A0A077ZL87_TRITR Loading...

Zinc knuckle protein

AlphaFold DB , UniProt , Accession A0A077ZL87, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 164 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
1M68.9Low89.6Confident125 Ų12562.5 Ų62.562%0.61631%0.31SS*.  0114.30177.3-172.4-167.800106.7V3 W6M1-V3 PolarHBondContact O-N 3.12Å; M1-W6 HydrophobicContact CE-CB 3.46Å; M1-W6 VanDerWaalsContact CE-CB 3.46Å; M1-W6 HydrophobicContact CE-CD2 3.23Å; M1-W6 HydrophobicContact CE-CE3 3.84Å; M1-W6 HydrophobicContact CE-CG 3.04Å; M1-W6 HydrophobicContact CG-CB 4.42Å
2D82Confident90.3Very high91 Ų9165.9 Ų65.949%0.48733%0.33SS..  trans-72.2114.1164.3-174.6-43.4000107.4D4 V5 W6D2-D4 VanDerWaalsContact C-N 3.34Å; D2-D4 PolarHBondContact OD1-N 2.93Å; D2-V5 HydrophobicContact CB-CB 3.95Å; D2-V5 HydrophobicContact CB-CG2 3.94Å; D2-V5 VanDerWaalsContact CG-CG2 3.45Å; D2-V5 PolarHBondContact OD1-N 3.49Å; D2-W6 WeakPolarHBondContact O-CB 3.3Å; D2-W6 PolarHBondContact O-N 3.36Å; D2-W6 VanDerWaalsContact O-N 3.1Å
3V88.7Confident90.8Very high3 Ų370.1 Ų70.12%0.01834%0.341CS..Hα-helixtrans-70.2-34-174.364.40000111.8M1 L7 L56 R57 F60 R61M1-V3 PolarHBondContact O-N 3.12Å; V3-L7 HydrophobicContact CG2-CD1 4.06Å; V3-L7 HydrophobicContact CG2-CG 4.35Å; V3-L7 VanDerWaalsContact O-CB 3.3Å; V3-L7 WeakPolarHBondContact O-CB 3.37Å; V3-L7 WeakPolarHBondContact O-CG 3.46Å; V3-L7 PolarHBondContact O-N 2.92Å; V3-L56 HydrophobicContact CG2-CB 3.72Å; V3-R57 HydrophobicContact CG1-CG 4.43Å; V3-F60 HydrophobicContact CB-CB 3.75Å; V3-F60 HydrophobicContact CG1-CB 4.02Å; V3-F60 HydrophobicContact CG2-CB 4.18Å; V3-F60 HydrophobicContact CG2-CD2 4.42Å; V3-R61 HydrophobicContact CG1-CB 4.06Å
4D87Confident91.3Very high49 Ų4965.1 Ų65.126%0.26232%0.317SS..Hα-helixtrans-76.7-38.6-177.9-75.3-56.3000110.4D2 W6 L7 G8 R57 R61D2-D4 VanDerWaalsContact C-N 3.34Å; D2-D4 PolarHBondContact OD1-N 2.93Å; D4-W6 PolarHBondContact O-N 3.35Å; D4-L7 PolarHBondContact O-N 3.21Å; D4-G8 PolarHBondContact O-N 3.28Å; D4-R57 IonicContact OD1-CZ 3.54Å; D4-R57 IonicContact OD1-NE 2.76Å; D4-R57 PolarHBondContact OD1-NE 3.49Å; D4-R57 IonicContact OD1-NH2 3.32Å; D4-R57 PolarHBondContact OD1-NH2 3.38Å; D4-R61 IonicContact OD2-CZ 2.69Å; D4-R61 IonicContact OD2-NE 3.86Å
5V88.1Confident91.7Very high66 Ų6665.7 Ų65.740%0.433%0.326SS..Hα-helixtrans-61.4-43.9170.9174.30000111.4D2 G8 R9D2-V5 HydrophobicContact CB-CB 3.95Å; D2-V5 HydrophobicContact CB-CG2 3.94Å; D2-V5 VanDerWaalsContact CG-CG2 3.45Å; D2-V5 PolarHBondContact OD1-N 3.49Å; V5-G8 PolarHBondContact O-N 2.83Å; V5-R9 WeakPolarHBondContact O-CG 3.47Å; V5-R9 PolarHBondContact O-N 3.45Å
6W94.2Very high92Very high51 Ų5166.8 Ų66.819%0.19335%0.348CS..Hα-helixtrans-66.6-42178.5-176.592.4000112.4M1 D2 D4 G8 R9 L10 M28 L31 V32 L56M1-W6 HydrophobicContact CE-CB 3.46Å; M1-W6 VanDerWaalsContact CE-CB 3.46Å; M1-W6 HydrophobicContact CE-CD2 3.23Å; M1-W6 HydrophobicContact CE-CE3 3.84Å; M1-W6 HydrophobicContact CE-CG 3.04Å; M1-W6 HydrophobicContact CG-CB 4.42Å; D2-W6 WeakPolarHBondContact O-CB 3.3Å; D2-W6 PolarHBondContact O-N 3.36Å; D2-W6 VanDerWaalsContact O-N 3.1Å; D4-W6 PolarHBondContact O-N 3.35Å; W6-G8 VanDerWaalsContact C-N 3.32Å; W6-G8 PolarHBondContact O-N 2.84Å; W6-R9 PolarHBondContact O-N 2.84Å; W6-L10 HydrophobicContact CH2-CD2 3.78Å; W6-L10 HydrophobicContact CZ3-CD2 3.73Å; W6-L10 WeakPolarHBondContact O-CB 3.45Å; W6-L10 PolarHBondContact O-N 3Å; W6-M28 HydrophobicContact CH2-CG 3.95Å; W6-M28 HydrophobicContact CZ3-CG 4.17Å; W6-L31 HydrophobicContact CZ2-CB 3.88Å; W6-V32 HydrophobicContact CH2-CG1 3.4Å; W6-V32 VanDerWaalsContact CH2-CG1 3.4Å; W6-V32 HydrophobicContact CZ2-CG1 3.56Å; W6-V32 HydrophobicContact CZ3-CG1 4.19Å; W6-L56 HydrophobicContact CZ3-CD1 3.92Å
7L94.8Very high92.3Very high7 Ų767.8 Ų67.84%0.03735%0.354CS..Hα-helixtrans-64.5-36.6175.5-75.9176.5000112.3V3 D4 H11 M28 K53 L56 R57V3-L7 HydrophobicContact CG2-CD1 4.06Å; V3-L7 HydrophobicContact CG2-CG 4.35Å; V3-L7 VanDerWaalsContact O-CB 3.3Å; V3-L7 WeakPolarHBondContact O-CB 3.37Å; V3-L7 WeakPolarHBondContact O-CG 3.46Å; V3-L7 PolarHBondContact O-N 2.92Å; D4-L7 PolarHBondContact O-N 3.21Å; L7-H11 WeakPolarHBondContact O-CB 3.41Å; L7-H11 PolarHBondContact O-N 3.18Å; L7-M28 HydrophobicContact CD2-CE 3.66Å; L7-K53 HydrophobicContact CD1-CB 4.21Å; L7-K53 HydrophobicContact CD1-CD 4.38Å; L7-K53 HydrophobicContact CD1-CG 4Å; L7-K53 HydrophobicContact CD2-CD 4.37Å; L7-K53 HydrophobicContact CD2-CG 3.76Å; L7-K53 HydrophobicContact CG-CG 4.49Å; L7-L56 HydrophobicContact CD2-CD1 4.05Å; L7-R57 HydrophobicContact CD1-CG 4.25Å
8G93.7Very high92.6Very high31 Ų3170.8 Ų70.832%0.3238%0.376SS..Hα-helixtrans-60.8-53.4172.600000111.4D4 V5 W6 L10 H11 D12D4-G8 PolarHBondContact O-N 3.28Å; V5-G8 PolarHBondContact O-N 2.83Å; W6-G8 VanDerWaalsContact C-N 3.32Å; W6-G8 PolarHBondContact O-N 2.84Å; G8-L10 VanDerWaalsContact C-N 3.29Å; G8-L10 PolarHBondContact O-N 3.47Å; G8-H11 WeakPolarHBondContact O-CA 3.29Å; G8-H11 WeakPolarHBondContact O-CB 3.43Å; G8-H11 PolarHBondContact O-N 3.4Å; G8-D12 PolarHBondContact O-N 3.19Å
9R95.8Very high92.9Very high176 Ų17669 Ų6966%0.66437%0.366SS*.Hα-helixtrans-58-40.3177-70.5173.4-178.4177.41.6112.9V5 W6 D12 Y13V5-R9 WeakPolarHBondContact O-CG 3.47Å; V5-R9 PolarHBondContact O-N 3.45Å; W6-R9 PolarHBondContact O-N 2.84Å; R9-D12 PolarHBondContact O-N 3.06Å; R9-Y13 WeakPolarHBondContact O-CB 3.43Å; R9-Y13 PolarHBondContact O-N 3.26Å
10L96.7Very high93.1Very high7 Ų769 Ų694%0.03737%0.37CS..Hα-helixtrans-62.9-44.2174.7175.261.6000111.1W6 G8 Y13 L14 I27 M28 L31 Y49W6-L10 HydrophobicContact CH2-CD2 3.78Å; W6-L10 HydrophobicContact CZ3-CD2 3.73Å; W6-L10 WeakPolarHBondContact O-CB 3.45Å; W6-L10 PolarHBondContact O-N 3Å; G8-L10 VanDerWaalsContact C-N 3.29Å; G8-L10 PolarHBondContact O-N 3.47Å; L10-Y13 PolarHBondContact O-N 2.94Å; L10-L14 HydrophobicContact CD1-CD1 3.83Å; L10-L14 HydrophobicContact CD1-CD2 4.48Å; L10-L14 HydrophobicContact CD1-CG 3.94Å; L10-L14 HydrophobicContact CD2-CD1 4.44Å; L10-L14 HydrophobicContact CG-CD1 3.75Å; L10-L14 HydrophobicContact CG-CG 4.3Å; L10-L14 WeakPolarHBondContact O-CB 3.37Å; L10-L14 WeakPolarHBondContact O-CG 3.38Å; L10-L14 PolarHBondContact O-N 3.37Å; L10-I27 HydrophobicContact CD1-CG2 4.4Å; L10-M28 HydrophobicContact CD2-CB 3.76Å; L10-M28 HydrophobicContact CD2-CE 3.68Å; L10-M28 HydrophobicContact CD2-CG 3.72Å; L10-L31 HydrophobicContact CD1-CD1 3.55Å; L10-Y49 HydrophobicContact CD2-CE2 4.22Å
11H96Very high93.1Very high82 Ų8273.7 Ų73.738%0.3839%0.388SS..Hα-helixtrans-62.8-43.7178.1-178.465000112L7 G8 L14 T15 W24L7-H11 WeakPolarHBondContact O-CB 3.41Å; L7-H11 PolarHBondContact O-N 3.18Å; G8-H11 WeakPolarHBondContact O-CA 3.29Å; G8-H11 WeakPolarHBondContact O-CB 3.43Å; G8-H11 PolarHBondContact O-N 3.4Å; H11-L14 PolarHBondContact O-N 3.05Å; H11-T15 VanDerWaalsContact O-CB 3.31Å; H11-T15 WeakPolarHBondContact O-CB 3.45Å; H11-T15 PolarHBondContact O-N 3.38Å; H11-T15 PolarHBondContact O-OG1 3.29Å; H11-W24 AromaticContact CE1-CH2 3.84Å; H11-W24 AromaticContact ND1-CH2 3.72Å; H11-W24 AromaticContact ND1-CZ3 3.98Å
12D97.7Very high94.3Very high103 Ų10372.2 Ų72.255%0.55140%0.395SS*.Hα-helixtrans-60.6-47.3175.9-65-20.5000110.6G8 R9 L14 T15 A16G8-D12 PolarHBondContact O-N 3.19Å; R9-D12 PolarHBondContact O-N 3.06Å; D12-L14 PolarHBondContact O-N 3.45Å; D12-T15 PolarHBondContact O-N 3.49Å; D12-A16 WeakPolarHBondContact O-CB 3.38Å; D12-A16 PolarHBondContact O-N 2.98Å
13Y97.2Very high94.9Very high120 Ų12075.1 Ų75.147%0.47140%0.399SS..Hα-helixtrans-58.5-49.5176.2173.3-94.7000112.2R9 L10 T15 N17 I27R9-Y13 WeakPolarHBondContact O-CB 3.43Å; R9-Y13 PolarHBondContact O-N 3.26Å; L10-Y13 PolarHBondContact O-N 2.94Å; Y13-T15 VanDerWaalsContact C-N 3.29Å; Y13-T15 PolarHBondContact O-N 2.78Å; Y13-N17 WeakPolarHBondContact CD2-ND2 3.05Å; Y13-N17 WeakPolarHBondContact CE2-ND2 3.32Å; Y13-N17 WeakPolarHBondContact O-CB 3.41Å; Y13-N17 PolarHBondContact O-N 2.8Å; Y13-N17 VanDerWaalsContact O-N 3.13Å; Y13-N17 PolarHBondContact O-ND2 2.86Å; Y13-I27 HydrophobicContact CE1-CG2 4.42Å
14L97.7Very high95.2Very high0 Ų076.3 Ų76.30%040%0.404CS..Hα-helixtrans-62.3-38.5-179.3-70.7168.6000111.6L10 H11 D12 T18 I19 W24 I27 Y49L10-L14 HydrophobicContact CD1-CD1 3.83Å; L10-L14 HydrophobicContact CD1-CD2 4.48Å; L10-L14 HydrophobicContact CD1-CG 3.94Å; L10-L14 HydrophobicContact CD2-CD1 4.44Å; L10-L14 HydrophobicContact CG-CD1 3.75Å; L10-L14 HydrophobicContact CG-CG 4.3Å; L10-L14 WeakPolarHBondContact O-CB 3.37Å; L10-L14 WeakPolarHBondContact O-CG 3.38Å; L10-L14 PolarHBondContact O-N 3.37Å; H11-L14 PolarHBondContact O-N 3.05Å; D12-L14 PolarHBondContact O-N 3.45Å; L14-T18 PolarHBondContact O-N 2.87Å; L14-I19 HydrophobicContact CD2-CB 4.03Å; L14-I19 HydrophobicContact CD2-CG1 4.19Å; L14-I19 HydrophobicContact CD2-CG2 3.91Å; L14-I19 WeakPolarHBondContact O-CB 3.45Å; L14-I19 WeakPolarHBondContact O-CG1 3.34Å; L14-I19 PolarHBondContact O-N 3.05Å; L14-W24 HydrophobicContact CB-CD2 4.44Å; L14-W24 HydrophobicContact CB-CZ2 4.2Å; L14-W24 HydrophobicContact CD1-CB 4.09Å; L14-W24 HydrophobicContact CD1-CD2 3.75Å; L14-W24 HydrophobicContact CD1-CE3 4.16Å; L14-W24 HydrophobicContact CD1-CG 3.73Å; L14-W24 HydrophobicContact CD2-CG 4.21Å; L14-W24 HydrophobicContact CG-CG 4.43Å; L14-I27 HydrophobicContact CD2-CB 4.21Å; L14-I27 HydrophobicContact CD2-CD1 4.03Å; L14-I27 HydrophobicContact CD2-CG2 3.84Å; L14-Y49 HydrophobicContact CD1-CE2 4.06Å
15T96.5Very high95.6Very high75 Ų7575.4 Ų75.446%0.4640%0.399SS..Hα-helixtrans-77.7-47.8-177.3-55.40000111.6H11 D12 Y13 N17 T18H11-T15 VanDerWaalsContact O-CB 3.31Å; H11-T15 WeakPolarHBondContact O-CB 3.45Å; H11-T15 PolarHBondContact O-N 3.38Å; H11-T15 PolarHBondContact O-OG1 3.29Å; D12-T15 PolarHBondContact O-N 3.49Å; Y13-T15 VanDerWaalsContact C-N 3.29Å; Y13-T15 PolarHBondContact O-N 2.78Å; T15-N17 PolarHBondContact O-N 2.89Å; T15-T18 PolarHBondContact O-N 3.16Å
16A97.3Very high95.9Very high82 Ų8275.9 Ų75.968%0.67840%0.404SS*.Hα-helixtrans-60-34.8178.700000112.2D12 T18D12-A16 WeakPolarHBondContact O-CB 3.38Å; D12-A16 PolarHBondContact O-N 2.98Å; A16-T18 VanDerWaalsContact C-N 3.29Å; A16-T18 PolarHBondContact O-N 3.18Å
17N97.6Very high95.9Very high85 Ų8575.2 Ų75.246%0.45540%0.404SS..THydrogen-bonded Turntrans-88.58.8176.5-67.3-82.8000113.5Y13 T15 I19Y13-N17 WeakPolarHBondContact CD2-ND2 3.05Å; Y13-N17 WeakPolarHBondContact CE2-ND2 3.32Å; Y13-N17 WeakPolarHBondContact O-CB 3.41Å; Y13-N17 PolarHBondContact O-N 2.8Å; Y13-N17 VanDerWaalsContact O-N 3.13Å; Y13-N17 PolarHBondContact O-ND2 2.86Å; T15-N17 PolarHBondContact O-N 2.89Å; N17-I19 HydrophobicContact CB-CD1 3.83Å; N17-I19 HydrophobicContact CB-CG1 3.81Å; N17-I19 PolarHBondContact O-N 2.9Å; N17-I19 VanDerWaalsContact O-N 3.12Å
18T97.3Very high95.9Very high122 Ų12274.9 Ų74.975%0.74840%0.402SS*.THydrogen-bonded Turntrans51.637.7178.4-38.60000112.6L14 T15 A16 P20L14-T18 PolarHBondContact O-N 2.87Å; T15-T18 PolarHBondContact O-N 3.16Å; A16-T18 VanDerWaalsContact C-N 3.29Å; A16-T18 PolarHBondContact O-N 3.18Å; T18-P20 WeakPolarHBondContact O-CD 3.4Å
19I97.1Very high95.9Very high36 Ų3674.6 Ų74.619%0.18539%0.392CS..  trans-70.8126.6-174.9-58.6-60.8000109.2L14 N17 K21 R23 W24 I27L14-I19 HydrophobicContact CD2-CB 4.03Å; L14-I19 HydrophobicContact CD2-CG1 4.19Å; L14-I19 HydrophobicContact CD2-CG2 3.91Å; L14-I19 WeakPolarHBondContact O-CB 3.45Å; L14-I19 WeakPolarHBondContact O-CG1 3.34Å; L14-I19 PolarHBondContact O-N 3.05Å; N17-I19 HydrophobicContact CB-CD1 3.83Å; N17-I19 HydrophobicContact CB-CG1 3.81Å; N17-I19 PolarHBondContact O-N 2.9Å; N17-I19 VanDerWaalsContact O-N 3.12Å; I19-K21 PolarHBondContact O-N 3.31Å; I19-R23 HydrophobicContact CG2-CB 3.88Å; I19-W24 PolarHBondContact O-NE1 3.4Å; I19-I27 HydrophobicContact CG2-CD1 3.54Å
20P97Very high95.8Very high69 Ų6970.2 Ų70.245%0.44839%0.389SS..  trans-57.9136.9176.4-24.333.2000111.7T18 A22 R23 W24T18-P20 WeakPolarHBondContact O-CD 3.4Å; P20-A22 PolarHBondContact O-N 2.96Å; P20-R23 WeakPolarHBondContact O-CB 3.39Å; P20-R23 PolarHBondContact O-N 3.4Å; P20-W24 VanDerWaalsContact O-CD1 3.3Å
21K93.7Very high95.7Very high168 Ų16874.2 Ų74.273%0.7341%0.41SS*.G310 helixtrans-52.8-32.3-178.4-70.7-174.4178.5179.90113.6I19 R23 W24I19-K21 PolarHBondContact O-N 3.31Å; K21-R23 PolarHBondContact O-N 3.21Å; K21-R23 VanDerWaalsContact O-N 3.1Å; K21-W24 HydrophobicContact CG-CD2 4.39Å; K21-W24 HydrophobicContact CG-CZ2 4.2Å; K21-W24 WeakPolarHBondContact O-CB 3.19Å; K21-W24 PolarHBondContact O-N 3.46Å; K21-W24 VanDerWaalsContact O-N 3.1Å
22A93.4Very high95.6Very high94 Ų9471.3 Ų71.378%0.77740%0.397SS*.G310 helixtrans-58.1-21.8175.300000113.9P20P20-A22 PolarHBondContact O-N 2.96Å
23R95.4Very high95.3Very high151 Ų15170.9 Ų70.957%0.5740%0.395SS*.G310 helixtrans-98.5-6.5179.8-61.2-175.9-179.5175-0.3113.8I19 P20 K21 V25 P26 I27I19-R23 HydrophobicContact CG2-CB 3.88Å; P20-R23 WeakPolarHBondContact O-CB 3.39Å; P20-R23 PolarHBondContact O-N 3.4Å; K21-R23 PolarHBondContact O-N 3.21Å; K21-R23 VanDerWaalsContact O-N 3.1Å; R23-V25 PolarHBondContact O-N 2.93Å; R23-P26 VanDerWaalsContact O-CD 3.26Å; R23-P26 WeakPolarHBondContact O-CD 3.29Å; R23-P26 VanDerWaalsContact O-CG 3.29Å; R23-P26 WeakPolarHBondContact O-CG 3.26Å; R23-I27 HydrophobicContact CB-CD1 3.91Å; R23-I27 WeakPolarHBondContact O-CB 2.94Å; R23-I27 WeakPolarHBondContact O-CD1 3.42Å; R23-I27 VanDerWaalsContact O-CG1 3.26Å; R23-I27 WeakPolarHBondContact O-CG1 3.22Å; R23-I27 PolarHBondContact O-N 3.1Å; R23-I27 VanDerWaalsContact O-N 3.14Å
24W95.8Very high95.3Very high29 Ų2971.2 Ų71.211%0.1141%0.405CS..Hα-helixtrans-65-39.5-174.1-72.818000112.6H11 L14 I19 P20 K21 M28 Y49H11-W24 AromaticContact CE1-CH2 3.84Å; H11-W24 AromaticContact ND1-CH2 3.72Å; H11-W24 AromaticContact ND1-CZ3 3.98Å; L14-W24 HydrophobicContact CB-CD2 4.44Å; L14-W24 HydrophobicContact CB-CZ2 4.2Å; L14-W24 HydrophobicContact CD1-CB 4.09Å; L14-W24 HydrophobicContact CD1-CD2 3.75Å; L14-W24 HydrophobicContact CD1-CE3 4.16Å; L14-W24 HydrophobicContact CD1-CG 3.73Å; L14-W24 HydrophobicContact CD2-CG 4.21Å; L14-W24 HydrophobicContact CG-CG 4.43Å; I19-W24 PolarHBondContact O-NE1 3.4Å; P20-W24 VanDerWaalsContact O-CD1 3.3Å; K21-W24 HydrophobicContact CG-CD2 4.39Å; K21-W24 HydrophobicContact CG-CZ2 4.2Å; K21-W24 WeakPolarHBondContact O-CB 3.19Å; K21-W24 PolarHBondContact O-N 3.46Å; K21-W24 VanDerWaalsContact O-N 3.1Å; W24-M28 VanDerWaalsContact O-CB 3.28Å; W24-M28 WeakPolarHBondContact O-CB 3.37Å; W24-M28 PolarHBondContact O-N 3.4Å; W24-Y49 HydrophobicContact CB-CD2 3.81Å; W24-Y49 HydrophobicContact CB-CE2 4.23Å; W24-Y49 HydrophobicContact CB-CG 4.37Å; W24-Y49 AromaticContact CE3-CD1 3.64Å; W24-Y49 HydrophobicContact CE3-CD1 3.64Å; W24-Y49 AromaticContact CE3-CD2 3.96Å; W24-Y49 HydrophobicContact CE3-CD2 3.96Å; W24-Y49 AromaticContact CE3-CE1 3.64Å; W24-Y49 HydrophobicContact CE3-CE1 3.64Å; W24-Y49 AromaticContact CE3-CE2 3.93Å; W24-Y49 HydrophobicContact CE3-CE2 3.93Å; W24-Y49 AromaticContact CE3-CG 3.81Å; W24-Y49 HydrophobicContact CE3-CG 3.81Å; W24-Y49 AromaticContact CE3-CZ 3.81Å; W24-Y49 AromaticContact CZ3-CD1 3.97Å; W24-Y49 HydrophobicContact CZ3-CD1 3.97Å; W24-Y49 AromaticContact CZ3-CE1 3.73Å; W24-Y49 HydrophobicContact CZ3-CE1 3.73Å
25V94.3Very high95Very high29 Ų2978 Ų7818%0.17643%0.434CS..Hα-helixtrans-63.1-55178.3168.50000112.5R23 I27 M28 K29 L52R23-V25 PolarHBondContact O-N 2.93Å; V25-I27 VanDerWaalsContact C-N 3.3Å; V25-I27 PolarHBondContact O-N 3.11Å; V25-M28 PolarHBondContact O-N 3.45Å; V25-K29 HydrophobicContact CG1-CD 4.38Å; V25-K29 WeakPolarHBondContact O-CG 3.4Å; V25-K29 PolarHBondContact O-N 3.24Å; V25-L52 HydrophobicContact CG1-CD1 3.92Å; V25-L52 HydrophobicContact CG2-CD1 4.49Å
26P93.8Very high94.8Very high76 Ų7674.7 Ų74.749%0.49441%0.414SS..Hα-helixtrans-62.2-36.8178.520.3-30.8000112.5R23 K29 S30R23-P26 VanDerWaalsContact O-CD 3.26Å; R23-P26 WeakPolarHBondContact O-CD 3.29Å; R23-P26 VanDerWaalsContact O-CG 3.29Å; R23-P26 WeakPolarHBondContact O-CG 3.26Å; P26-K29 PolarHBondContact O-N 3.38Å; P26-S30 PolarHBondContact O-N 2.98Å; P26-S30 PolarHBondContact O-OG 3.38Å
27I95.6Very high94.6Very high37 Ų3775.8 Ų75.819%0.1940%0.401CS..Hα-helixtrans-67.2-44.7177.3-68.6166000111.7L10 Y13 L14 I19 R23 V25 K29 S30 L31L10-I27 HydrophobicContact CD1-CG2 4.4Å; Y13-I27 HydrophobicContact CE1-CG2 4.42Å; L14-I27 HydrophobicContact CD2-CB 4.21Å; L14-I27 HydrophobicContact CD2-CD1 4.03Å; L14-I27 HydrophobicContact CD2-CG2 3.84Å; I19-I27 HydrophobicContact CG2-CD1 3.54Å; R23-I27 HydrophobicContact CB-CD1 3.91Å; R23-I27 WeakPolarHBondContact O-CB 2.94Å; R23-I27 WeakPolarHBondContact O-CD1 3.42Å; R23-I27 VanDerWaalsContact O-CG1 3.26Å; R23-I27 WeakPolarHBondContact O-CG1 3.22Å; R23-I27 PolarHBondContact O-N 3.1Å; R23-I27 VanDerWaalsContact O-N 3.14Å; V25-I27 VanDerWaalsContact C-N 3.3Å; V25-I27 PolarHBondContact O-N 3.11Å; I27-K29 VanDerWaalsContact C-N 3.28Å; I27-K29 PolarHBondContact O-N 3.39Å; I27-S30 WeakPolarHBondContact CA-OG 3.01Å; I27-S30 PolarHBondContact O-N 3.16Å; I27-S30 PolarHBondContact O-OG 3.41Å; I27-L31 HydrophobicContact CG2-CD1 3.78Å; I27-L31 HydrophobicContact CG2-CG 4.47Å; I27-L31 WeakPolarHBondContact O-CG 3.4Å; I27-L31 PolarHBondContact O-N 3.32Å
28M94.8Very high94.4Very high0 Ų078.8 Ų78.80%041%0.41CS..Hα-helixtrans-55.8-47.4174.4176.9-174.6-85.700110.8W6 L7 L10 W24 V25 S30 L31 Y49 L52 K53 L56W6-M28 HydrophobicContact CH2-CG 3.95Å; W6-M28 HydrophobicContact CZ3-CG 4.17Å; L7-M28 HydrophobicContact CD2-CE 3.66Å; L10-M28 HydrophobicContact CD2-CB 3.76Å; L10-M28 HydrophobicContact CD2-CE 3.68Å; L10-M28 HydrophobicContact CD2-CG 3.72Å; W24-M28 VanDerWaalsContact O-CB 3.28Å; W24-M28 WeakPolarHBondContact O-CB 3.37Å; W24-M28 PolarHBondContact O-N 3.4Å; V25-M28 PolarHBondContact O-N 3.45Å; M28-S30 VanDerWaalsContact C-N 3.33Å; M28-S30 PolarHBondContact O-N 2.89Å; M28-L31 PolarHBondContact O-N 3.08Å; M28-Y49 HydrophobicContact CE-CD2 3.54Å; M28-Y49 HydrophobicContact CE-CE2 3.15Å; M28-Y49 HydrophobicContact CE-CG 4.48Å; M28-Y49 HydrophobicContact SD-CD2 4.43Å; M28-Y49 HydrophobicContact SD-CE2 4.46Å; M28-L52 HydrophobicContact CE-CB 4.49Å; M28-L52 HydrophobicContact SD-CB 3.4Å; M28-L52 WeakPolarHBondContact SD-CB 3.45Å; M28-L52 HydrophobicContact SD-CD1 3.71Å; M28-L52 HydrophobicContact SD-CG 4.21Å; M28-K53 HydrophobicContact CE-CG 3.87Å; M28-L56 HydrophobicContact SD-CD1 4.16Å
29K93.4Very high94.1Very high25 Ų2573.8 Ų73.811%0.10938%0.38CS..Hα-helixtrans-61.1-41.7178.6-72.3-179.2170.6-168.40110.9V25 P26 I27 L31 V32 Y37 L40 N41 L52V25-K29 HydrophobicContact CG1-CD 4.38Å; V25-K29 WeakPolarHBondContact O-CG 3.4Å; V25-K29 PolarHBondContact O-N 3.24Å; P26-K29 PolarHBondContact O-N 3.38Å; I27-K29 VanDerWaalsContact C-N 3.28Å; I27-K29 PolarHBondContact O-N 3.39Å; K29-L31 PolarHBondContact O-N 3.05Å; K29-V32 VanDerWaalsContact O-CG2 3.22Å; K29-V32 WeakPolarHBondContact O-CG2 3.43Å; K29-Y37 HydrophobicContact CB-CD2 3.9Å; K29-Y37 HydrophobicContact CB-CE2 3.83Å; K29-Y37 WeakPolarHBondContact O-CD2 3.35Å; K29-L40 HydrophobicContact CG-CB 4.16Å; K29-L40 HydrophobicContact CG-CD1 4.12Å; K29-N41 WeakPolarHBondContact CD-OD1 3.45Å; K29-N41 WeakPolarHBondContact CE-OD1 3.34Å; K29-N41 PolarHBondContact NZ-OD1 3.04Å; K29-L52 HydrophobicContact CG-CD1 4.08Å
30S94.5Very high93.8Very high85 Ų8572.1 Ų72.159%0.59437%0.372SS*.Hα-helixtrans-69.9-14.7-17963.30000115.2P26 I27 M28P26-S30 PolarHBondContact O-N 2.98Å; P26-S30 PolarHBondContact O-OG 3.38Å; I27-S30 WeakPolarHBondContact CA-OG 3.01Å; I27-S30 PolarHBondContact O-N 3.16Å; I27-S30 PolarHBondContact O-OG 3.41Å; M28-S30 VanDerWaalsContact C-N 3.33Å; M28-S30 PolarHBondContact O-N 2.89Å
31L94.8Very high93.5Very high91 Ų9172 Ų7248%0.47637%0.367SS..THydrogen-bonded Turntrans-100.5-5.5-174.8-69.3171.7000114.2W6 L10 I27 M28 K29W6-L31 HydrophobicContact CZ2-CB 3.88Å; L10-L31 HydrophobicContact CD1-CD1 3.55Å; I27-L31 HydrophobicContact CG2-CD1 3.78Å; I27-L31 HydrophobicContact CG2-CG 4.47Å; I27-L31 WeakPolarHBondContact O-CG 3.4Å; I27-L31 PolarHBondContact O-N 3.32Å; M28-L31 PolarHBondContact O-N 3.08Å; K29-L31 PolarHBondContact O-N 3.05Å
32V92.5Very high93.2Very high20 Ų2068.5 Ų68.512%0.12136%0.364CS..SBendtrans-93.5161.9175.6-63.60000111.1W6 K29 I36 L40W6-V32 HydrophobicContact CH2-CG1 3.4Å; W6-V32 VanDerWaalsContact CH2-CG1 3.4Å; W6-V32 HydrophobicContact CZ2-CG1 3.56Å; W6-V32 HydrophobicContact CZ3-CG1 4.19Å; K29-V32 VanDerWaalsContact O-CG2 3.22Å; K29-V32 WeakPolarHBondContact O-CG2 3.43Å; V32-I36 HydrophobicContact CB-CB 3.91Å; V32-I36 HydrophobicContact CB-CG2 3.84Å; V32-I36 HydrophobicContact CG1-CG2 3.96Å; V32-I36 HydrophobicContact CG2-CB 4Å; V32-I36 HydrophobicContact CG2-CG2 3.9Å; V32-L40 HydrophobicContact CG1-CD1 4.45Å; V32-L40 HydrophobicContact CG2-CD1 3.96Å
33D92.6Very high92.9Very high94 Ų9467 Ų6750%0.50334%0.342SS..  trans-65.5165.4173.57144.6000112.7K35 I36 Y37D33-K35 PolarHBondContact O-N 3.28Å; D33-K35 WeakPolarHBondContact OD1-CA 3.12Å; D33-K35 VanDerWaalsContact OD1-CB 3.29Å; D33-K35 WeakPolarHBondContact OD1-CB 3.18Å; D33-K35 PolarHBondContact OD1-N 3.45Å; D33-I36 PolarHBondContact O-N 3.14Å; D33-I36 VanDerWaalsContact O-N 3.08Å; D33-I36 WeakPolarHBondContact OD1-CG1 3.44Å; D33-I36 PolarHBondContact OD1-N 3.44Å; D33-Y37 WeakPolarHBondContact O-CB 3.28Å; D33-Y37 PolarHBondContact O-N 2.96Å
34D95.8Very high92.1Very high127 Ų12761.5 Ų61.568%0.67933%0.333SS*.Hα-helixtrans-53.9-38.2-178.2-71.64.1000113.9I36 K38D34-I36 VanDerWaalsContact C-N 3.32Å; D34-K38 WeakPolarHBondContact O-CB 3.32Å; D34-K38 VanDerWaalsContact O-CG 3.3Å; D34-K38 WeakPolarHBondContact O-CG 3.41Å; D34-K38 PolarHBondContact O-N 2.84Å
35K92.9Very high90.8Very high143 Ų14369.6 Ų69.662%0.62237%0.372SS*.Hα-helixtrans-66.9-40.4-177.7-176.6-179.3-1781770109.8D33 S39D33-K35 PolarHBondContact O-N 3.28Å; D33-K35 WeakPolarHBondContact OD1-CA 3.12Å; D33-K35 VanDerWaalsContact OD1-CB 3.29Å; D33-K35 WeakPolarHBondContact OD1-CB 3.18Å; D33-K35 PolarHBondContact OD1-N 3.45Å; K35-S39 PolarHBondContact O-N 3.39Å
36I91.9Very high89.9Confident5 Ų577.5 Ų77.53%0.02641%0.407CS..Hα-helixtrans-80-37.8179.5-56.4-46.3000111.2V32 D33 D34 K38 S39 L40 L56 F60V32-I36 HydrophobicContact CB-CB 3.91Å; V32-I36 HydrophobicContact CB-CG2 3.84Å; V32-I36 HydrophobicContact CG1-CG2 3.96Å; V32-I36 HydrophobicContact CG2-CB 4Å; V32-I36 HydrophobicContact CG2-CG2 3.9Å; D33-I36 PolarHBondContact O-N 3.14Å; D33-I36 VanDerWaalsContact O-N 3.08Å; D33-I36 WeakPolarHBondContact OD1-CG1 3.44Å; D33-I36 PolarHBondContact OD1-N 3.44Å; D34-I36 VanDerWaalsContact C-N 3.32Å; I36-K38 VanDerWaalsContact C-N 3.34Å; I36-K38 PolarHBondContact O-N 3.33Å; I36-S39 CarbonylContact O-C 3.6Å; I36-S39 WeakPolarHBondContact O-CA 3.45Å; I36-S39 WeakPolarHBondContact O-CB 3.36Å; I36-S39 PolarHBondContact O-N 3.3Å; I36-L40 HydrophobicContact CG2-CD1 4.15Å; I36-L40 HydrophobicContact CG2-CG 4.17Å; I36-L40 WeakPolarHBondContact O-CG 3.26Å; I36-L40 PolarHBondContact O-N 2.8Å; I36-L56 HydrophobicContact CG2-CD2 3.48Å; I36-L56 VanDerWaalsContact CG2-CD2 3.48Å; I36-F60 HydrophobicContact CD1-CE1 4.37Å; I36-F60 HydrophobicContact CD1-CE2 3.69Å; I36-F60 HydrophobicContact CD1-CZ 3.27Å; I36-F60 HydrophobicContact CG1-CE2 3.98Å; I36-F60 HydrophobicContact CG1-CZ 3.66Å; I36-F60 HydrophobicContact CG2-CE2 4.42Å
37Y93.2Very high89.5Confident105 Ų10574.6 Ų74.641%0.41239%0.389SS..Hα-helixtrans-54.1-49.8172.8-178.5-106.1000111.8K29 D33 S39 L40 N41K29-Y37 HydrophobicContact CB-CD2 3.9Å; K29-Y37 HydrophobicContact CB-CE2 3.83Å; K29-Y37 WeakPolarHBondContact O-CD2 3.35Å; D33-Y37 WeakPolarHBondContact O-CB 3.28Å; D33-Y37 PolarHBondContact O-N 2.96Å; Y37-S39 VanDerWaalsContact C-N 3.31Å; Y37-S39 PolarHBondContact O-N 2.76Å; Y37-L40 PolarHBondContact O-N 2.86Å; Y37-N41 WeakPolarHBondContact CE1-ND2 3.49Å; Y37-N41 PolarHBondContact O-N 3.36Å; Y37-N41 PolarHBondContact OH-ND2 2.9Å
38K92.9Very high89.3Confident149 Ų14976.5 Ų76.565%0.64840%0.402SS*.Hα-helixtrans-58.9-42.7174.9-72.3174.4-175.8176.70111.8D34 I36 L40 N41 S42D34-K38 WeakPolarHBondContact O-CB 3.32Å; D34-K38 VanDerWaalsContact O-CG 3.3Å; D34-K38 WeakPolarHBondContact O-CG 3.41Å; D34-K38 PolarHBondContact O-N 2.84Å; I36-K38 VanDerWaalsContact C-N 3.34Å; I36-K38 PolarHBondContact O-N 3.33Å; K38-L40 VanDerWaalsContact C-N 3.35Å; K38-L40 PolarHBondContact O-N 2.69Å; K38-N41 PolarHBondContact O-N 3.45Å; K38-S42 PolarHBondContact O-N 3.1Å; K38-S42 VanDerWaalsContact O-N 3.12Å
39S90.5Very high89.2Confident17 Ų1777.5 Ų77.512%0.11941%0.406CS..Hα-helixtrans-66.6-31.4177.9-174.20000114K35 I36 Y37 S42 H55 R59K35-S39 PolarHBondContact O-N 3.39Å; I36-S39 CarbonylContact O-C 3.6Å; I36-S39 WeakPolarHBondContact O-CA 3.45Å; I36-S39 WeakPolarHBondContact O-CB 3.36Å; I36-S39 PolarHBondContact O-N 3.3Å; Y37-S39 VanDerWaalsContact C-N 3.31Å; Y37-S39 PolarHBondContact O-N 2.76Å; S39-S42 PolarHBondContact O-OG 3.43Å; S39-H55 PolarHBondContact OG-NE2 2.78Å; S39-R59 VanDerWaalsContact CB-NH1 3.3Å; S39-R59 PolarHBondContact OG-NH1 3Å
40L91.1Very high89.1Confident0 Ų081.2 Ų81.20%042%0.424CS..Hα-helixtrans-79.8-31.1176.7-63.9176.1000111.3K29 V32 I36 Y37 K38 L43 L52 L56K29-L40 HydrophobicContact CG-CB 4.16Å; K29-L40 HydrophobicContact CG-CD1 4.12Å; V32-L40 HydrophobicContact CG1-CD1 4.45Å; V32-L40 HydrophobicContact CG2-CD1 3.96Å; I36-L40 HydrophobicContact CG2-CD1 4.15Å; I36-L40 HydrophobicContact CG2-CG 4.17Å; I36-L40 WeakPolarHBondContact O-CG 3.26Å; I36-L40 PolarHBondContact O-N 2.8Å; Y37-L40 PolarHBondContact O-N 2.86Å; K38-L40 VanDerWaalsContact C-N 3.35Å; K38-L40 PolarHBondContact O-N 2.69Å; L40-L43 HydrophobicContact CD2-CD1 4.33Å; L40-L43 PolarHBondContact O-N 2.86Å; L40-L52 HydrophobicContact CB-CD2 4.33Å; L40-L52 HydrophobicContact CD2-CB 4.34Å; L40-L52 HydrophobicContact CD2-CD2 3.92Å; L40-L56 HydrophobicContact CD2-CD2 4.12Å; L40-L56 HydrophobicContact CD2-CG 4.19Å
41N90Very high88.9Confident67 Ų6780.2 Ų80.236%0.35841%0.414SS..Hα-helixtrans-73.5-25.8175.9-79.3-20000113.5K29 Y37 K38 L43K29-N41 WeakPolarHBondContact CD-OD1 3.45Å; K29-N41 WeakPolarHBondContact CE-OD1 3.34Å; K29-N41 PolarHBondContact NZ-OD1 3.04Å; Y37-N41 WeakPolarHBondContact CE1-ND2 3.49Å; Y37-N41 PolarHBondContact O-N 3.36Å; Y37-N41 PolarHBondContact OH-ND2 2.9Å; K38-N41 PolarHBondContact O-N 3.45Å; N41-L43 PolarHBondContact O-N 3.25Å
42S89.1Confident88.9Confident94 Ų9475.9 Ų75.966%0.65739%0.392SS*.THydrogen-bonded Turntrans-71.3-9.2174.366.60000114.1K38 S39 G44K38-S42 PolarHBondContact O-N 3.1Å; K38-S42 VanDerWaalsContact O-N 3.12Å; S39-S42 PolarHBondContact O-OG 3.43Å; S42-G44 VanDerWaalsContact C-N 3.28Å; S42-G44 PolarHBondContact O-N 3.1Å
43L85.8Confident88.9Confident62 Ų6276.5 Ų76.533%0.32539%0.392SS..THydrogen-bonded Turntrans-79.9-7179.4-62.4172.5000113.7L40 N41 C47 L52 H55L40-L43 HydrophobicContact CD2-CD1 4.33Å; L40-L43 PolarHBondContact O-N 2.86Å; N41-L43 PolarHBondContact O-N 3.25Å; L43-C47 WeakPolarHBondContact CB-SG 3.44Å; L43-C47 PolarHBondContact O-SG 2.86Å; L43-C47 VanDerWaalsContact O-SG 3.36Å; L43-L52 HydrophobicContact CD1-CD2 3.7Å; L43-H55 HydrophobicContact CD1-CB 3.81Å
44G78.3Confident88.8Confident37 Ų3775.2 Ų75.238%0.38139%0.391SS..  trans101.1170.3-177.800000113.8S42S42-G44 VanDerWaalsContact C-N 3.28Å; S42-G44 PolarHBondContact O-N 3.1Å
45Q70Confident88.5Confident198 Ų19870.1 Ų70.193%0.92536%0.363SS*.THydrogen-bonded Turntrans-76.3-33.2-175.8-72.4-178-16.400113C47Q45-C47 VanDerWaalsContact C-N 3.26Å; Q45-C47 PolarHBondContact O-N 3.17Å
46E75Confident88.4Confident195 Ų19563.3 Ų63.391%0.91133%0.334SS*.THydrogen-bonded Turntrans-89.133-175.7-59.2-159.5153.200114.2
47C84.7Confident88.3Confident16 Ų1667.2 Ų67.211%0.10835%0.348CS..  trans-76.9130.5176.3-76.40000111.8L43 Q45 L52L43-C47 WeakPolarHBondContact CB-SG 3.44Å; L43-C47 PolarHBondContact O-SG 2.86Å; L43-C47 VanDerWaalsContact O-SG 3.36Å; Q45-C47 VanDerWaalsContact C-N 3.26Å; Q45-C47 PolarHBondContact O-N 3.17Å; C47-L52 HydrophobicContact CB-CD2 3.79Å; C47-L52 HydrophobicContact CB-CG 4.31Å
48T91.3Very high88Confident76 Ų7671 Ų7147%0.46636%0.362SS..  trans-81.6162.4170.875.10000111.2E50 T51 L52T48-E50 PolarHBondContact O-N 3.24Å; T48-E50 PolarHBondContact OG1-N 3.05Å; T48-T51 WeakPolarHBondContact O-CB 3.3Å; T48-T51 PolarHBondContact O-N 2.79Å; T48-T51 VanDerWaalsContact O-N 3.16Å; T48-T51 PolarHBondContact OG1-N 2.88Å; T48-T51 VanDerWaalsContact OG1-N 3.11Å; T48-T51 PolarHBondContact OG1-OG1 2.99Å; T48-L52 PolarHBondContact O-N 2.96Å; T48-L52 VanDerWaalsContact O-N 3.1Å
49Y92.5Very high87.6Confident22 Ų2269.1 Ų69.19%0.08635%0.35CS..Hα-helixtrans-55.6-39.2172.1-177.7-107.4000112.3L10 L14 W24 M28 L52 K53L10-Y49 HydrophobicContact CD2-CE2 4.22Å; L14-Y49 HydrophobicContact CD1-CE2 4.06Å; W24-Y49 HydrophobicContact CB-CD2 3.81Å; W24-Y49 HydrophobicContact CB-CE2 4.23Å; W24-Y49 HydrophobicContact CB-CG 4.37Å; W24-Y49 AromaticContact CE3-CD1 3.64Å; W24-Y49 HydrophobicContact CE3-CD1 3.64Å; W24-Y49 AromaticContact CE3-CD2 3.96Å; W24-Y49 HydrophobicContact CE3-CD2 3.96Å; W24-Y49 AromaticContact CE3-CE1 3.64Å; W24-Y49 HydrophobicContact CE3-CE1 3.64Å; W24-Y49 AromaticContact CE3-CE2 3.93Å; W24-Y49 HydrophobicContact CE3-CE2 3.93Å; W24-Y49 AromaticContact CE3-CG 3.81Å; W24-Y49 HydrophobicContact CE3-CG 3.81Å; W24-Y49 AromaticContact CE3-CZ 3.81Å; W24-Y49 AromaticContact CZ3-CD1 3.97Å; W24-Y49 HydrophobicContact CZ3-CD1 3.97Å; W24-Y49 AromaticContact CZ3-CE1 3.73Å; W24-Y49 HydrophobicContact CZ3-CE1 3.73Å; M28-Y49 HydrophobicContact CE-CD2 3.54Å; M28-Y49 HydrophobicContact CE-CE2 3.15Å; M28-Y49 HydrophobicContact CE-CG 4.48Å; M28-Y49 HydrophobicContact SD-CD2 4.43Å; M28-Y49 HydrophobicContact SD-CE2 4.46Å; Y49-L52 PolarHBondContact O-N 2.95Å; Y49-K53 HydrophobicContact CD1-CD 4.09Å; Y49-K53 HydrophobicContact CD1-CG 4.41Å; Y49-K53 HydrophobicContact CE1-CD 3.55Å; Y49-K53 HydrophobicContact CE1-CG 4.12Å; Y49-K53 WeakPolarHBondContact O-CG 3.44Å; Y49-K53 PolarHBondContact O-N 3.35Å
50E91.8Very high87.3Confident103 Ų10371.5 Ų71.548%0.48136%0.359SS..Hα-helixtrans-66.8-38.7177.4-63-54136.200112.4T48 K53 S54T48-E50 PolarHBondContact O-N 3.24Å; T48-E50 PolarHBondContact OG1-N 3.05Å; E50-K53 PolarHBondContact O-N 3.1Å; E50-K53 WeakPolarHBondContact OE1-CE 3.39Å; E50-K53 IonicContact OE1-NZ 2.8Å; E50-K53 PolarHBondContact OE1-NZ 3.38Å; E50-K53 WeakPolarHBondContact OE2-CE 3.47Å; E50-K53 IonicContact OE2-NZ 2.72Å; E50-K53 PolarHBondContact OE2-NZ 2.84Å; E50-S54 WeakPolarHBondContact O-CB 3.48Å; E50-S54 PolarHBondContact O-N 2.93Å; E50-S54 PolarHBondContact O-OG 3.49Å
51T91.2Very high86.7Confident64 Ų6478.1 Ų78.139%0.39338%0.384SS..Hα-helixtrans-62.3-43.5175.4-500000111T48 S54 H55T48-T51 WeakPolarHBondContact O-CB 3.3Å; T48-T51 PolarHBondContact O-N 2.79Å; T48-T51 VanDerWaalsContact O-N 3.16Å; T48-T51 PolarHBondContact OG1-N 2.88Å; T48-T51 VanDerWaalsContact OG1-N 3.11Å; T48-T51 PolarHBondContact OG1-OG1 2.99Å; T51-S54 PolarHBondContact O-N 3.39Å; T51-H55 PolarHBondContact O-N 3.48Å
52L93Very high85.8Confident0 Ų082.9 Ų82.90%040%0.401CS..Hα-helixtrans-68.5-42.8178.1-61.9-168.2000112.3V25 M28 K29 L40 L43 C47 T48 Y49 S54 H55 L56V25-L52 HydrophobicContact CG1-CD1 3.92Å; V25-L52 HydrophobicContact CG2-CD1 4.49Å; M28-L52 HydrophobicContact CE-CB 4.49Å; M28-L52 HydrophobicContact SD-CB 3.4Å; M28-L52 WeakPolarHBondContact SD-CB 3.45Å; M28-L52 HydrophobicContact SD-CD1 3.71Å; M28-L52 HydrophobicContact SD-CG 4.21Å; K29-L52 HydrophobicContact CG-CD1 4.08Å; L40-L52 HydrophobicContact CB-CD2 4.33Å; L40-L52 HydrophobicContact CD2-CB 4.34Å; L40-L52 HydrophobicContact CD2-CD2 3.92Å; L43-L52 HydrophobicContact CD1-CD2 3.7Å; C47-L52 HydrophobicContact CB-CD2 3.79Å; C47-L52 HydrophobicContact CB-CG 4.31Å; T48-L52 PolarHBondContact O-N 2.96Å; T48-L52 VanDerWaalsContact O-N 3.1Å; Y49-L52 PolarHBondContact O-N 2.95Å; L52-S54 VanDerWaalsContact C-N 3.29Å; L52-S54 PolarHBondContact O-N 2.93Å; L52-H55 PolarHBondContact O-N 2.85Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 3Å
53K93.4Very high84.7Confident32 Ų3286.2 Ų86.214%0.13941%0.411CS..Hα-helixtrans-55.5-46.7172.3-77.5-166.1-67.6173.60111.5L7 M28 Y49 E50 H55 L56 R57L7-K53 HydrophobicContact CD1-CB 4.21Å; L7-K53 HydrophobicContact CD1-CD 4.38Å; L7-K53 HydrophobicContact CD1-CG 4Å; L7-K53 HydrophobicContact CD2-CD 4.37Å; L7-K53 HydrophobicContact CD2-CG 3.76Å; L7-K53 HydrophobicContact CG-CG 4.49Å; M28-K53 HydrophobicContact CE-CG 3.87Å; Y49-K53 HydrophobicContact CD1-CD 4.09Å; Y49-K53 HydrophobicContact CD1-CG 4.41Å; Y49-K53 HydrophobicContact CE1-CD 3.55Å; Y49-K53 HydrophobicContact CE1-CG 4.12Å; Y49-K53 WeakPolarHBondContact O-CG 3.44Å; Y49-K53 PolarHBondContact O-N 3.35Å; E50-K53 PolarHBondContact O-N 3.1Å; E50-K53 WeakPolarHBondContact OE1-CE 3.39Å; E50-K53 IonicContact OE1-NZ 2.8Å; E50-K53 PolarHBondContact OE1-NZ 3.38Å; E50-K53 WeakPolarHBondContact OE2-CE 3.47Å; E50-K53 IonicContact OE2-NZ 2.72Å; E50-K53 PolarHBondContact OE2-NZ 2.84Å; K53-H55 VanDerWaalsContact C-N 3.33Å; K53-H55 PolarHBondContact O-N 2.95Å; K53-L56 PolarHBondContact O-N 3.4Å; K53-R57 WeakPolarHBondContact O-CB 3.4Å; K53-R57 WeakPolarHBondContact O-CG 3.38Å; K53-R57 PolarHBondContact O-N 2.9Å
54S89.9Confident84Confident68 Ų6885.6 Ų85.648%0.47641%0.409SS..Hα-helixtrans-62.6-40.7179.2-58.20000111.6E50 T51 L52 R57 R58E50-S54 WeakPolarHBondContact O-CB 3.48Å; E50-S54 PolarHBondContact O-N 2.93Å; E50-S54 PolarHBondContact O-OG 3.49Å; T51-S54 PolarHBondContact O-N 3.39Å; L52-S54 VanDerWaalsContact C-N 3.29Å; L52-S54 PolarHBondContact O-N 2.93Å; S54-R57 PolarHBondContact O-N 2.94Å; S54-R58 WeakPolarHBondContact O-CB 3.46Å; S54-R58 PolarHBondContact O-N 2.9Å
55H90.2Very high84.2Confident20 Ų2086.6 Ų86.69%0.09341%0.41CS..Hα-helixtrans-63.9-45.4175-178.183.3000112.5S39 L43 T51 L52 K53 R58 R59S39-H55 PolarHBondContact OG-NE2 2.78Å; L43-H55 HydrophobicContact CD1-CB 3.81Å; T51-H55 PolarHBondContact O-N 3.48Å; L52-H55 PolarHBondContact O-N 2.85Å; K53-H55 VanDerWaalsContact C-N 3.33Å; K53-H55 PolarHBondContact O-N 2.95Å; H55-R58 PolarHBondContact ND1-NH2 3.43Å; H55-R58 PolarHBondContact O-N 3.12Å; H55-R59 WeakPolarHBondContact O-CB 3.36Å; H55-R59 PolarHBondContact O-N 3.37Å
56L91.3Very high85Confident0 Ų081.4 Ų81.40%039%0.388CS..Hα-helixtrans-62.7-45.9177-70174.3000110.9V3 W6 L7 M28 I36 L40 L52 K53 R59 F60V3-L56 HydrophobicContact CG2-CB 3.72Å; W6-L56 HydrophobicContact CZ3-CD1 3.92Å; L7-L56 HydrophobicContact CD2-CD1 4.05Å; M28-L56 HydrophobicContact SD-CD1 4.16Å; I36-L56 HydrophobicContact CG2-CD2 3.48Å; I36-L56 VanDerWaalsContact CG2-CD2 3.48Å; L40-L56 HydrophobicContact CD2-CD2 4.12Å; L40-L56 HydrophobicContact CD2-CG 4.19Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 3Å; K53-L56 PolarHBondContact O-N 3.4Å; L56-R59 PolarHBondContact O-N 2.92Å; L56-F60 HydrophobicContact CD2-CD2 4.16Å; L56-F60 HydrophobicContact CD2-CE2 3.9Å; L56-F60 WeakPolarHBondContact O-CB 3.43Å; L56-F60 WeakPolarHBondContact O-CD2 3.17Å; L56-F60 PolarHBondContact O-N 2.84Å
57R89.8Confident85.6Confident86 Ų8679.2 Ų79.233%0.32538%0.375SS..Hα-helixtrans-60.3-49175.7-76.8176171.5150.6-0.3111.8V3 D4 L7 K53 S54 R59 F60 R61V3-R57 HydrophobicContact CG1-CG 4.43Å; D4-R57 IonicContact OD1-CZ 3.54Å; D4-R57 IonicContact OD1-NE 2.76Å; D4-R57 PolarHBondContact OD1-NE 3.49Å; D4-R57 IonicContact OD1-NH2 3.32Å; D4-R57 PolarHBondContact OD1-NH2 3.38Å; L7-R57 HydrophobicContact CD1-CG 4.25Å; K53-R57 WeakPolarHBondContact O-CB 3.4Å; K53-R57 WeakPolarHBondContact O-CG 3.38Å; K53-R57 PolarHBondContact O-N 2.9Å; S54-R57 PolarHBondContact O-N 2.94Å; R57-R59 PolarHBondContact O-N 3.03Å; R57-R59 VanDerWaalsContact O-N 3.16Å; R57-F60 PolarHBondContact O-N 3.17Å; R57-R61 HydrophobicContact CB-CB 4.32Å; R57-R61 WeakPolarHBondContact O-CA 3.39Å; R57-R61 WeakPolarHBondContact O-CB 3.43Å; R57-R61 PolarHBondContact O-N 3.47Å
58R85.6Confident85.8Confident186 Ų18680.9 Ų80.970%0.70239%0.385SS*.Hα-helixtrans-57.2-33.9176.8-173.4-177.966.3-143.6-2.3112.5S54 H55S54-R58 WeakPolarHBondContact O-CB 3.46Å; S54-R58 PolarHBondContact O-N 2.9Å; H55-R58 PolarHBondContact ND1-NH2 3.43Å; H55-R58 PolarHBondContact O-N 3.12Å
59R84.8Confident85.7Confident108 Ų10878.8 Ų78.841%0.40837%0.37SS..Hα-helixtrans-81.7-35.5-178.1-176.4172.7-175.7140.710.4113.6S39 H55 L56 R57S39-R59 VanDerWaalsContact CB-NH1 3.3Å; S39-R59 PolarHBondContact OG-NH1 3Å; H55-R59 WeakPolarHBondContact O-CB 3.36Å; H55-R59 PolarHBondContact O-N 3.37Å; L56-R59 PolarHBondContact O-N 2.92Å; R57-R59 PolarHBondContact O-N 3.03Å; R57-R59 VanDerWaalsContact O-N 3.16Å
60F85.1Confident85.7Confident68 Ų6883.4 Ų83.430%0.29839%0.388SS..Hα-helixtrans-122.2-24.2-165.5-68.4-65.6000114.9V3 I36 L56 R57 K62V3-F60 HydrophobicContact CB-CB 3.75Å; V3-F60 HydrophobicContact CG1-CB 4.02Å; V3-F60 HydrophobicContact CG2-CB 4.18Å; V3-F60 HydrophobicContact CG2-CD2 4.42Å; I36-F60 HydrophobicContact CD1-CE1 4.37Å; I36-F60 HydrophobicContact CD1-CE2 3.69Å; I36-F60 HydrophobicContact CD1-CZ 3.27Å; I36-F60 HydrophobicContact CG1-CE2 3.98Å; I36-F60 HydrophobicContact CG1-CZ 3.66Å; I36-F60 HydrophobicContact CG2-CE2 4.42Å; L56-F60 HydrophobicContact CD2-CD2 4.16Å; L56-F60 HydrophobicContact CD2-CE2 3.9Å; L56-F60 WeakPolarHBondContact O-CB 3.43Å; L56-F60 WeakPolarHBondContact O-CD2 3.17Å; L56-F60 PolarHBondContact O-N 2.84Å; R57-F60 PolarHBondContact O-N 3.17Å; F60-K62 PolarHBondContact O-N 3Å
61R78.3Confident85.8Confident139 Ų13981.7 Ų81.753%0.52538%0.381SS..SBendtrans-69.4123.6175.6-163.4175.5-175.7172.75.9106.9V3 D4 R57 D63V3-R61 HydrophobicContact CG1-CB 4.06Å; D4-R61 IonicContact OD2-CZ 2.69Å; D4-R61 IonicContact OD2-NE 3.86Å; R57-R61 HydrophobicContact CB-CB 4.32Å; R57-R61 WeakPolarHBondContact O-CA 3.39Å; R57-R61 WeakPolarHBondContact O-CB 3.43Å; R57-R61 PolarHBondContact O-N 3.47Å; R61-D63 PolarHBondContact O-N 3.28Å
62K70.9Confident85.9Confident166 Ų16682 Ų8272%0.72238%0.378SS*.  trans-67.4129.8166.4-63.7-178.2-179.5176.20106.8F60 D64F60-K62 PolarHBondContact O-N 3Å; K62-D64 PolarHBondContact O-N 2.81Å
63D66.1Low86.1Confident164 Ų16482 Ų8288%0.87738%0.378SS*.  trans-78.268.7174.2-160.56.2000108.6R61 S65R61-D63 PolarHBondContact O-N 3.28Å; D63-S65 PolarHBondContact O-N 2.89Å
64D71.2Confident86.3Confident50 Ų5085.6 Ų85.627%0.26739%0.394SS..  trans-79.7111173.1-73.74000106.1K62 V68 Q69 Q72K62-D64 PolarHBondContact O-N 2.81Å; D64-V68 HydrophobicContact CB-CB 4.4Å; D64-V68 HydrophobicContact CB-CG1 4.11Å; D64-Q69 HydrophobicContact CB-CG 4.07Å; D64-Q69 PolarHBondContact O-NE2 3.49Å; D64-Q72 PolarHBondContact OD2-NE2 2.93Å
65S82.8Confident86.6Confident58 Ų5888.4 Ų88.441%0.40640%0.4SS..  trans-52.315117469.60000110.5D63 F67 V68 Q69D63-S65 PolarHBondContact O-N 2.89Å; S65-F67 PolarHBondContact O-N 2.81Å; S65-V68 WeakPolarHBondContact O-CA 3.28Å; S65-V68 WeakPolarHBondContact O-CB 3.37Å; S65-V68 PolarHBondContact O-N 3.36Å; S65-V68 WeakPolarHBondContact OG-CG2 3.46Å; S65-V68 PolarHBondContact OG-N 3.39Å; S65-Q69 PolarHBondContact O-N 2.96Å
66L85.4Confident87Confident89 Ų8988.5 Ų88.547%0.46640%0.399SS..Hα-helixtrans-52.9-31.8175.6-178.964.7000112R70 V98L66-R70 WeakPolarHBondContact O-CB 3.42Å; L66-R70 VanDerWaalsContact O-CG 3.28Å; L66-R70 WeakPolarHBondContact O-CG 3.35Å; L66-R70 PolarHBondContact O-N 3.32Å; L66-V98 HydrophobicContact CD1-CG1 4.25Å
67F88.1Confident87.3Confident148 Ų14892.6 Ų92.665%0.64942%0.424SS*.Hα-helixtrans-62.5-45.5173.5178.2-98.1000112.3S65 R70 L71S65-F67 PolarHBondContact O-N 2.81Å; F67-R70 PolarHBondContact O-N 3.13Å; F67-L71 WeakPolarHBondContact O-CB 3.49Å; F67-L71 PolarHBondContact O-N 2.8Å
68V88.3Confident87.7Confident52 Ų5288.9 Ų88.932%0.31541%0.41SS..Hα-helixtrans-64.4-42.4177.4170.80000111.1D64 S65 R70 L71 Q72D64-V68 HydrophobicContact CB-CB 4.4Å; D64-V68 HydrophobicContact CB-CG1 4.11Å; S65-V68 WeakPolarHBondContact O-CA 3.28Å; S65-V68 WeakPolarHBondContact O-CB 3.37Å; S65-V68 PolarHBondContact O-N 3.36Å; S65-V68 WeakPolarHBondContact OG-CG2 3.46Å; S65-V68 PolarHBondContact OG-N 3.39Å; V68-R70 VanDerWaalsContact C-N 3.35Å; V68-R70 PolarHBondContact O-N 3.49Å; V68-L71 WeakPolarHBondContact O-CB 3.39Å; V68-L71 PolarHBondContact O-N 2.94Å; V68-Q72 HydrophobicContact CG1-CG 4.48Å; V68-Q72 WeakPolarHBondContact O-CG 3.31Å; V68-Q72 PolarHBondContact O-N 3.28Å
69Q89.1Confident88.3Confident31 Ų3185.8 Ų85.815%0.14540%0.402CS..Hα-helixtrans-63-42.1176.9-64.1171.534.800111.6D64 S65 L71 Q72 F73 V98D64-Q69 HydrophobicContact CB-CG 4.07Å; D64-Q69 PolarHBondContact O-NE2 3.49Å; S65-Q69 PolarHBondContact O-N 2.96Å; Q69-L71 VanDerWaalsContact C-N 3.3Å; Q69-L71 PolarHBondContact O-N 2.86Å; Q69-Q72 WeakPolarHBondContact O-CB 3.16Å; Q69-Q72 PolarHBondContact O-N 3.3Å; Q69-F73 PolarHBondContact O-N 3.25Å; Q69-V98 HydrophobicContact CB-CG1 3.45Å; Q69-V98 VanDerWaalsContact CB-CG1 3.45Å
70R93.3Very high88.9Confident120 Ų12086 Ų8645%0.45342%0.417SS..Hα-helixtrans-61.6-42.2174-75.7173.6176.6-171.2-0.6111.1L66 F67 V68 Q72 F73 F74 V98L66-R70 WeakPolarHBondContact O-CB 3.42Å; L66-R70 VanDerWaalsContact O-CG 3.28Å; L66-R70 WeakPolarHBondContact O-CG 3.35Å; L66-R70 PolarHBondContact O-N 3.32Å; F67-R70 PolarHBondContact O-N 3.13Å; V68-R70 VanDerWaalsContact C-N 3.35Å; V68-R70 PolarHBondContact O-N 3.49Å; R70-Q72 VanDerWaalsContact C-N 3.35Å; R70-F73 WeakPolarHBondContact O-CB 3.28Å; R70-F73 PolarHBondContact O-N 3.42Å; R70-F74 HydrophobicContact CB-CE2 4.42Å; R70-F74 WeakPolarHBondContact O-CD2 3.49Å; R70-F74 PolarHBondContact O-N 3.3Å; R70-V98 HydrophobicContact CG-CB 3.97Å; R70-V98 HydrophobicContact CG-CG1 4.04Å; R70-V98 HydrophobicContact CG-CG2 4.41Å
71L93.5Very high89.3Confident67 Ų6786.6 Ų86.635%0.35144%0.443SS..Hα-helixtrans-63.3-41.5177-171.864.5000111.5F67 V68 Q69 F73 F74 Q75F67-L71 WeakPolarHBondContact O-CB 3.49Å; F67-L71 PolarHBondContact O-N 2.8Å; V68-L71 WeakPolarHBondContact O-CB 3.39Å; V68-L71 PolarHBondContact O-N 2.94Å; Q69-L71 VanDerWaalsContact C-N 3.3Å; Q69-L71 PolarHBondContact O-N 2.86Å; L71-F73 VanDerWaalsContact C-N 3.32Å; L71-F73 PolarHBondContact O-N 3.35Å; L71-F74 PolarHBondContact O-N 3.06Å; L71-Q75 HydrophobicContact CD1-CG 3.84Å; L71-Q75 VanDerWaalsContact CG-CD 3.47Å; L71-Q75 HydrophobicContact CG-CG 4.06Å; L71-Q75 VanDerWaalsContact O-CB 3.24Å; L71-Q75 WeakPolarHBondContact O-CB 3.45Å; L71-Q75 VanDerWaalsContact O-CG 3.28Å; L71-Q75 WeakPolarHBondContact O-CG 3.38Å; L71-Q75 PolarHBondContact O-N 2.96Å
72Q94Very high90.3Very high70 Ų7081.4 Ų81.433%0.32742%0.424SS..Hα-helixtrans-57.9-43.8174.8-73.1167.3-7.700111.4D64 V68 Q69 R70 R76 L94D64-Q72 PolarHBondContact OD2-NE2 2.93Å; V68-Q72 HydrophobicContact CG1-CG 4.48Å; V68-Q72 WeakPolarHBondContact O-CG 3.31Å; V68-Q72 PolarHBondContact O-N 3.28Å; Q69-Q72 WeakPolarHBondContact O-CB 3.16Å; Q69-Q72 PolarHBondContact O-N 3.3Å; R70-Q72 VanDerWaalsContact C-N 3.35Å; Q72-R76 WeakPolarHBondContact O-CB 3.05Å; Q72-R76 PolarHBondContact O-N 3.06Å; Q72-R76 VanDerWaalsContact O-N 3.14Å; Q72-L94 HydrophobicContact CB-CD2 4.29Å
73F97Very high91.5Very high1 Ų175 Ų750%0.00440%0.401CS..Hα-helixtrans-59.6-54.3174.2177.4-99.3000112.1Q69 R70 L71 Q75 R76 L91 L94 V98 K100 D104 L105 Q108Q69-F73 PolarHBondContact O-N 3.25Å; R70-F73 WeakPolarHBondContact O-CB 3.28Å; R70-F73 PolarHBondContact O-N 3.42Å; L71-F73 VanDerWaalsContact C-N 3.32Å; L71-F73 PolarHBondContact O-N 3.35Å; F73-Q75 VanDerWaalsContact C-N 3.31Å; F73-Q75 PolarHBondContact O-N 3.26Å; F73-R76 WeakPolarHBondContact O-CB 3.24Å; F73-R76 PolarHBondContact O-N 3.43Å; F73-L91 HydrophobicContact CD2-CD2 4.33Å; F73-L91 HydrophobicContact CE2-CD2 4.07Å; F73-L94 HydrophobicContact CB-CB 4.33Å; F73-L94 HydrophobicContact CD2-CB 4.01Å; F73-V98 HydrophobicContact CB-CG2 4.21Å; F73-V98 HydrophobicContact CG-CG2 4.43Å; F73-K100 HydrophobicContact CD1-CD 4.33Å; F73-K100 HydrophobicContact CD1-CG 3.98Å; F73-K100 HydrophobicContact CD2-CG 4.47Å; F73-K100 HydrophobicContact CE1-CB 4.46Å; F73-K100 HydrophobicContact CE1-CD 4.06Å; F73-K100 HydrophobicContact CE1-CG 3.85Å; F73-K100 HydrophobicContact CE2-CB 4.45Å; F73-K100 HydrophobicContact CE2-CG 4.37Å; F73-K100 HydrophobicContact CG-CG 4.29Å; F73-K100 HydrophobicContact CZ-CB 4.2Å; F73-K100 HydrophobicContact CZ-CG 4.06Å; F73-D104 HydrophobicContact CE1-CB 4.3Å; F73-D104 HydrophobicContact CZ-CB 4.24Å; F73-L105 HydrophobicContact CE2-CD2 3.59Å; F73-L105 HydrophobicContact CZ-CD2 3.98Å; F73-Q108 HydrophobicContact CE1-CB 4.03Å; F73-Q108 HydrophobicContact CE1-CG 4.23Å; F73-Q108 HydrophobicContact CE2-CB 4.38Å; F73-Q108 HydrophobicContact CE2-CG 4.36Å; F73-Q108 HydrophobicContact CZ-CB 3.71Å; F73-Q108 HydrophobicContact CZ-CG 4.05Å; F73-Q108 PolarHBondContact O-NE2 2.72Å
74F96.5Very high93Very high106 Ų10667.5 Ų67.547%0.46536%0.36SS..Hα-helixtrans-69.2-25.9-176.2-69-60000114.2R70 L71 Q108R70-F74 HydrophobicContact CB-CE2 4.42Å; R70-F74 WeakPolarHBondContact O-CD2 3.49Å; R70-F74 PolarHBondContact O-N 3.3Å; L71-F74 PolarHBondContact O-N 3.06Å; F74-Q108 PolarHBondContact O-NE2 2.73Å; F74-Q108 PolarHBondContact O-OE1 3.04Å
75Q96.9Very high94.3Very high128 Ų12868.2 Ų68.260%0.59836%0.364SS*.Hα-helixtrans-89.2-5.2177.2-68.9-177.7-24.200113L71 F73 V77L71-Q75 HydrophobicContact CD1-CG 3.84Å; L71-Q75 VanDerWaalsContact CG-CD 3.47Å; L71-Q75 HydrophobicContact CG-CG 4.06Å; L71-Q75 VanDerWaalsContact O-CB 3.24Å; L71-Q75 WeakPolarHBondContact O-CB 3.45Å; L71-Q75 VanDerWaalsContact O-CG 3.28Å; L71-Q75 WeakPolarHBondContact O-CG 3.38Å; L71-Q75 PolarHBondContact O-N 2.96Å; F73-Q75 VanDerWaalsContact C-N 3.31Å; F73-Q75 PolarHBondContact O-N 3.26Å; Q75-V77 PolarHBondContact O-N 3.44Å
76R97.9Very high95.1Very high21 Ų2169.9 Ų69.98%0.07937%0.368CS..  trans-70.5114.7-177.6-176.657.617196.96110.3Q72 F73 E82 F87 L91 L94 Q108Q72-R76 WeakPolarHBondContact O-CB 3.05Å; Q72-R76 PolarHBondContact O-N 3.06Å; Q72-R76 VanDerWaalsContact O-N 3.14Å; F73-R76 WeakPolarHBondContact O-CB 3.24Å; F73-R76 PolarHBondContact O-N 3.43Å; R76-E82 IonicContact CZ-OE1 2.93Å; R76-E82 IonicContact CZ-OE2 2.71Å; R76-E82 IonicContact NH1-OE1 3.38Å; R76-E82 IonicContact NH1-OE2 2.75Å; R76-E82 PolarHBondContact NH1-OE2 3.29Å; R76-E82 IonicContact NH2-OE1 2.78Å; R76-E82 PolarHBondContact NH2-OE1 3.4Å; R76-E82 IonicContact NH2-OE2 2.78Å; R76-E82 PolarHBondContact NH2-OE2 2.89Å; R76-F87 HydrophobicContact CG-CD2 4.45Å; R76-F87 HydrophobicContact CG-CE2 3.97Å; R76-L91 HydrophobicContact CB-CD2 3.86Å; R76-L91 HydrophobicContact CG-CD2 3.68Å; R76-L91 HydrophobicContact CG-CG 4.4Å; R76-L94 HydrophobicContact CB-CD1 3.99Å; R76-L94 HydrophobicContact CG-CD1 3.9Å; R76-Q108 PolarHBondContact O-NE2 2.62Å
77V98.4Very high95.7Very high86 Ų8665.6 Ų65.652%0.52135%0.346SS..  trans-120.9149.5172.8-58.90000109.9Q75 K79 G112Q75-V77 PolarHBondContact O-N 3.44Å; V77-K79 PolarHBondContact O-N 2.86Å; V77-G112 CarbonylContact C-O 3.53Å; V77-G112 WeakPolarHBondContact CA-O 3.37Å; V77-G112 WeakPolarHBondContact CB-O 3.4Å
78Q98.6Very high96.2Very high8 Ų858.6 Ų58.64%0.03732%0.315CS..PPolyproline II helixtrans-55.8124.7178.1-173.9179.722.400110.6E82 F84 F87 G112 Q114Q78-E82 WeakPolarHBondContact CA-OE2 3.26Å; Q78-E82 HydrophobicContact CG-CB 4.07Å; Q78-E82 PolarHBondContact NE2-O 3.21Å; Q78-F84 VanDerWaalsContact NE2-CD1 3.33Å; Q78-F87 HydrophobicContact CB-CB 4.47Å; Q78-F87 HydrophobicContact CB-CD1 3.69Å; Q78-F87 HydrophobicContact CB-CD2 4.4Å; Q78-F87 HydrophobicContact CB-CE1 3.97Å; Q78-F87 HydrophobicContact CB-CG 3.93Å; Q78-F87 HydrophobicContact CB-CZ 4.44Å; Q78-F87 HydrophobicContact CG-CB 4.2Å; Q78-F87 HydrophobicContact CG-CD1 4.11Å; Q78-F87 HydrophobicContact CG-CG 4.2Å; Q78-G112 PolarHBondContact N-O 2.71Å; Q78-Q114 HydrophobicContact CB-CB 4.22Å; Q78-Q114 HydrophobicContact CG-CB 4.38Å
79K97.9Very high96.7Very high122 Ų12260.1 Ų60.153%0.5332%0.322SS..PPolyproline II helixtrans-74.6153.5179.4-63.3170-173.3162.50110.3V77 G81 E82V77-K79 PolarHBondContact O-N 2.86Å; K79-G81 PolarHBondContact O-N 3.17Å; K79-E82 HydrophobicContact CB-CB 4.03Å; K79-E82 PolarHBondContact N-OE2 3.43Å; K79-E82 WeakPolarHBondContact O-CB 3.43Å; K79-E82 PolarHBondContact O-N 3.14Å
80P96.6Very high97.1Very high111 Ų11162.5 Ų62.572%0.72133%0.333SS*.THydrogen-bonded Turntrans-55124.8173.5-24.733.9000111.9E82P80-E82 PolarHBondContact O-N 3.47Å
81G95.3Very high97.3Very high81 Ų8156.8 Ų56.884%0.83531%0.311SS*.THydrogen-bonded Turntrans80-4.3-179.100000115.3K79K79-G81 PolarHBondContact O-N 3.17Å
82E97.9Very high97.6Very high30 Ų3057.6 Ų57.614%0.1431%0.31CS..  trans-68.6135.6174.4-172.5169.9-118.300110.6R76 Q78 K79 P80 D86 F87R76-E82 IonicContact CZ-OE1 2.93Å; R76-E82 IonicContact CZ-OE2 2.71Å; R76-E82 IonicContact NH1-OE1 3.38Å; R76-E82 IonicContact NH1-OE2 2.75Å; R76-E82 PolarHBondContact NH1-OE2 3.29Å; R76-E82 IonicContact NH2-OE1 2.78Å; R76-E82 PolarHBondContact NH2-OE1 3.4Å; R76-E82 IonicContact NH2-OE2 2.78Å; R76-E82 PolarHBondContact NH2-OE2 2.89Å; Q78-E82 WeakPolarHBondContact CA-OE2 3.26Å; Q78-E82 HydrophobicContact CG-CB 4.07Å; Q78-E82 PolarHBondContact NE2-O 3.21Å; K79-E82 HydrophobicContact CB-CB 4.03Å; K79-E82 PolarHBondContact N-OE2 3.43Å; K79-E82 WeakPolarHBondContact O-CB 3.43Å; K79-E82 PolarHBondContact O-N 3.14Å; P80-E82 PolarHBondContact O-N 3.47Å; E82-D86 HydrophobicContact CG-CB 3.87Å; E82-F87 HydrophobicContact CG-CB 4.16Å
83S97Very high97.6Very high33 Ų3357.7 Ų57.723%0.23132%0.317CS..  trans-72.6163.1176.378.40000111D85 D86 F87S83-D85 PolarHBondContact O-N 3.36Å; S83-D85 PolarHBondContact OG-N 2.81Å; S83-D86 WeakPolarHBondContact CB-OD2 3.5Å; S83-D86 PolarHBondContact OG-N 2.99Å; S83-D86 PolarHBondContact OG-OD2 3.34Å; S83-F87 WeakPolarHBondContact O-CB 3.37Å; S83-F87 PolarHBondContact O-N 3.46Å; S83-F87 VanDerWaalsContact O-N 3.11Å
84F98.2Very high97.5Very high5 Ų558.4 Ų58.42%0.02232%0.321CS..Hα-helixtrans-65.2-33.3173.9-62.4-43.3000111.9Q78 A88 F109 L113 A137 K138 R141Q78-F84 VanDerWaalsContact NE2-CD1 3.33Å; F84-A88 WeakPolarHBondContact O-CB 3.3Å; F84-A88 PolarHBondContact O-N 2.99Å; F84-F109 HydrophobicContact CB-CZ 4.31Å; F84-F109 HydrophobicContact CD1-CZ 4.47Å; F84-L113 HydrophobicContact CD1-CD2 3.57Å; F84-L113 HydrophobicContact CE1-CD2 3.57Å; F84-A137 HydrophobicContact CD2-CB 3.99Å; F84-A137 HydrophobicContact CE2-CB 4.01Å; F84-A137 VanDerWaalsContact CE2-O 3.27Å; F84-A137 WeakPolarHBondContact CE2-O 3.34Å; F84-A137 HydrophobicContact CG-CB 4.25Å; F84-A137 HydrophobicContact CZ-CB 4.33Å; F84-K138 HydrophobicContact CB-CG 4.3Å; F84-K138 HydrophobicContact CD2-CG 3.96Å; F84-R141 HydrophobicContact CE2-CB 3.71Å; F84-R141 HydrophobicContact CE2-CG 4.39Å; F84-R141 HydrophobicContact CZ-CB 4.36Å
85D98.3Very high97.5Very high65 Ų6553.4 Ų53.435%0.34830%0.299SS..Hα-helixtrans-68.4-47.4178.7-64-59.6000110.6S83 F87 A88 D89 K138S83-D85 PolarHBondContact O-N 3.36Å; S83-D85 PolarHBondContact OG-N 2.81Å; D85-F87 VanDerWaalsContact C-N 3.34Å; D85-F87 PolarHBondContact O-N 2.78Å; D85-A88 PolarHBondContact O-N 3.41Å; D85-D89 WeakPolarHBondContact O-CB 3.35Å; D85-D89 PolarHBondContact O-N 3.33Å; D85-K138 IonicContact OD1-NZ 3.93Å; D85-K138 PolarHBondContact OD1-NZ 3.01Å; D85-K138 WeakPolarHBondContact OD2-CE 3.49Å; D85-K138 IonicContact OD2-NZ 3.77Å; D85-K138 PolarHBondContact OD2-NZ 3.49Å
86D98.4Very high97.3Very high93 Ų9351.2 Ų51.250%0.49730%0.303SS..Hα-helixtrans-62.7-41178.1-59-46.7000112E82 S83 E90E82-D86 HydrophobicContact CG-CB 3.87Å; S83-D86 WeakPolarHBondContact CB-OD2 3.5Å; S83-D86 PolarHBondContact OG-N 2.99Å; S83-D86 PolarHBondContact OG-OD2 3.34Å; D86-E90 WeakPolarHBondContact O-CB 3.48Å; D86-E90 PolarHBondContact O-N 2.86Å
87F98.7Very high96.8Very high0 Ų055.5 Ų55.50%032%0.324CS..Hα-helixtrans-64-43.8175.7174.9-142.5000111.3R76 Q78 E82 S83 D85 E90 L91 F109 L113R76-F87 HydrophobicContact CG-CD2 4.45Å; R76-F87 HydrophobicContact CG-CE2 3.97Å; Q78-F87 HydrophobicContact CB-CB 4.47Å; Q78-F87 HydrophobicContact CB-CD1 3.69Å; Q78-F87 HydrophobicContact CB-CD2 4.4Å; Q78-F87 HydrophobicContact CB-CE1 3.97Å; Q78-F87 HydrophobicContact CB-CG 3.93Å; Q78-F87 HydrophobicContact CB-CZ 4.44Å; Q78-F87 HydrophobicContact CG-CB 4.2Å; Q78-F87 HydrophobicContact CG-CD1 4.11Å; Q78-F87 HydrophobicContact CG-CG 4.2Å; E82-F87 HydrophobicContact CG-CB 4.16Å; S83-F87 WeakPolarHBondContact O-CB 3.37Å; S83-F87 PolarHBondContact O-N 3.46Å; S83-F87 VanDerWaalsContact O-N 3.11Å; D85-F87 VanDerWaalsContact C-N 3.34Å; D85-F87 PolarHBondContact O-N 2.78Å; F87-E90 PolarHBondContact O-N 3.19Å; F87-L91 HydrophobicContact CD2-CD1 4.17Å; F87-L91 HydrophobicContact CD2-CG 4.08Å; F87-L91 HydrophobicContact CE1-CD1 4.24Å; F87-L91 HydrophobicContact CE2-CD1 3.55Å; F87-L91 HydrophobicContact CE2-CD2 4.05Å; F87-L91 HydrophobicContact CE2-CG 3.65Å; F87-L91 HydrophobicContact CZ-CD1 3.61Å; F87-L91 HydrophobicContact CZ-CG 4.23Å; F87-L91 PolarHBondContact O-N 2.84Å; F87-F109 AromaticContact CD1-CD2 3.6Å; F87-F109 HydrophobicContact CD1-CD2 3.6Å; F87-F109 AromaticContact CD1-CE2 3.63Å; F87-F109 HydrophobicContact CD1-CE2 3.63Å; F87-F109 AromaticContact CE1-CD2 3.58Å; F87-F109 HydrophobicContact CE1-CD2 3.58Å; F87-F109 HydrophobicContact CE1-CE2 4.02Å; F87-F109 HydrophobicContact CE1-CG 4.26Å; F87-F109 HydrophobicContact CG-CD2 4.44Å; F87-F109 HydrophobicContact CG-CE2 4.5Å; F87-F109 HydrophobicContact CZ-CD2 4.39Å; F87-L113 HydrophobicContact CD1-CD2 4.01Å; F87-L113 HydrophobicContact CE1-CD2 3.99Å; F87-L113 HydrophobicContact CE1-CG 4.38Å
88A98.7Very high96.5Very high0 Ų052.1 Ų52.10%030%0.304CS..Hα-helixtrans-63.9-43.7178.100000112F84 D85 E90 L91 R92 F109 F130 V134F84-A88 WeakPolarHBondContact O-CB 3.3Å; F84-A88 PolarHBondContact O-N 2.99Å; D85-A88 PolarHBondContact O-N 3.41Å; A88-E90 VanDerWaalsContact C-N 3.35Å; A88-E90 PolarHBondContact O-N 3.09Å; A88-L91 PolarHBondContact O-N 3.06Å; A88-R92 WeakPolarHBondContact O-CG 3.46Å; A88-R92 PolarHBondContact O-N 2.91Å; A88-F109 HydrophobicContact CB-CD2 4.44Å; A88-F109 HydrophobicContact CB-CE2 4.22Å; A88-F130 HydrophobicContact CB-CE1 4.42Å; A88-F130 HydrophobicContact CB-CE2 4.28Å; A88-F130 HydrophobicContact CB-CZ 3.64Å; A88-V134 HydrophobicContact CB-CG1 4.32Å; A88-V134 HydrophobicContact CB-CG2 3.63Å
89D98.3Very high96.3Very high84 Ų8454.1 Ų54.145%0.44933%0.326SS..Hα-helixtrans-62.2-42.3177.8-75-16.9000111.8D85 L91 R92 C93D85-D89 WeakPolarHBondContact O-CB 3.35Å; D85-D89 PolarHBondContact O-N 3.33Å; D89-L91 VanDerWaalsContact C-N 3.33Å; D89-L91 PolarHBondContact O-N 2.74Å; D89-R92 WeakPolarHBondContact O-CB 3.16Å; D89-R92 PolarHBondContact O-N 2.66Å; D89-R92 IonicContact OD1-CZ 2.74Å; D89-R92 IonicContact OD1-NH1 2.66Å; D89-R92 PolarHBondContact OD1-NH1 3.22Å; D89-C93 PolarHBondContact O-N 3.45Å; D89-C93 PolarHBondContact O-SG 3.33Å; D89-C93 VanDerWaalsContact O-SG 3.34Å
90E97.4Very high96.2Very high82 Ų8250.5 Ų50.538%0.38331%0.311SS..Hα-helixtrans-64.2-38.6175.7-169.365.6-168.100112.1D86 F87 A88 R92 C93 L94D86-E90 WeakPolarHBondContact O-CB 3.48Å; D86-E90 PolarHBondContact O-N 2.86Å; F87-E90 PolarHBondContact O-N 3.19Å; A88-E90 VanDerWaalsContact C-N 3.35Å; A88-E90 PolarHBondContact O-N 3.09Å; E90-R92 VanDerWaalsContact C-N 3.35Å; E90-C93 PolarHBondContact O-N 3.31Å; E90-L94 HydrophobicContact CG-CD1 4.26Å; E90-L94 WeakPolarHBondContact O-CG 3.48Å; E90-L94 PolarHBondContact O-N 3.48Å
91L98.6Very high96.2Very high0 Ų051.5 Ų51.50%031%0.305CS..Hα-helixtrans-64.3-38173.7-76.2179.4000112.3F73 R76 F87 A88 D89 G95 L105 Q108 F109 F130F73-L91 HydrophobicContact CD2-CD2 4.33Å; F73-L91 HydrophobicContact CE2-CD2 4.07Å; R76-L91 HydrophobicContact CB-CD2 3.86Å; R76-L91 HydrophobicContact CG-CD2 3.68Å; R76-L91 HydrophobicContact CG-CG 4.4Å; F87-L91 HydrophobicContact CD2-CD1 4.17Å; F87-L91 HydrophobicContact CD2-CG 4.08Å; F87-L91 HydrophobicContact CE1-CD1 4.24Å; F87-L91 HydrophobicContact CE2-CD1 3.55Å; F87-L91 HydrophobicContact CE2-CD2 4.05Å; F87-L91 HydrophobicContact CE2-CG 3.65Å; F87-L91 HydrophobicContact CZ-CD1 3.61Å; F87-L91 HydrophobicContact CZ-CG 4.23Å; F87-L91 PolarHBondContact O-N 2.84Å; A88-L91 PolarHBondContact O-N 3.06Å; D89-L91 VanDerWaalsContact C-N 3.33Å; D89-L91 PolarHBondContact O-N 2.74Å; L91-G95 WeakPolarHBondContact O-CA 3.43Å; L91-G95 PolarHBondContact O-N 3.44Å; L91-L105 HydrophobicContact CB-CD2 4.45Å; L91-L105 VanDerWaalsContact O-CD2 3.3Å; L91-L105 WeakPolarHBondContact O-CD2 3.47Å; L91-Q108 HydrophobicContact CD1-CG 4.37Å; L91-Q108 HydrophobicContact CD2-CB 4.34Å; L91-Q108 HydrophobicContact CD2-CG 3.57Å; L91-F109 HydrophobicContact CD1-CB 3.75Å; L91-F109 HydrophobicContact CD1-CD2 4.14Å; L91-F109 HydrophobicContact CD1-CG 4.47Å; L91-F130 HydrophobicContact CB-CZ 4.42Å
92R98.1Very high96.4Very high84 Ų8450.7 Ų50.732%0.31728%0.282SS..Hα-helixtrans-61.4-45173.8-67.6-177.4-174.499.12.9111A88 D89 E90 G95 A96 L105 F130 D131A88-R92 WeakPolarHBondContact O-CG 3.46Å; A88-R92 PolarHBondContact O-N 2.91Å; D89-R92 WeakPolarHBondContact O-CB 3.16Å; D89-R92 PolarHBondContact O-N 2.66Å; D89-R92 IonicContact OD1-CZ 2.74Å; D89-R92 IonicContact OD1-NH1 2.66Å; D89-R92 PolarHBondContact OD1-NH1 3.22Å; E90-R92 VanDerWaalsContact C-N 3.35Å; R92-G95 PolarHBondContact O-N 3.06Å; R92-A96 VanDerWaalsContact O-CB 3.26Å; R92-A96 WeakPolarHBondContact O-CB 3.38Å; R92-A96 PolarHBondContact O-N 3.19Å; R92-L105 HydrophobicContact CG-CD1 4.39Å; R92-F130 HydrophobicContact CG-CD1 4.5Å; R92-F130 HydrophobicContact CG-CE1 3.65Å; R92-F130 HydrophobicContact CG-CZ 4.49Å; R92-D131 IonicContact CZ-OD1 3.06Å; R92-D131 IonicContact NH2-OD1 3.57Å; R92-D131 PolarHBondContact NH2-OD1 3.05Å
93C94.3Very high96.4Very high71 Ų7153.6 Ų53.648%0.4830%0.298SS..Hα-helixtrans-59.3-56.2177.6-68.30000111.4D89 E90 G95 A96 E97D89-C93 PolarHBondContact O-N 3.45Å; D89-C93 PolarHBondContact O-SG 3.33Å; D89-C93 VanDerWaalsContact O-SG 3.34Å; E90-C93 PolarHBondContact O-N 3.31Å; C93-G95 VanDerWaalsContact C-N 3.3Å; C93-G95 PolarHBondContact O-N 2.84Å; C93-A96 PolarHBondContact O-N 3.38Å; C93-E97 WeakPolarHBondContact O-CG 3.37Å; C93-E97 PolarHBondContact O-N 2.99Å
94L94.7Very high96.4Very high17 Ų1754.1 Ų54.19%0.08930%0.299CS..Hα-helixtrans-62-38.5179.8-67.4172.2000112.2Q72 F73 R76 E90 E97 V98Q72-L94 HydrophobicContact CB-CD2 4.29Å; F73-L94 HydrophobicContact CB-CB 4.33Å; F73-L94 HydrophobicContact CD2-CB 4.01Å; R76-L94 HydrophobicContact CB-CD1 3.99Å; R76-L94 HydrophobicContact CG-CD1 3.9Å; E90-L94 HydrophobicContact CG-CD1 4.26Å; E90-L94 WeakPolarHBondContact O-CG 3.48Å; E90-L94 PolarHBondContact O-N 3.48Å; L94-E97 PolarHBondContact O-N 3.19Å; L94-V98 WeakPolarHBondContact O-CG2 3.4Å; L94-V98 PolarHBondContact O-N 2.91Å
95G96.5Very high96.5Very high1 Ų154.9 Ų54.91%0.0130%0.303CS..Hα-helixtrans-66.9-41.7178.600000112.7L91 R92 C93 E97 V98 G99 K100L91-G95 WeakPolarHBondContact O-CA 3.43Å; L91-G95 PolarHBondContact O-N 3.44Å; R92-G95 PolarHBondContact O-N 3.06Å; C93-G95 VanDerWaalsContact C-N 3.3Å; C93-G95 PolarHBondContact O-N 2.84Å; G95-E97 VanDerWaalsContact C-N 3.31Å; G95-E97 PolarHBondContact O-N 2.96Å; G95-V98 CarbonylContact O-C 3.51Å; G95-V98 PolarHBondContact O-N 3.4Å; G95-G99 PolarHBondContact O-N 3.43Å; G95-K100 PolarHBondContact O-N 3.01Å
96A93.5Very high96.5Very high81 Ų8153 Ų5367%0.66929%0.292SS*.Hα-helixtrans-62.7-37.5176.900000112.1R92 C93 V98R92-A96 VanDerWaalsContact O-CB 3.26Å; R92-A96 WeakPolarHBondContact O-CB 3.38Å; R92-A96 PolarHBondContact O-N 3.19Å; C93-A96 PolarHBondContact O-N 3.38Å; A96-V98 VanDerWaalsContact C-N 3.3Å; A96-V98 PolarHBondContact O-N 3.35Å
97E88.1Confident96.5Very high111 Ų11154.2 Ų54.252%0.51929%0.294SS..Hα-helixtrans-63.6-33.6177.5-71.5180-179.600113C93 L94 G95C93-E97 WeakPolarHBondContact O-CG 3.37Å; C93-E97 PolarHBondContact O-N 2.99Å; L94-E97 PolarHBondContact O-N 3.19Å; G95-E97 VanDerWaalsContact C-N 3.31Å; G95-E97 PolarHBondContact O-N 2.96Å
98V92Very high96.5Very high16 Ų1654.8 Ų54.810%0.09730%0.297CS..Hα-helixtrans-111.210.4-175.2-55.90000114.7L66 Q69 R70 F73 L94 G95 A96 K100L66-V98 HydrophobicContact CD1-CG1 4.25Å; Q69-V98 HydrophobicContact CB-CG1 3.45Å; Q69-V98 VanDerWaalsContact CB-CG1 3.45Å; R70-V98 HydrophobicContact CG-CB 3.97Å; R70-V98 HydrophobicContact CG-CG1 4.04Å; R70-V98 HydrophobicContact CG-CG2 4.41Å; F73-V98 HydrophobicContact CB-CG2 4.21Å; F73-V98 HydrophobicContact CG-CG2 4.43Å; L94-V98 WeakPolarHBondContact O-CG2 3.4Å; L94-V98 PolarHBondContact O-N 2.91Å; G95-V98 CarbonylContact O-C 3.51Å; G95-V98 PolarHBondContact O-N 3.4Å; A96-V98 VanDerWaalsContact C-N 3.3Å; A96-V98 PolarHBondContact O-N 3.35Å; V98-K100 HydrophobicContact CG2-CD 4.44Å; V98-K100 HydrophobicContact CG2-CG 3.5Å
99G94Very high96.5Very high50 Ų5054.8 Ų54.852%0.51530%0.297SS..THydrogen-bonded Turntrans75.228.5173.100000115G95 Q101G95-G99 PolarHBondContact O-N 3.43Å; G99-Q101 PolarHBondContact O-NE2 3Å; G99-Q101 VanDerWaalsContact O-NE2 3.09Å
100K96.2Very high96.5Very high46 Ų4651.6 Ų51.620%0.228%0.28CS..  trans-77.2141.3-179.4-65.3-64.2-168.4172.50112.2F73 G95 V98 D104F73-K100 HydrophobicContact CD1-CD 4.33Å; F73-K100 HydrophobicContact CD1-CG 3.98Å; F73-K100 HydrophobicContact CD2-CG 4.47Å; F73-K100 HydrophobicContact CE1-CB 4.46Å; F73-K100 HydrophobicContact CE1-CD 4.06Å; F73-K100 HydrophobicContact CE1-CG 3.85Å; F73-K100 HydrophobicContact CE2-CB 4.45Å; F73-K100 HydrophobicContact CE2-CG 4.37Å; F73-K100 HydrophobicContact CG-CG 4.29Å; F73-K100 HydrophobicContact CZ-CB 4.2Å; F73-K100 HydrophobicContact CZ-CG 4.06Å; G95-K100 PolarHBondContact O-N 3.01Å; V98-K100 HydrophobicContact CG2-CD 4.44Å; V98-K100 HydrophobicContact CG2-CG 3.5Å; K100-D104 HydrophobicContact CB-CB 3.9Å; K100-D104 HydrophobicContact CD-CB 3.75Å; K100-D104 VanDerWaalsContact CD-CG 3.44Å; K100-D104 WeakPolarHBondContact CD-OD1 3.42Å; K100-D104 HydrophobicContact CG-CB 4.31Å; K100-D104 IonicContact NZ-OD1 2.73Å; K100-D104 PolarHBondContact NZ-OD1 3.24Å
101Q96.6Very high96.5Very high131 Ų13154.2 Ų54.261%0.61229%0.294SS*.  trans-99175.4-176.8-55.8-55.2-55.800110.7G99 D103 D104 L105G99-Q101 PolarHBondContact O-NE2 3Å; G99-Q101 VanDerWaalsContact O-NE2 3.09Å; Q101-D103 VanDerWaalsContact C-N 3.29Å; Q101-D103 PolarHBondContact O-N 3.37Å; Q101-D104 PolarHBondContact N-OD2 3.07Å; Q101-D104 WeakPolarHBondContact O-CB 3.48Å; Q101-D104 PolarHBondContact O-N 2.89Å; Q101-D104 VanDerWaalsContact O-N 3.07Å; Q101-L105 WeakPolarHBondContact O-CG 3.31Å; Q101-L105 PolarHBondContact O-N 3.46Å
102D98.2Very high96.5Very high64 Ų6454.3 Ų54.334%0.34230%0.295SS..Hα-helixtrans-53.3-43.6-176.5-170.281.3000113D104 L105 K106 S129 F130D102-D104 PolarHBondContact O-N 3.46Å; D102-L105 PolarHBondContact O-N 3.07Å; D102-K106 WeakPolarHBondContact O-CB 3.44Å; D102-K106 PolarHBondContact O-N 2.81Å; D102-S129 WeakPolarHBondContact OD2-CA 3.31Å; D102-S129 WeakPolarHBondContact OD2-CB 3.44Å; D102-F130 VanDerWaalsContact OD1-CB 3.3Å; D102-F130 WeakPolarHBondContact OD1-CB 3.44Å; D102-F130 PolarHBondContact OD1-N 3.49Å; D102-F130 PolarHBondContact OD2-N 2.93Å
103D98.4Very high96.5Very high91 Ų9150.6 Ų50.649%0.48728%0.281SS..Hα-helixtrans-62.9-41.7178-75.7-35.3000112.5Q101 L105 K106 E107Q101-D103 VanDerWaalsContact C-N 3.29Å; Q101-D103 PolarHBondContact O-N 3.37Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 3.26Å; D103-K106 PolarHBondContact O-N 3.08Å; D103-K106 WeakPolarHBondContact OD1-CE 3.43Å; D103-K106 IonicContact OD1-NZ 3.62Å; D103-K106 PolarHBondContact OD1-NZ 3.19Å; D103-E107 WeakPolarHBondContact O-CB 3.2Å; D103-E107 VanDerWaalsContact O-CG 3.31Å; D103-E107 WeakPolarHBondContact O-CG 3.33Å; D103-E107 PolarHBondContact O-N 3.43Å
104D98.2Very high96.7Very high45 Ų4552.3 Ų52.324%0.24128%0.282CS..Hα-helixtrans-62.4-42.6175.8-64.2-86.7000111.2F73 K100 Q101 D102 Q108F73-D104 HydrophobicContact CE1-CB 4.3Å; F73-D104 HydrophobicContact CZ-CB 4.24Å; K100-D104 HydrophobicContact CB-CB 3.9Å; K100-D104 HydrophobicContact CD-CB 3.75Å; K100-D104 VanDerWaalsContact CD-CG 3.44Å; K100-D104 WeakPolarHBondContact CD-OD1 3.42Å; K100-D104 HydrophobicContact CG-CB 4.31Å; K100-D104 IonicContact NZ-OD1 2.73Å; K100-D104 PolarHBondContact NZ-OD1 3.24Å; Q101-D104 PolarHBondContact N-OD2 3.07Å; Q101-D104 WeakPolarHBondContact O-CB 3.48Å; Q101-D104 PolarHBondContact O-N 2.89Å; Q101-D104 VanDerWaalsContact O-N 3.07Å; D102-D104 PolarHBondContact O-N 3.46Å; D104-Q108 VanDerWaalsContact O-CB 3.31Å; D104-Q108 WeakPolarHBondContact O-CB 3.35Å; D104-Q108 PolarHBondContact O-N 2.95Å
105L98.8Very high96.7Very high20 Ų2053.8 Ų53.811%0.10529%0.29CS..Hα-helixtrans-64-44.8178.7-64.2-178.6000111F73 L91 R92 Q101 D102 D103 F109 F130F73-L105 HydrophobicContact CE2-CD2 3.59Å; F73-L105 HydrophobicContact CZ-CD2 3.98Å; L91-L105 HydrophobicContact CB-CD2 4.45Å; L91-L105 VanDerWaalsContact O-CD2 3.3Å; L91-L105 WeakPolarHBondContact O-CD2 3.47Å; R92-L105 HydrophobicContact CG-CD1 4.39Å; Q101-L105 WeakPolarHBondContact O-CG 3.31Å; Q101-L105 PolarHBondContact O-N 3.46Å; D102-L105 PolarHBondContact O-N 3.07Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 3.26Å; L105-F109 VanDerWaalsContact O-CB 3.22Å; L105-F109 WeakPolarHBondContact O-CB 3.34Å; L105-F109 PolarHBondContact O-N 3.46Å; L105-F130 HydrophobicContact CB-CB 4.05Å; L105-F130 HydrophobicContact CB-CD1 3.72Å; L105-F130 HydrophobicContact CB-CD2 3.98Å; L105-F130 HydrophobicContact CB-CE1 4.1Å; L105-F130 HydrophobicContact CB-CE2 4.36Å; L105-F130 HydrophobicContact CB-CG 3.63Å; L105-F130 HydrophobicContact CB-CZ 4.39Å; L105-F130 HydrophobicContact CD1-CD1 3.76Å; L105-F130 HydrophobicContact CD1-CE1 4.04Å; L105-F130 HydrophobicContact CD1-CG 4.47Å; L105-F130 HydrophobicContact CG-CD1 4.38Å
106K98.5Very high96.7Very high27 Ų2757 Ų5712%0.11731%0.309CS..Hα-helixtrans-59.5-50.8177.2178.9177.762.9-164.80111.6D102 D103 F109 I110 P127 D128 F130 A133D102-K106 WeakPolarHBondContact O-CB 3.44Å; D102-K106 PolarHBondContact O-N 2.81Å; D103-K106 PolarHBondContact O-N 3.08Å; D103-K106 WeakPolarHBondContact OD1-CE 3.43Å; D103-K106 IonicContact OD1-NZ 3.62Å; D103-K106 PolarHBondContact OD1-NZ 3.19Å; K106-F109 PolarHBondContact O-N 2.77Å; K106-I110 HydrophobicContact CG-CD1 4.06Å; K106-I110 VanDerWaalsContact O-CG1 3.29Å; K106-I110 WeakPolarHBondContact O-CG1 3.35Å; K106-I110 PolarHBondContact O-N 3.01Å; K106-P127 HydrophobicContact CD-CB 4.46Å; K106-P127 HydrophobicContact CD-CG 4.21Å; K106-P127 WeakPolarHBondContact CD-O 3.22Å; K106-P127 HydrophobicContact CG-CG 4.4Å; K106-D128 PolarHBondContact NZ-O 2.82Å; K106-F130 HydrophobicContact CB-CB 4.09Å; K106-A133 HydrophobicContact CG-CB 4.23Å
107E98.4Very high96.8Very high117 Ų11754.5 Ų54.555%0.54729%0.289SS..Hα-helixtrans-62.3-47.3179.8-72.7175.7-177.400111.4D103 F109 I110 M111D103-E107 WeakPolarHBondContact O-CB 3.2Å; D103-E107 VanDerWaalsContact O-CG 3.31Å; D103-E107 WeakPolarHBondContact O-CG 3.33Å; D103-E107 PolarHBondContact O-N 3.43Å; E107-F109 VanDerWaalsContact C-N 3.33Å; E107-F109 PolarHBondContact O-N 2.86Å; E107-I110 PolarHBondContact O-N 3.18Å; E107-M111 WeakPolarHBondContact O-CB 3.38Å; E107-M111 WeakPolarHBondContact O-CG 3.16Å; E107-M111 PolarHBondContact O-N 3.11Å
108Q98.5Very high97.3Very high12 Ų1249.3 Ų49.36%0.05627%0.265CS..Hα-helixtrans-64.3-37.9178.3-172.862.131.700112.1F73 F74 R76 L91 D104 G112F73-Q108 HydrophobicContact CE1-CB 4.03Å; F73-Q108 HydrophobicContact CE1-CG 4.23Å; F73-Q108 HydrophobicContact CE2-CB 4.38Å; F73-Q108 HydrophobicContact CE2-CG 4.36Å; F73-Q108 HydrophobicContact CZ-CB 3.71Å; F73-Q108 HydrophobicContact CZ-CG 4.05Å; F73-Q108 PolarHBondContact O-NE2 2.72Å; F74-Q108 PolarHBondContact O-NE2 2.73Å; F74-Q108 PolarHBondContact O-OE1 3.04Å; R76-Q108 PolarHBondContact O-NE2 2.62Å; L91-Q108 HydrophobicContact CD1-CG 4.37Å; L91-Q108 HydrophobicContact CD2-CB 4.34Å; L91-Q108 HydrophobicContact CD2-CG 3.57Å; D104-Q108 VanDerWaalsContact O-CB 3.31Å; D104-Q108 WeakPolarHBondContact O-CB 3.35Å; D104-Q108 PolarHBondContact O-N 2.95Å; Q108-G112 WeakPolarHBondContact O-CA 3.47Å; Q108-G112 PolarHBondContact O-N 3.4Å
109F98.8Very high97.5Very high0 Ų050.5 Ų50.50%027%0.27CS..Hα-helixtrans-61.3-53.5175179.6-100.1000110.8F84 F87 A88 L91 L105 K106 E107 M111 G112 L113 L122 F130 A133 V134 A137F84-F109 HydrophobicContact CB-CZ 4.31Å; F84-F109 HydrophobicContact CD1-CZ 4.47Å; F87-F109 AromaticContact CD1-CD2 3.6Å; F87-F109 HydrophobicContact CD1-CD2 3.6Å; F87-F109 AromaticContact CD1-CE2 3.63Å; F87-F109 HydrophobicContact CD1-CE2 3.63Å; F87-F109 AromaticContact CE1-CD2 3.58Å; F87-F109 HydrophobicContact CE1-CD2 3.58Å; F87-F109 HydrophobicContact CE1-CE2 4.02Å; F87-F109 HydrophobicContact CE1-CG 4.26Å; F87-F109 HydrophobicContact CG-CD2 4.44Å; F87-F109 HydrophobicContact CG-CE2 4.5Å; F87-F109 HydrophobicContact CZ-CD2 4.39Å; A88-F109 HydrophobicContact CB-CD2 4.44Å; A88-F109 HydrophobicContact CB-CE2 4.22Å; L91-F109 HydrophobicContact CD1-CB 3.75Å; L91-F109 HydrophobicContact CD1-CD2 4.14Å; L91-F109 HydrophobicContact CD1-CG 4.47Å; L105-F109 VanDerWaalsContact O-CB 3.22Å; L105-F109 WeakPolarHBondContact O-CB 3.34Å; L105-F109 PolarHBondContact O-N 3.46Å; K106-F109 PolarHBondContact O-N 2.77Å; E107-F109 VanDerWaalsContact C-N 3.33Å; E107-F109 PolarHBondContact O-N 2.86Å; F109-M111 VanDerWaalsContact C-N 3.35Å; F109-M111 PolarHBondContact O-N 3.46Å; F109-G112 PolarHBondContact O-N 3Å; F109-L113 HydrophobicContact CE1-CD1 4.14Å; F109-L113 HydrophobicContact CE1-CD2 4.14Å; F109-L113 HydrophobicContact CE1-CG 4.32Å; F109-L113 HydrophobicContact CE2-CD2 4.05Å; F109-L113 HydrophobicContact CZ-CD2 3.8Å; F109-L113 HydrophobicContact CZ-CG 4.46Å; F109-L113 WeakPolarHBondContact O-CG 3.29Å; F109-L113 PolarHBondContact O-N 2.92Å; F109-L113 VanDerWaalsContact O-N 3.08Å; F109-L122 HydrophobicContact CD1-CD1 4.41Å; F109-L122 HydrophobicContact CE1-CD1 4.09Å; F109-F130 HydrophobicContact CB-CD2 4Å; F109-F130 HydrophobicContact CB-CE2 3.55Å; F109-F130 HydrophobicContact CD1-CE2 4.5Å; F109-F130 AromaticContact CD2-CE2 3.86Å; F109-F130 HydrophobicContact CD2-CE2 3.86Å; F109-F130 HydrophobicContact CG-CD2 4.35Å; F109-F130 AromaticContact CG-CE2 3.73Å; F109-F130 HydrophobicContact CG-CE2 3.73Å; F109-A133 HydrophobicContact CD1-CB 4.1Å; F109-A133 HydrophobicContact CE1-CB 4.4Å; F109-V134 HydrophobicContact CD2-CG2 4.34Å; F109-V134 HydrophobicContact CE1-CG2 4.21Å; F109-V134 HydrophobicContact CE2-CG2 3.97Å; F109-V134 HydrophobicContact CZ-CB 4.34Å; F109-V134 HydrophobicContact CZ-CG2 3.9Å; F109-A137 HydrophobicContact CE1-CB 4.03Å; F109-A137 HydrophobicContact CZ-CB 4.09Å
110I98.6Very high97.7Very high17 Ų1756.1 Ų56.19%0.08728%0.275CS..Hα-helixtrans-58.2-48.4179.7-64.4167.6000110.3K106 E107 G112 Q119 L122 L123 P127K106-I110 HydrophobicContact CG-CD1 4.06Å; K106-I110 VanDerWaalsContact O-CG1 3.29Å; K106-I110 WeakPolarHBondContact O-CG1 3.35Å; K106-I110 PolarHBondContact O-N 3.01Å; E107-I110 PolarHBondContact O-N 3.18Å; I110-G112 VanDerWaalsContact C-N 3.32Å; I110-G112 PolarHBondContact O-N 3.37Å; I110-Q119 VanDerWaalsContact O-CG 3.28Å; I110-Q119 WeakPolarHBondContact O-CG 3.36Å; I110-Q119 PolarHBondContact O-NE2 3.33Å; I110-L122 HydrophobicContact CD1-CB 4.32Å; I110-L122 HydrophobicContact CG1-CB 4.05Å; I110-L122 HydrophobicContact CG1-CD1 4.03Å; I110-L122 HydrophobicContact CG2-CB 4.33Å; I110-L123 HydrophobicContact CG2-CD2 3.9Å; I110-L123 HydrophobicContact CG2-CG 4.03Å; I110-P127 HydrophobicContact CD1-CG 4.08Å
111M97.9Very high97.8Very high138 Ų13856.4 Ų56.468%0.6828%0.277SS*.Hα-helixtrans-65.6-34.3179.7-73.5-179.651.800113.1E107 F109 Q119E107-M111 WeakPolarHBondContact O-CB 3.38Å; E107-M111 WeakPolarHBondContact O-CG 3.16Å; E107-M111 PolarHBondContact O-N 3.11Å; F109-M111 VanDerWaalsContact C-N 3.35Å; F109-M111 PolarHBondContact O-N 3.46Å; M111-Q119 PolarHBondContact O-NE2 2.8Å
112G98.3Very high97.9Very high2 Ų250.2 Ų50.22%0.02125%0.248CC..Hα-helixtrans-87.7-9.5-173.300000115.1V77 Q78 Q108 F109 I110V77-G112 CarbonylContact C-O 3.53Å; V77-G112 WeakPolarHBondContact CA-O 3.37Å; V77-G112 WeakPolarHBondContact CB-O 3.4Å; Q78-G112 PolarHBondContact N-O 2.71Å; Q108-G112 WeakPolarHBondContact O-CA 3.47Å; Q108-G112 PolarHBondContact O-N 3.4Å; F109-G112 PolarHBondContact O-N 3Å; I110-G112 VanDerWaalsContact C-N 3.32Å; I110-G112 PolarHBondContact O-N 3.37Å
113L98.6Very high97.9Very high6 Ų652.4 Ų52.43%0.03126%0.259CS..  trans-58.1141.3178.6-77.4177.1000112.4F84 F87 F109 A118 Q119 L122F84-L113 HydrophobicContact CD1-CD2 3.57Å; F84-L113 HydrophobicContact CE1-CD2 3.57Å; F87-L113 HydrophobicContact CD1-CD2 4.01Å; F87-L113 HydrophobicContact CE1-CD2 3.99Å; F87-L113 HydrophobicContact CE1-CG 4.38Å; F109-L113 HydrophobicContact CE1-CD1 4.14Å; F109-L113 HydrophobicContact CE1-CD2 4.14Å; F109-L113 HydrophobicContact CE1-CG 4.32Å; F109-L113 HydrophobicContact CE2-CD2 4.05Å; F109-L113 HydrophobicContact CZ-CD2 3.8Å; F109-L113 HydrophobicContact CZ-CG 4.46Å; F109-L113 WeakPolarHBondContact O-CG 3.29Å; F109-L113 PolarHBondContact O-N 2.92Å; F109-L113 VanDerWaalsContact O-N 3.08Å; L113-A118 HydrophobicContact CD1-CB 4.19Å; L113-Q119 HydrophobicContact CB-CG 3.72Å; L113-Q119 HydrophobicContact CD1-CG 4.44Å; L113-Q119 PolarHBondContact O-NE2 2.93Å; L113-L122 HydrophobicContact CD1-CD1 3.37Å
114Q97.4Very high97.9Very high106 Ų10653.8 Ų53.850%0.49527%0.267SS..SBendtrans-72.8-36.3178-172.4-178.13600112Q78 T116Q78-Q114 HydrophobicContact CB-CB 4.22Å; Q78-Q114 HydrophobicContact CG-CB 4.38Å; Q114-T116 PolarHBondContact O-N 3.33Å
115D95.9Very high97.8Very high49 Ų4957.2 Ų57.226%0.26228%0.28SS..  trans-85.7104.4-177.8-179.4-1.5000111.1A117 A118 Q119D115-A117 PolarHBondContact O-N 3.02Å; D115-A117 WeakPolarHBondContact OD1-CA 3.32Å; D115-A117 VanDerWaalsContact OD1-CB 3.24Å; D115-A117 WeakPolarHBondContact OD1-CB 3.49Å; D115-A117 PolarHBondContact OD1-N 3.36Å; D115-A118 HydrophobicContact CB-CB 3.91Å; D115-A118 WeakPolarHBondContact O-CB 3.28Å; D115-A118 PolarHBondContact O-N 3.39Å; D115-A118 VanDerWaalsContact O-N 3.07Å; D115-A118 PolarHBondContact OD1-N 3.34Å; D115-Q119 WeakPolarHBondContact O-CG 3.45Å; D115-Q119 PolarHBondContact O-N 3Å
116T96Very high97.8Very high67 Ų6765.9 Ų65.941%0.41131%0.311SS..Hα-helixtrans-60.5-26.4177.6-42.40000112.9Q114 R120Q114-T116 PolarHBondContact O-N 3.33Å; T116-R120 WeakPolarHBondContact O-CG 3.27Å; T116-R120 PolarHBondContact O-N 3.04Å
117A96.3Very high97.8Very high30 Ų3065 Ų6525%0.24831%0.308CS..Hα-helixtrans-72.9-38.2176.300000111D115 R120 H121 Y140D115-A117 PolarHBondContact O-N 3.02Å; D115-A117 WeakPolarHBondContact OD1-CA 3.32Å; D115-A117 VanDerWaalsContact OD1-CB 3.24Å; D115-A117 WeakPolarHBondContact OD1-CB 3.49Å; D115-A117 PolarHBondContact OD1-N 3.36Å; A117-R120 PolarHBondContact O-N 3.05Å; A117-H121 WeakPolarHBondContact O-CB 3.3Å; A117-H121 PolarHBondContact O-N 2.78Å; A117-Y140 HydrophobicContact CB-CE1 4.33Å; A117-Y140 WeakPolarHBondContact CB-OH 3.48Å
118A97Very high97.7Very high1 Ų165.7 Ų65.71%0.00832%0.315CS..Hα-helixtrans-64.7-41.3170.300000112L113 D115 R120 H121 L122 Y140L113-A118 HydrophobicContact CD1-CB 4.19Å; D115-A118 HydrophobicContact CB-CB 3.91Å; D115-A118 WeakPolarHBondContact O-CB 3.28Å; D115-A118 PolarHBondContact O-N 3.39Å; D115-A118 VanDerWaalsContact O-N 3.07Å; D115-A118 PolarHBondContact OD1-N 3.34Å; A118-R120 PolarHBondContact O-N 3.39Å; A118-H121 WeakPolarHBondContact O-CB 3.4Å; A118-H121 PolarHBondContact O-N 2.75Å; A118-L122 WeakPolarHBondContact O-CG 3.46Å; A118-L122 PolarHBondContact O-N 3.31Å; A118-Y140 HydrophobicContact CB-CD1 3.66Å; A118-Y140 HydrophobicContact CB-CE1 3.78Å
119Q97.8Very high97.7Very high42 Ų4267 Ų6720%0.19633%0.326CS..Hα-helixtrans-55.6-52.5173.3-65.8-173.1-2300111.7I110 M111 L113 D115 H121 L122 L123I110-Q119 VanDerWaalsContact O-CG 3.28Å; I110-Q119 WeakPolarHBondContact O-CG 3.36Å; I110-Q119 PolarHBondContact O-NE2 3.33Å; M111-Q119 PolarHBondContact O-NE2 2.8Å; L113-Q119 HydrophobicContact CB-CG 3.72Å; L113-Q119 HydrophobicContact CD1-CG 4.44Å; L113-Q119 PolarHBondContact O-NE2 2.93Å; D115-Q119 WeakPolarHBondContact O-CG 3.45Å; D115-Q119 PolarHBondContact O-N 3Å; Q119-H121 VanDerWaalsContact C-N 3.27Å; Q119-H121 PolarHBondContact O-N 3.37Å; Q119-L122 PolarHBondContact O-N 3.07Å; Q119-L123 WeakPolarHBondContact O-CG 3.33Å; Q119-L123 PolarHBondContact O-N 2.85Å
120R98.2Very high97.7Very high167 Ų16767 Ų6763%0.6333%0.326SS*.Hα-helixtrans-58.9-40.9178-72.7178.8-170.1118-0.4111.7T116 A117 A118 L122 L123 D124T116-R120 WeakPolarHBondContact O-CG 3.27Å; T116-R120 PolarHBondContact O-N 3.04Å; A117-R120 PolarHBondContact O-N 3.05Å; A118-R120 PolarHBondContact O-N 3.39Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 2.98Å; R120-L123 PolarHBondContact O-N 3.49Å; R120-D124 PolarHBondContact O-N 2.8Å
121H97.9Very high97.7Very high53 Ų5370.7 Ų70.725%0.24535%0.346CS..Hα-helixtrans-61.7-42.1177.7-170.467000112.1A117 A118 Q119 D124 K125 Y140A117-H121 WeakPolarHBondContact O-CB 3.3Å; A117-H121 PolarHBondContact O-N 2.78Å; A118-H121 WeakPolarHBondContact O-CB 3.4Å; A118-H121 PolarHBondContact O-N 2.75Å; Q119-H121 VanDerWaalsContact C-N 3.27Å; Q119-H121 PolarHBondContact O-N 3.37Å; H121-D124 PolarHBondContact O-N 3.2Å; H121-K125 WeakPolarHBondContact O-CB 3.47Å; H121-K125 VanDerWaalsContact O-CG 3.26Å; H121-K125 WeakPolarHBondContact O-CG 3.49Å; H121-K125 PolarHBondContact O-N 3.35Å; H121-Y140 HydrophobicContact CB-CD2 3.78Å; H121-Y140 HydrophobicContact CB-CE2 3.92Å; H121-Y140 HydrophobicContact CB-CG 4.24Å; H121-Y140 AromaticContact CD2-CD2 3.53Å; H121-Y140 AromaticContact CD2-CG 3.87Å; H121-Y140 AromaticContact CG-CD2 3.43Å; H121-Y140 VanDerWaalsContact CG-CD2 3.43Å; H121-Y140 AromaticContact CG-CE2 3.92Å; H121-Y140 AromaticContact ND1-CD2 3.85Å; H121-Y140 AromaticContact NE2-CD2 3.98Å
122L98.7Very high97.8Very high0 Ų067.6 Ų67.60%033%0.329CS..Hα-helixtrans-67.5-40.7176.8-72.7165000112.7F109 I110 L113 A118 Q119 R120 D124 K125 R126 P127 A133 I136 A137F109-L122 HydrophobicContact CD1-CD1 4.41Å; F109-L122 HydrophobicContact CE1-CD1 4.09Å; I110-L122 HydrophobicContact CD1-CB 4.32Å; I110-L122 HydrophobicContact CG1-CB 4.05Å; I110-L122 HydrophobicContact CG1-CD1 4.03Å; I110-L122 HydrophobicContact CG2-CB 4.33Å; L113-L122 HydrophobicContact CD1-CD1 3.37Å; A118-L122 WeakPolarHBondContact O-CG 3.46Å; A118-L122 PolarHBondContact O-N 3.31Å; Q119-L122 PolarHBondContact O-N 3.07Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 2.98Å; L122-D124 VanDerWaalsContact C-N 3.29Å; L122-D124 PolarHBondContact O-N 3Å; L122-K125 PolarHBondContact O-N 3.42Å; L122-R126 PolarHBondContact O-N 3.28Å; L122-P127 HydrophobicContact CD2-CG 4.34Å; L122-P127 VanDerWaalsContact O-CD 3.24Å; L122-P127 WeakPolarHBondContact O-CD 3.38Å; L122-A133 HydrophobicContact CD2-CB 4.22Å; L122-A133 VanDerWaalsContact CD2-O 3.29Å; L122-A133 WeakPolarHBondContact CD2-O 3.41Å; L122-I136 HydrophobicContact CD2-CB 3.69Å; L122-I136 HydrophobicContact CD2-CG2 3.56Å; L122-I136 HydrophobicContact CG-CG2 4.47Å; L122-A137 HydrophobicContact CD1-CB 4.24Å
123L97.7Very high97.8Very high111 Ų11167.5 Ų67.558%0.58133%0.329SS*.Hα-helixtrans-62.9-36.1176.6-69.3173.1000112.4I110 Q119 R120 R126I110-L123 HydrophobicContact CG2-CD2 3.9Å; I110-L123 HydrophobicContact CG2-CG 4.03Å; Q119-L123 WeakPolarHBondContact O-CG 3.33Å; Q119-L123 PolarHBondContact O-N 2.85Å; R120-L123 PolarHBondContact O-N 3.49Å; L123-R126 VanDerWaalsContact O-CG 3.27Å; L123-R126 WeakPolarHBondContact O-CG 3.24Å
124D98Very high97.8Very high120 Ų12067.6 Ų67.664%0.64233%0.329SS*.Hα-helixtrans-69.6-44.5173.8-178.265.4000111.8R120 H121 L122 R126R120-D124 PolarHBondContact O-N 2.8Å; H121-D124 PolarHBondContact O-N 3.2Å; L122-D124 VanDerWaalsContact C-N 3.29Å; L122-D124 PolarHBondContact O-N 3Å; D124-R126 PolarHBondContact O-N 3.04Å
125K97.6Very high97.9Very high117 Ų11766.9 Ų66.951%0.50933%0.326SS..Hα-helixtrans-73.2-24.4-178.1-70.6-67.2179.6-171.50114.7H121 L122 I136H121-K125 WeakPolarHBondContact O-CB 3.47Å; H121-K125 VanDerWaalsContact O-CG 3.26Å; H121-K125 WeakPolarHBondContact O-CG 3.49Å; H121-K125 PolarHBondContact O-N 3.35Å; L122-K125 PolarHBondContact O-N 3.42Å; K125-I136 HydrophobicContact CB-CD1 4.11Å; K125-I136 HydrophobicContact CB-CG2 4.34Å; K125-I136 HydrophobicContact CG-CG2 4.2Å
126R97.3Very high98Very high201 Ų20165.5 Ų65.576%0.75832%0.318SS*.  trans50.269.3178-58.4179-174.3-179.51112.1L122 L123 D124 D128L122-R126 PolarHBondContact O-N 3.28Å; L123-R126 VanDerWaalsContact O-CG 3.27Å; L123-R126 WeakPolarHBondContact O-CG 3.24Å; D124-R126 PolarHBondContact O-N 3.04Å; R126-D128 PolarHBondContact O-N 3.23Å
127P98Very high98.1Very high10 Ų1062.3 Ų62.37%0.06530%0.299CS..  trans-57.5139.4176.623.1-31.6000111.5K106 I110 L122 Q132 A133 I136K106-P127 HydrophobicContact CD-CB 4.46Å; K106-P127 HydrophobicContact CD-CG 4.21Å; K106-P127 WeakPolarHBondContact CD-O 3.22Å; K106-P127 HydrophobicContact CG-CG 4.4Å; I110-P127 HydrophobicContact CD1-CG 4.08Å; L122-P127 HydrophobicContact CD2-CG 4.34Å; L122-P127 VanDerWaalsContact O-CD 3.24Å; L122-P127 WeakPolarHBondContact O-CD 3.38Å; P127-Q132 HydrophobicContact CB-CB 4.15Å; P127-Q132 HydrophobicContact CB-CG 4.26Å; P127-A133 HydrophobicContact CB-CB 3.9Å; P127-A133 HydrophobicContact CG-CB 3.61Å; P127-I136 HydrophobicContact CB-CD1 4.16Å
128D97.8Very high98.2Very high130 Ų13064.5 Ų64.570%0.69530%0.303SS*.SBendtrans-72.9-34.4175.9-61.1-49.3000111K106 R126K106-D128 PolarHBondContact NZ-O 2.82Å; R126-D128 PolarHBondContact O-N 3.23Å
129S98.6Very high98.2Very high39 Ų3969.7 Ų69.727%0.27333%0.327SS..SBendtrans-132.9165.2-17972.50000114.5D102 Q132 A133D102-S129 WeakPolarHBondContact OD2-CA 3.31Å; D102-S129 WeakPolarHBondContact OD2-CB 3.44Å; S129-Q132 PolarHBondContact O-N 2.98Å; S129-Q132 WeakPolarHBondContact OG-CB 3.08Å; S129-Q132 PolarHBondContact OG-N 3.23Å; S129-A133 PolarHBondContact O-N 3.49Å
130F98.7Very high98.2Very high2 Ų269.9 Ų69.91%0.00933%0.326CS..Hα-helixtrans-59.1-46.8174.6174.6-132000112.3A88 L91 R92 D102 L105 K106 F109 Q132 A133 V134A88-F130 HydrophobicContact CB-CE1 4.42Å; A88-F130 HydrophobicContact CB-CE2 4.28Å; A88-F130 HydrophobicContact CB-CZ 3.64Å; L91-F130 HydrophobicContact CB-CZ 4.42Å; R92-F130 HydrophobicContact CG-CD1 4.5Å; R92-F130 HydrophobicContact CG-CE1 3.65Å; R92-F130 HydrophobicContact CG-CZ 4.49Å; D102-F130 VanDerWaalsContact OD1-CB 3.3Å; D102-F130 WeakPolarHBondContact OD1-CB 3.44Å; D102-F130 PolarHBondContact OD1-N 3.49Å; D102-F130 PolarHBondContact OD2-N 2.93Å; L105-F130 HydrophobicContact CB-CB 4.05Å; L105-F130 HydrophobicContact CB-CD1 3.72Å; L105-F130 HydrophobicContact CB-CD2 3.98Å; L105-F130 HydrophobicContact CB-CE1 4.1Å; L105-F130 HydrophobicContact CB-CE2 4.36Å; L105-F130 HydrophobicContact CB-CG 3.63Å; L105-F130 HydrophobicContact CB-CZ 4.39Å; L105-F130 HydrophobicContact CD1-CD1 3.76Å; L105-F130 HydrophobicContact CD1-CE1 4.04Å; L105-F130 HydrophobicContact CD1-CG 4.47Å; L105-F130 HydrophobicContact CG-CD1 4.38Å; K106-F130 HydrophobicContact CB-CB 4.09Å; F109-F130 HydrophobicContact CB-CD2 4Å; F109-F130 HydrophobicContact CB-CE2 3.55Å; F109-F130 HydrophobicContact CD1-CE2 4.5Å; F109-F130 AromaticContact CD2-CE2 3.86Å; F109-F130 HydrophobicContact CD2-CE2 3.86Å; F109-F130 HydrophobicContact CG-CD2 4.35Å; F109-F130 AromaticContact CG-CE2 3.73Å; F109-F130 HydrophobicContact CG-CE2 3.73Å; F130-Q132 VanDerWaalsContact C-N 3.28Å; F130-Q132 PolarHBondContact O-N 3.45Å; F130-A133 WeakPolarHBondContact O-CA 3.29Å; F130-A133 VanDerWaalsContact O-CB 3.32Å; F130-A133 WeakPolarHBondContact O-CB 3.43Å; F130-A133 PolarHBondContact O-N 3.18Å; F130-V134 HydrophobicContact CD2-CG2 4.16Å; F130-V134 HydrophobicContact CE2-CG2 3.73Å; F130-V134 HydrophobicContact CZ-CG2 4.07Å; F130-V134 WeakPolarHBondContact O-CG2 3.49Å; F130-V134 PolarHBondContact O-N 2.97Å
131D98.6Very high98.1Very high94 Ų9467.3 Ų67.350%0.50332%0.317SS..Hα-helixtrans-61.3-37.4178.1-75.1-19.2000112.1R92 A133 V134 Q135R92-D131 IonicContact CZ-OD1 3.06Å; R92-D131 IonicContact NH2-OD1 3.57Å; R92-D131 PolarHBondContact NH2-OD1 3.05Å; D131-A133 VanDerWaalsContact C-N 3.35Å; D131-V134 PolarHBondContact O-N 3.37Å; D131-Q135 WeakPolarHBondContact O-CB 3.24Å; D131-Q135 PolarHBondContact O-N 2.97Å
132Q98.7Very high98Very high72 Ų7267.5 Ų67.534%0.33633%0.327SS..Hα-helixtrans-66.7-37.6174.7-166.6-174.517.300111.5P127 S129 F130 Q135 I136P127-Q132 HydrophobicContact CB-CB 4.15Å; P127-Q132 HydrophobicContact CB-CG 4.26Å; S129-Q132 PolarHBondContact O-N 2.98Å; S129-Q132 WeakPolarHBondContact OG-CB 3.08Å; S129-Q132 PolarHBondContact OG-N 3.23Å; F130-Q132 VanDerWaalsContact C-N 3.28Å; F130-Q132 PolarHBondContact O-N 3.45Å; Q132-Q135 PolarHBondContact O-N 2.86Å; Q132-I136 HydrophobicContact CG-CD1 3.96Å; Q132-I136 HydrophobicContact CG-CG1 4.42Å; Q132-I136 WeakPolarHBondContact O-CB 3.28Å; Q132-I136 VanDerWaalsContact O-CG1 3.28Å; Q132-I136 WeakPolarHBondContact O-CG1 3.48Å; Q132-I136 PolarHBondContact O-N 3.29Å
133A98.8Very high97.9Very high0 Ų070 Ų700%035%0.348CS..Hα-helixtrans-61.1-45174.600000111.7K106 F109 L122 P127 S129 F130 D131 Q135 I136 A137K106-A133 HydrophobicContact CG-CB 4.23Å; F109-A133 HydrophobicContact CD1-CB 4.1Å; F109-A133 HydrophobicContact CE1-CB 4.4Å; L122-A133 HydrophobicContact CD2-CB 4.22Å; L122-A133 VanDerWaalsContact CD2-O 3.29Å; L122-A133 WeakPolarHBondContact CD2-O 3.41Å; P127-A133 HydrophobicContact CB-CB 3.9Å; P127-A133 HydrophobicContact CG-CB 3.61Å; S129-A133 PolarHBondContact O-N 3.49Å; F130-A133 WeakPolarHBondContact O-CA 3.29Å; F130-A133 VanDerWaalsContact O-CB 3.32Å; F130-A133 WeakPolarHBondContact O-CB 3.43Å; F130-A133 PolarHBondContact O-N 3.18Å; D131-A133 VanDerWaalsContact C-N 3.35Å; A133-Q135 VanDerWaalsContact C-N 3.34Å; A133-Q135 PolarHBondContact O-N 3.42Å; A133-I136 PolarHBondContact O-N 3.43Å; A133-A137 WeakPolarHBondContact O-CB 3.42Å; A133-A137 PolarHBondContact O-N 2.98Å
134V98.8Very high97.8Very high8 Ų867.3 Ų67.35%0.04833%0.332CS..Hα-helixtrans-60.8-45175.6179.30000110.6A88 F109 F130 D131 A137 K138A88-V134 HydrophobicContact CB-CG1 4.32Å; A88-V134 HydrophobicContact CB-CG2 3.63Å; F109-V134 HydrophobicContact CD2-CG2 4.34Å; F109-V134 HydrophobicContact CE1-CG2 4.21Å; F109-V134 HydrophobicContact CE2-CG2 3.97Å; F109-V134 HydrophobicContact CZ-CB 4.34Å; F109-V134 HydrophobicContact CZ-CG2 3.9Å; F130-V134 HydrophobicContact CD2-CG2 4.16Å; F130-V134 HydrophobicContact CE2-CG2 3.73Å; F130-V134 HydrophobicContact CZ-CG2 4.07Å; F130-V134 WeakPolarHBondContact O-CG2 3.49Å; F130-V134 PolarHBondContact O-N 2.97Å; D131-V134 PolarHBondContact O-N 3.37Å; V134-A137 PolarHBondContact O-N 3Å; V134-K138 HydrophobicContact CG1-CD 4.08Å; V134-K138 WeakPolarHBondContact O-CG 3.37Å; V134-K138 PolarHBondContact O-N 3Å
135Q98.7Very high97.6Very high92 Ų9263.4 Ų63.443%0.4332%0.317SS..Hα-helixtrans-64.3-43.2-180-178.15630.400112.7D131 Q132 A133 K138 Q139D131-Q135 WeakPolarHBondContact O-CB 3.24Å; D131-Q135 PolarHBondContact O-N 2.97Å; Q132-Q135 PolarHBondContact O-N 2.86Å; A133-Q135 VanDerWaalsContact C-N 3.34Å; A133-Q135 PolarHBondContact O-N 3.42Å; Q135-K138 PolarHBondContact O-N 3.41Å; Q135-Q139 VanDerWaalsContact NE2-NE2 3.19Å; Q135-Q139 WeakPolarHBondContact O-CG 3.47Å; Q135-Q139 PolarHBondContact O-N 3.32Å
136I98.7Very high97.5Very high19 Ų1961 Ų6110%0.09732%0.315CS..Hα-helixtrans-64.3-41.1176.7-69.3169.3000110.5L122 K125 P127 Q132 A133 K138 Q139 Y140L122-I136 HydrophobicContact CD2-CB 3.69Å; L122-I136 HydrophobicContact CD2-CG2 3.56Å; L122-I136 HydrophobicContact CG-CG2 4.47Å; K125-I136 HydrophobicContact CB-CD1 4.11Å; K125-I136 HydrophobicContact CB-CG2 4.34Å; K125-I136 HydrophobicContact CG-CG2 4.2Å; P127-I136 HydrophobicContact CB-CD1 4.16Å; Q132-I136 HydrophobicContact CG-CD1 3.96Å; Q132-I136 HydrophobicContact CG-CG1 4.42Å; Q132-I136 WeakPolarHBondContact O-CB 3.28Å; Q132-I136 VanDerWaalsContact O-CG1 3.28Å; Q132-I136 WeakPolarHBondContact O-CG1 3.48Å; Q132-I136 PolarHBondContact O-N 3.29Å; A133-I136 PolarHBondContact O-N 3.43Å; I136-K138 VanDerWaalsContact C-N 3.33Å; I136-K138 PolarHBondContact O-N 2.89Å; I136-Q139 PolarHBondContact O-N 3.47Å; I136-Y140 WeakPolarHBondContact O-CB 3.27Å; I136-Y140 PolarHBondContact O-N 3.3Å
137A98.5Very high97.4Very high1 Ų154.6 Ų54.61%0.00830%0.298CS..Hα-helixtrans-59.8-43.317600000111.9F84 F109 L122 A133 V134 Y140 R141F84-A137 HydrophobicContact CD2-CB 3.99Å; F84-A137 HydrophobicContact CE2-CB 4.01Å; F84-A137 VanDerWaalsContact CE2-O 3.27Å; F84-A137 WeakPolarHBondContact CE2-O 3.34Å; F84-A137 HydrophobicContact CG-CB 4.25Å; F84-A137 HydrophobicContact CZ-CB 4.33Å; F109-A137 HydrophobicContact CE1-CB 4.03Å; F109-A137 HydrophobicContact CZ-CB 4.09Å; L122-A137 HydrophobicContact CD1-CB 4.24Å; A133-A137 WeakPolarHBondContact O-CB 3.42Å; A133-A137 PolarHBondContact O-N 2.98Å; V134-A137 PolarHBondContact O-N 3Å; A137-Y140 WeakPolarHBondContact O-CB 3.26Å; A137-Y140 PolarHBondContact O-N 3.35Å; A137-R141 PolarHBondContact O-N 2.98Å
138K98.1Very high97.3Very high76 Ų7659.7 Ų59.733%0.3332%0.321SS..Hα-helixtrans-63.6-44.3176.7-70.4171.273.2160.10111.8F84 D85 V134 Q135 I136 Y140 R141 A142F84-K138 HydrophobicContact CB-CG 4.3Å; F84-K138 HydrophobicContact CD2-CG 3.96Å; D85-K138 IonicContact OD1-NZ 3.93Å; D85-K138 PolarHBondContact OD1-NZ 3.01Å; D85-K138 WeakPolarHBondContact OD2-CE 3.49Å; D85-K138 IonicContact OD2-NZ 3.77Å; D85-K138 PolarHBondContact OD2-NZ 3.49Å; V134-K138 HydrophobicContact CG1-CD 4.08Å; V134-K138 WeakPolarHBondContact O-CG 3.37Å; V134-K138 PolarHBondContact O-N 3Å; Q135-K138 PolarHBondContact O-N 3.41Å; I136-K138 VanDerWaalsContact C-N 3.33Å; I136-K138 PolarHBondContact O-N 2.89Å; K138-Y140 VanDerWaalsContact C-N 3.33Å; K138-Y140 PolarHBondContact O-N 3.43Å; K138-R141 PolarHBondContact O-N 3.49Å; K138-A142 WeakPolarHBondContact O-CB 3.36Å; K138-A142 PolarHBondContact O-N 3.05Å
139Q97.9Very high97.2Very high109 Ų10957.8 Ų57.851%0.50931%0.311SS..Hα-helixtrans-62-41.6175.7-73.1171.6-9.900111.8Q135 I136 A142 A143Q135-Q139 VanDerWaalsContact NE2-NE2 3.19Å; Q135-Q139 WeakPolarHBondContact O-CG 3.47Å; Q135-Q139 PolarHBondContact O-N 3.32Å; I136-Q139 PolarHBondContact O-N 3.47Å; Q139-A142 PolarHBondContact O-N 2.99Å; Q139-A143 WeakPolarHBondContact O-CB 3.47Å; Q139-A143 PolarHBondContact O-N 3.37Å
140Y97.3Very high97.1Very high46 Ų4661.7 Ų61.718%0.1833%0.326CS..Hα-helixtrans-59.7-50.9176.4177.6-102000111.9A117 A118 H121 I136 A137 K138 A142 A143 Q144A117-Y140 HydrophobicContact CB-CE1 4.33Å; A117-Y140 WeakPolarHBondContact CB-OH 3.48Å; A118-Y140 HydrophobicContact CB-CD1 3.66Å; A118-Y140 HydrophobicContact CB-CE1 3.78Å; H121-Y140 HydrophobicContact CB-CD2 3.78Å; H121-Y140 HydrophobicContact CB-CE2 3.92Å; H121-Y140 HydrophobicContact CB-CG 4.24Å; H121-Y140 AromaticContact CD2-CD2 3.53Å; H121-Y140 AromaticContact CD2-CG 3.87Å; H121-Y140 AromaticContact CG-CD2 3.43Å; H121-Y140 VanDerWaalsContact CG-CD2 3.43Å; H121-Y140 AromaticContact CG-CE2 3.92Å; H121-Y140 AromaticContact ND1-CD2 3.85Å; H121-Y140 AromaticContact NE2-CD2 3.98Å; I136-Y140 WeakPolarHBondContact O-CB 3.27Å; I136-Y140 PolarHBondContact O-N 3.3Å; A137-Y140 WeakPolarHBondContact O-CB 3.26Å; A137-Y140 PolarHBondContact O-N 3.35Å; K138-Y140 VanDerWaalsContact C-N 3.33Å; K138-Y140 PolarHBondContact O-N 3.43Å; Y140-A142 VanDerWaalsContact C-N 3.33Å; Y140-A142 PolarHBondContact O-N 2.93Å; Y140-A143 WeakPolarHBondContact O-CB 3.41Å; Y140-A143 PolarHBondContact O-N 3.34Å; Y140-Q144 HydrophobicContact CD1-CG 4.43Å; Y140-Q144 HydrophobicContact CE1-CG 3.99Å; Y140-Q144 HydrophobicContact CE2-CG 4.36Å; Y140-Q144 VanDerWaalsContact CZ-CD 3.49Å; Y140-Q144 VanDerWaalsContact CZ-NE2 3.32Å; Y140-Q144 PolarHBondContact O-N 2.91Å; Y140-Q144 PolarHBondContact OH-NE2 2.99Å
141R95.8Very high96.9Very high114 Ų11467 Ų6743%0.4335%0.351SS..Hα-helixtrans-61.5-40.6177.2178.8-174.5-83.2-163.8-1.6111.9F84 A137 K138 A143 Q144 A145F84-R141 HydrophobicContact CE2-CB 3.71Å; F84-R141 HydrophobicContact CE2-CG 4.39Å; F84-R141 HydrophobicContact CZ-CB 4.36Å; A137-R141 PolarHBondContact O-N 2.98Å; K138-R141 PolarHBondContact O-N 3.49Å; R141-A143 VanDerWaalsContact C-N 3.32Å; R141-A143 PolarHBondContact O-N 3.18Å; R141-Q144 PolarHBondContact O-N 3.47Å; R141-A145 WeakPolarHBondContact O-CB 3.42Å; R141-A145 PolarHBondContact O-N 3.45Å
142A96.1Very high96.6Very high56 Ų5670.7 Ų70.746%0.46336%0.358SS..Hα-helixtrans-63.4-38.8176.400000112.3K138 Q139 Y140 S146K138-A142 WeakPolarHBondContact O-CB 3.36Å; K138-A142 PolarHBondContact O-N 3.05Å; Q139-A142 PolarHBondContact O-N 2.99Å; Y140-A142 VanDerWaalsContact C-N 3.33Å; Y140-A142 PolarHBondContact O-N 2.93Å; A142-S146 WeakPolarHBondContact O-CB 3.48Å; A142-S146 PolarHBondContact O-N 2.95Å; A142-S146 PolarHBondContact O-OG 3.01Å
143A95.8Very high96.4Very high54 Ų5476 Ų7645%0.44638%0.375SS..Hα-helixtrans-66-45175.300000111.5Q139 Y140 R141 S146 V147Q139-A143 WeakPolarHBondContact O-CB 3.47Å; Q139-A143 PolarHBondContact O-N 3.37Å; Y140-A143 WeakPolarHBondContact O-CB 3.41Å; Y140-A143 PolarHBondContact O-N 3.34Å; R141-A143 VanDerWaalsContact C-N 3.32Å; R141-A143 PolarHBondContact O-N 3.18Å; A143-S146 WeakPolarHBondContact O-CB 3.48Å; A143-S146 PolarHBondContact O-N 3.26Å; A143-V147 WeakPolarHBondContact O-CG2 3.34Å; A143-V147 PolarHBondContact O-N 2.85Å
144Q95.2Very high96Very high53 Ų5384.7 Ų84.725%0.24841%0.407CS..Hα-helixtrans-57.4-51.1175-74.4179.2-51.100111.6Y140 R141 S146 V147 E148Y140-Q144 HydrophobicContact CD1-CG 4.43Å; Y140-Q144 HydrophobicContact CE1-CG 3.99Å; Y140-Q144 HydrophobicContact CE2-CG 4.36Å; Y140-Q144 VanDerWaalsContact CZ-CD 3.49Å; Y140-Q144 VanDerWaalsContact CZ-NE2 3.32Å; Y140-Q144 PolarHBondContact O-N 2.91Å; Y140-Q144 PolarHBondContact OH-NE2 2.99Å; R141-Q144 PolarHBondContact O-N 3.47Å; Q144-S146 PolarHBondContact O-N 3.23Å; Q144-V147 PolarHBondContact O-N 2.85Å; Q144-E148 WeakPolarHBondContact O-CG 3.37Å; Q144-E148 PolarHBondContact O-N 3.19Å
145A94.4Very high95.6Very high39 Ų3992.8 Ų92.832%0.32244%0.437SS..Hα-helixtrans-58.7-37.8178.600000112.2R141 N149R141-A145 WeakPolarHBondContact O-CB 3.42Å; R141-A145 PolarHBondContact O-N 3.45Å; A145-N149 WeakPolarHBondContact O-CB 3.37Å; A145-N149 VanDerWaalsContact O-CG 3.22Å; A145-N149 PolarHBondContact O-N 2.85Å; A145-N149 PolarHBondContact O-ND2 3.06Å
146S96.2Very high95.2Very high65 Ų6593.4 Ų93.446%0.45544%0.443SS..Hα-helixtrans-65.2-43.8175.2-59.70000111.9A142 A143 Q144 N149 M150A142-S146 WeakPolarHBondContact O-CB 3.48Å; A142-S146 PolarHBondContact O-N 2.95Å; A142-S146 PolarHBondContact O-OG 3.01Å; A143-S146 WeakPolarHBondContact O-CB 3.48Å; A143-S146 PolarHBondContact O-N 3.26Å; Q144-S146 PolarHBondContact O-N 3.23Å; S146-N149 PolarHBondContact O-N 3.06Å; S146-M150 WeakPolarHBondContact O-CG 3.35Å; S146-M150 PolarHBondContact O-N 3.04Å
147V95.6Very high94.6Very high67 Ų6799.2 Ų99.241%0.40647%0.472SS..Hα-helixtrans-64.3-45.5177172.10000111.4A143 Q144 N149 M150 Q151A143-V147 WeakPolarHBondContact O-CG2 3.34Å; A143-V147 PolarHBondContact O-N 2.85Å; Q144-V147 PolarHBondContact O-N 2.85Å; V147-N149 VanDerWaalsContact C-N 3.31Å; V147-N149 PolarHBondContact O-N 2.89Å; V147-M150 HydrophobicContact CG2-CE 4.06Å; V147-M150 PolarHBondContact O-N 3.34Å; V147-Q151 HydrophobicContact CG1-CG 4.37Å; V147-Q151 WeakPolarHBondContact O-CG 3.49Å; V147-Q151 PolarHBondContact O-N 2.98Å
148E95.3Very high94Very high118 Ų118104.1 Ų104.155%0.55150%0.501SS*.Hα-helixtrans-59-43.4176.4-72.6172.3-175.400111.6Q144 Q151 R152Q144-E148 WeakPolarHBondContact O-CG 3.37Å; Q144-E148 PolarHBondContact O-N 3.19Å; E148-Q151 PolarHBondContact O-N 3.41Å; E148-R152 WeakPolarHBondContact O-CB 3.42Å; E148-R152 PolarHBondContact O-N 3.41Å
149N95.8Very high93.2Very high89 Ų89104.2 Ų104.248%0.47651%0.508SS..Hα-helixtrans-63.3-42.5175.5-77.7-34.9000112.4A145 S146 V147 R152 R153A145-N149 WeakPolarHBondContact O-CB 3.37Å; A145-N149 VanDerWaalsContact O-CG 3.22Å; A145-N149 PolarHBondContact O-N 2.85Å; A145-N149 PolarHBondContact O-ND2 3.06Å; S146-N149 PolarHBondContact O-N 3.06Å; V147-N149 VanDerWaalsContact C-N 3.31Å; V147-N149 PolarHBondContact O-N 2.89Å; N149-R152 PolarHBondContact O-N 3.31Å; N149-R153 WeakPolarHBondContact O-CG 3.33Å; N149-R153 PolarHBondContact O-N 3.43Å
150M95.4Very high91.8Very high122 Ų122101.6 Ų101.660%0.60151%0.51SS*.Hα-helixtrans-61.9-44.3175.1-74.3-172.5-76.600111.6S146 V147 R153 R154S146-M150 WeakPolarHBondContact O-CG 3.35Å; S146-M150 PolarHBondContact O-N 3.04Å; V147-M150 HydrophobicContact CG2-CE 4.06Å; V147-M150 PolarHBondContact O-N 3.34Å; M150-R153 PolarHBondContact O-N 3.36Å; M150-R154 WeakPolarHBondContact O-CB 3.37Å; M150-R154 PolarHBondContact O-N 2.95Å
151Q94.7Very high89.9Confident113 Ų113102.2 Ų102.253%0.52853%0.531SS..Hα-helixtrans-64.8-41.6177.8-71.21770.400111.9V147 E148 R154 R155V147-Q151 HydrophobicContact CG1-CG 4.37Å; V147-Q151 WeakPolarHBondContact O-CG 3.49Å; V147-Q151 PolarHBondContact O-N 2.98Å; E148-Q151 PolarHBondContact O-N 3.41Å; Q151-R154 PolarHBondContact O-N 3.1Å; Q151-R155 WeakPolarHBondContact O-CB 3.49Å; Q151-R155 PolarHBondContact O-N 2.99Å
152R93.7Very high88Confident172 Ų172101.5 Ų101.565%0.64954%0.542SS*.Hα-helixtrans-61-46.9175.9-173.3179.1-178.7-167.30.9111.4E148 N149 R155 L156E148-R152 WeakPolarHBondContact O-CB 3.42Å; E148-R152 PolarHBondContact O-N 3.41Å; N149-R152 PolarHBondContact O-N 3.31Å; R152-R155 PolarHBondContact O-N 3.39Å; R152-L156 WeakPolarHBondContact O-CG 3.46Å; R152-L156 PolarHBondContact O-N 2.94Å; R152-L156 VanDerWaalsContact O-N 3.1Å
153R93Very high85.9Confident183 Ų183106.5 Ų106.569%0.69156%0.555SS**Hα-helixtrans-61.1-45176.2-73.7178.9-178.4-165.91.1111.9N149 M150 R155 L156 M157N149-R153 WeakPolarHBondContact O-CG 3.33Å; N149-R153 PolarHBondContact O-N 3.43Å; M150-R153 PolarHBondContact O-N 3.36Å; R153-R155 VanDerWaalsContact C-N 3.33Å; R153-R155 PolarHBondContact O-N 3.48Å; R153-L156 PolarHBondContact O-N 3.14Å; R153-M157 WeakPolarHBondContact O-CG 3.37Å; R153-M157 PolarHBondContact O-N 2.97Å; R153-M157 VanDerWaalsContact O-N 3.09Å
154R91.3Very high83.4Confident182 Ų182115 Ų11569%0.68759%0.593SS**Hα-helixtrans-59.7-42.7176.7-173.2177.1179.9-177.20.1111.9M150 Q151 M157 V158M150-R154 WeakPolarHBondContact O-CB 3.37Å; M150-R154 PolarHBondContact O-N 2.95Å; Q151-R154 PolarHBondContact O-N 3.1Å; R154-M157 PolarHBondContact O-N 3.42Å; R154-V158 WeakPolarHBondContact O-CG2 3.49Å; R154-V158 PolarHBondContact O-N 3.41Å; R154-V158 VanDerWaalsContact O-N 3.15Å
155R90.3Very high82.8Confident178 Ų178118.1 Ų118.167%0.67261%0.611SS**Hα-helixtrans-61.8-44.7177.8-168.7-179.4-62.1171.31.8111.8Q151 R152 R153 M157 V158 T159Q151-R155 WeakPolarHBondContact O-CB 3.49Å; Q151-R155 PolarHBondContact O-N 2.99Å; R152-R155 PolarHBondContact O-N 3.39Å; R153-R155 VanDerWaalsContact C-N 3.33Å; R153-R155 PolarHBondContact O-N 3.48Å; R155-M157 VanDerWaalsContact C-N 3.34Å; R155-M157 PolarHBondContact O-N 2.81Å; R155-V158 PolarHBondContact O-N 3.38Å; R155-T159 WeakPolarHBondContact O-CG2 3.4Å; R155-T159 PolarHBondContact O-N 3.45Å; R155-T159 PolarHBondContact O-OG1 3.35Å; R155-T159 VanDerWaalsContact O-OG1 3.14Å
156L90.4Very high82.2Confident106 Ų106122.2 Ų122.256%0.55563%0.626SS**Hα-helixtrans-62.6-38.1177.9-69.6170.3000112.7R152 R153 T159 G160R152-L156 WeakPolarHBondContact O-CG 3.46Å; R152-L156 PolarHBondContact O-N 2.94Å; R152-L156 VanDerWaalsContact O-N 3.1Å; R153-L156 PolarHBondContact O-N 3.14Å; L156-T159 PolarHBondContact O-OG1 3.15Å; L156-G160 WeakPolarHBondContact O-CA 3.45Å; L156-G160 PolarHBondContact O-N 3.43Å
157M86.5Confident81.4Confident141 Ų141125.4 Ų125.470%0.69564%0.635SS**Hα-helixtrans-65.7-38.3175.4-69.5-173.6-69.500112.1R153 R154 R155 G161R153-M157 WeakPolarHBondContact O-CG 3.37Å; R153-M157 PolarHBondContact O-N 2.97Å; R153-M157 VanDerWaalsContact O-N 3.09Å; R154-M157 PolarHBondContact O-N 3.42Å; R155-M157 VanDerWaalsContact C-N 3.34Å; R155-M157 PolarHBondContact O-N 2.81Å; M157-G161 PolarHBondContact O-N 3.22Å
158V85.5Confident80.6Confident104 Ų104128.8 Ų128.863%0.6365%0.649SS**Hα-helixtrans-70.3-39.9177.9174.20000111.6R154 R155R154-V158 WeakPolarHBondContact O-CG2 3.49Å; R154-V158 PolarHBondContact O-N 3.41Å; R154-V158 VanDerWaalsContact O-N 3.15Å; R155-V158 PolarHBondContact O-N 3.38Å
159T81.7Confident79.7Confident78 Ų78129.5 Ų129.548%0.47966%0.655SS.*Hα-helixtrans-82.4-32.3-178.957.40000113.4R155 L156 G161 C162R155-T159 WeakPolarHBondContact O-CG2 3.4Å; R155-T159 PolarHBondContact O-N 3.45Å; R155-T159 PolarHBondContact O-OG1 3.35Å; R155-T159 VanDerWaalsContact O-OG1 3.14Å; L156-T159 PolarHBondContact O-OG1 3.15Å; T159-G161 VanDerWaalsContact C-N 3.28Å; T159-G161 PolarHBondContact O-N 3.09Å; T159-C162 PolarHBondContact O-N 3.3Å
160G68Low78.6Confident53 Ų53132.2 Ų132.255%0.54667%0.667SS.*Hα-helixtrans-72.3-21179.100000113.4L156 C162L156-G160 WeakPolarHBondContact O-CA 3.45Å; L156-G160 PolarHBondContact O-N 3.43Å; G160-C162 PolarHBondContact O-N 3.39Å
161G58.2Low77.4Confident60 Ų60132.9 Ų132.962%0.61967%0.671SS**THydrogen-bonded Turntrans-793.9173.700000115M157 T159M157-G161 PolarHBondContact O-N 3.22Å; T159-G161 VanDerWaalsContact C-N 3.28Å; T159-G161 PolarHBondContact O-N 3.09Å
162C55.9Low76.1Confident99 Ų99134.5 Ų134.567%0.66968%0.682SS**THydrogen-bonded Turntrans-99.317.3177.2-64.30000113.3T159 G160T159-C162 PolarHBondContact O-N 3.3Å; G160-C162 PolarHBondContact O-N 3.39Å
163H50.7Low74.6Confident160 Ų160131.3 Ų131.374%0.74169%0.685SS**  trans-121.162.9174.8-68.31.9000109.7
164D44Very low73Confident232 Ų232126.6 Ų126.6100%1.24169%0.685SS**  trans-144.10158.2-77.8-43.4000108.4

Retrieved 164 of 164 residues in 113.5 ms (Link to these results)

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