact O-N 3.35Å
188T49.6Very low67.4Low104 Ų10481.9 Ų81.964%0.63847%0.465SS*.G310 helixtrans-72.2-15.3179.932.40000114.8S184 G190S184-T188 PolarHBondContact O-OG1 3.36Å; T188-G190 VanDerWaalsContact C-N 3.26Å; T188-G190 PolarHBondContact O-N 3.01Å
189A45.1Very low65.4Low80 Ų8087.3 Ų87.366%0.66150%0.496SS*.G310 helixtrans-78.7-10.5175.200000113.1N186 T187N186-A189 PolarHBondContact O-N 3.16Å; T187-A189 VanDerWaalsContact C-N 3.29Å; T187-A189 PolarHBondContact O-N 3.19Å
190G30.8Very low63.3Low66 Ų6693.5 Ų93.568%0.6853%0.531SS*.G310 helixtrans-101.8-1.6-175.900000116.2T187 T188T187-G190 PolarHBondContact O-N 3.35Å; T188-G190 VanDerWaalsContact C-N 3.26Å; T188-G190 PolarHBondContact O-N 3.01Å
191E30.8Very low60.9Low161 Ų16193.5 Ų93.575%0.75253%0.528SS*.  trans-112.938.7-176.9-69.1-175.4173.400113
192I31.1Very low58.1Low156 Ų15696.9 Ų96.980%0.855%0.553SS**  trans-109.784.4165.9-49.9176.8000107.8
193E31.2Very low54.9Low263 Ų263105.7 Ų105.7100%1.22960%0.603SS**  trans-94.80145.4-77.4-17316100108.3

Retrieved 193 of 193 residues in 592 ms (Link to these results)

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