A0A077ZKR1_TRITR Loading...

Thioredoxin domain-containing protein 9

AlphaFold DB , UniProt , Accession A0A077ZKR1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 240 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
1M55.5Low75.1Confident211 Ų211103 Ų103100%1.03958%0.577SS**  0-470-66.8-172.9-168.900112.3S3 G4 V5M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.28Å; M1-G4 PolarHBondContact O-N 2.77Å; M1-G4 VanDerWaalsContact O-N 3.11Å; M1-V5 PolarHBondContact O-N 3.46Å
2A64.2Low76.2Confident85 Ų85105.4 Ų105.470%0.70258%0.58SS**Hα-helixtrans-56.1-3817800000114.4G4 V5 E6A2-G4 VanDerWaalsContact C-N 3.32Å; A2-G4 PolarHBondContact O-N 3.24Å; A2-V5 PolarHBondContact O-N 3.19Å; A2-E6 PolarHBondContact O-N 3.48Å
3S67.1Low77.3Confident96 Ų96104.7 Ų104.767%0.67158%0.58SS**Hα-helixtrans-64.3-31.4177.254.50000114.2M1 N7M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.28Å; S3-N7 PolarHBondContact O-N 3.21Å; S3-N7 VanDerWaalsContact O-N 3.16Å
4G68.5Low78.2Confident38 Ų38105.2 Ų105.239%0.39258%0.58SS.*Hα-helixtrans-72.6-43.1179.900000112.3M1 A2 E6 N7 S8M1-G4 PolarHBondContact O-N 2.77Å; M1-G4 VanDerWaalsContact O-N 3.11Å; A2-G4 VanDerWaalsContact C-N 3.32Å; A2-G4 PolarHBondContact O-N 3.24Å; G4-E6 VanDerWaalsContact C-N 3.33Å; G4-E6 PolarHBondContact O-N 3.07Å; G4-N7 PolarHBondContact O-N 3.39Å; G4-S8 PolarHBondContact O-N 3.15Å; G4-S8 PolarHBondContact O-OG 2.8Å
5V73.6Confident79Confident79 Ų79102.1 Ų102.148%0.47957%0.573SS.*Hα-helixtrans-64.5-40.3177.4-177.50000110.9M1 A2 S8 R9M1-V5 PolarHBondContact O-N 3.46Å; A2-V5 PolarHBondContact O-N 3.19Å; V5-S8 PolarHBondContact O-N 3.41Å; V5-R9 PolarHBondContact O-N 3.47Å; V5-R9 VanDerWaalsContact O-N 3.14Å
6E75Confident79.9Confident98 Ų98104.9 Ų104.946%0.45858%0.58SS.*Hα-helixtrans-62.9-42176.1-165.161.7-151.600111.6A2 G4 R9 Q10A2-E6 PolarHBondContact O-N 3.48Å; G4-E6 VanDerWaalsContact C-N 3.33Å; G4-E6 PolarHBondContact O-N 3.07Å; E6-R9 PolarHBondContact O-N 2.91Å; E6-Q10 WeakPolarHBondContact O-CG 3.49Å; E6-Q10 PolarHBondContact O-N 3.38Å
7N83.3Confident80.5Confident99 Ų99102.2 Ų102.253%0.52958%0.575SS.*Hα-helixtrans-64.4-41.7177.5-126.632.7000112.4S3 G4 Q10 L11S3-N7 PolarHBondContact O-N 3.21Å; S3-N7 VanDerWaalsContact O-N 3.16Å; G4-N7 PolarHBondContact O-N 3.39Å; N7-Q10 PolarHBondContact O-N 3.49Å; N7-L11 WeakPolarHBondContact O-CG 3.11Å; N7-L11 PolarHBondContact O-N 3.34Å
8S83Confident81.1Confident65 Ų6599.7 Ų99.746%0.45557%0.569SS.*Hα-helixtrans-62.3-44.9177.2-64.50000112G4 V5 Q10 L11 E12G4-S8 PolarHBondContact O-N 3.15Å; G4-S8 PolarHBondContact O-OG 2.8Å; V5-S8 PolarHBondContact O-N 3.41Å; S8-Q10 VanDerWaalsContact C-N 3.34Å; S8-Q10 PolarHBondContact O-N 3.45Å; S8-L11 PolarHBondContact O-N 3.31Å; S8-E12 PolarHBondContact O-N 3.36Å
9R84.5Confident81.8Confident154 Ų154101.5 Ų101.558%0.58157%0.57SS**Hα-helixtrans-61.9-41.1175.8-74.3-179.3176.3159.8-2.3112.3V5 E6 L11 E12 V13V5-R9 PolarHBondContact O-N 3.47Å; V5-R9 VanDerWaalsContact O-N 3.14Å; E6-R9 PolarHBondContact O-N 2.91Å; R9-L11 VanDerWaalsContact C-N 3.33Å; R9-L11 PolarHBondContact O-N 2.9Å; R9-E12 PolarHBondContact O-N 2.92Å; R9-V13 WeakPolarHBondContact O-CG2 3.47Å; R9-V13 PolarHBondContact O-N 3.47Å
10Q83.3Confident82.3Confident96 Ų9698.9 Ų98.945%0.44956%0.562SS.*Hα-helixtrans-62.8-40176.6-72.5176.516.800112.1E6 N7 S8 V13 I14E6-Q10 WeakPolarHBondContact O-CG 3.49Å; E6-Q10 PolarHBondContact O-N 3.38Å; N7-Q10 PolarHBondContact O-N 3.49Å; S8-Q10 VanDerWaalsContact C-N 3.34Å; S8-Q10 PolarHBondContact O-N 3.45Å; Q10-V13 PolarHBondContact O-N 3Å; Q10-I14 WeakPolarHBondContact O-CD1 3.38Å; Q10-I14 VanDerWaalsContact O-CG1 3.26Å; Q10-I14 WeakPolarHBondContact O-CG1 3.4Å; Q10-I14 PolarHBondContact O-N 2.85Å
11L87.6Confident82.8Confident112 Ų11299.8 Ų99.859%0.58656%0.564SS**Hα-helixtrans-65-41.9176.6-73.6169.2000112.3N7 S8 R9 I14 A15N7-L11 WeakPolarHBondContact O-CG 3.11Å; N7-L11 PolarHBondContact O-N 3.34Å; S8-L11 PolarHBondContact O-N 3.31Å; R9-L11 VanDerWaalsContact C-N 3.33Å; R9-L11 PolarHBondContact O-N 2.9Å; L11-I14 PolarHBondContact O-N 3.43Å; L11-A15 WeakPolarHBondContact O-CB 3.42Å; L11-A15 PolarHBondContact O-N 3.16Å
12E88.6Confident84.6Confident132 Ų13295.2 Ų95.262%0.61754%0.541SS*.Hα-helixtrans-62.2-46.1176.5-73.4171.9-176.900111.7S8 R9 I14 A15 E16S8-E12 PolarHBondContact O-N 3.36Å; R9-E12 PolarHBondContact O-N 2.92Å; E12-I14 VanDerWaalsContact C-N 3.34Å; E12-I14 PolarHBondContact O-N 3.41Å; E12-A15 PolarHBondContact O-N 3Å; E12-E16 WeakPolarHBondContact O-CB 3.33Å; E12-E16 PolarHBondContact O-N 3.2Å
13V90.1Very high86.1Confident96 Ų9695.6 Ų95.658%0.58253%0.531SS*.Hα-helixtrans-61.8-41.3177172.90000111.5R9 Q10 A17R9-V13 WeakPolarHBondContact O-CG2 3.47Å; R9-V13 PolarHBondContact O-N 3.47Å; Q10-V13 PolarHBondContact O-N 3Å; V13-A17 WeakPolarHBondContact O-CB 3.41Å; V13-A17 PolarHBondContact O-N 2.92Å
14I90.8Very high87.3Confident112 Ų11297.7 Ų97.757%0.57453%0.53SS*.Hα-helixtrans-64.5-42.8175.5-70.3162.2000110.8Q10 L11 E12 A17 A18Q10-I14 WeakPolarHBondContact O-CD1 3.38Å; Q10-I14 VanDerWaalsContact O-CG1 3.26Å; Q10-I14 WeakPolarHBondContact O-CG1 3.4Å; Q10-I14 PolarHBondContact O-N 2.85Å; L11-I14 PolarHBondContact O-N 3.43Å; E12-I14 VanDerWaalsContact C-N 3.34Å; E12-I14 PolarHBondContact O-N 3.41Å; I14-A17 PolarHBondContact O-N 2.99Å; I14-A18 WeakPolarHBondContact O-CB 3.46Å; I14-A18 PolarHBondContact O-N 3.08Å
15A90.3Very high88.4Confident59 Ų59101 Ų10149%0.48854%0.538SS..Hα-helixtrans-64.8-41.6179.400000111.8L11 E12 A18 K19L11-A15 WeakPolarHBondContact O-CB 3.42Å; L11-A15 PolarHBondContact O-N 3.16Å; E12-A15 PolarHBondContact O-N 3Å; A15-A18 PolarHBondContact O-N 3.24Å; A15-K19 WeakPolarHBondContact O-CB 3.48Å; A15-K19 PolarHBondContact O-N 3.19Å
16E92.4Very high89.4Confident146 Ų146100.5 Ų100.568%0.68253%0.533SS*.Hα-helixtrans-65.4-43.3176-170.5173.6-168.100111.6E12 A18 K19 A20E12-E16 WeakPolarHBondContact O-CB 3.33Å; E12-E16 PolarHBondContact O-N 3.2Å; E16-A18 VanDerWaalsContact C-N 3.33Å; E16-A18 PolarHBondContact O-N 2.86Å; E16-K19 PolarHBondContact O-N 2.93Å; E16-A20 WeakPolarHBondContact O-CB 3.45Å; E16-A20 PolarHBondContact O-N 2.92Å
17A90.5Very high90.2Very high60 Ų6098.8 Ų98.850%0.49654%0.535SS..Hα-helixtrans-62.7-38.8174.300000112.4V13 I14 L21V13-A17 WeakPolarHBondContact O-CB 3.41Å; V13-A17 PolarHBondContact O-N 2.92Å; I14-A17 PolarHBondContact O-N 2.99Å; A17-L21 WeakPolarHBondContact O-CB 3.33Å; A17-L21 PolarHBondContact O-N 2.97Å
18A91.8Very high90.5Very high56 Ų5696.3 Ų96.346%0.46353%0.528SS..Hα-helixtrans-64.9-46175.800000111.4I14 A15 E16 A20 L21 E22I14-A18 WeakPolarHBondContact O-CB 3.46Å; I14-A18 PolarHBondContact O-N 3.08Å; A15-A18 PolarHBondContact O-N 3.24Å; E16-A18 VanDerWaalsContact C-N 3.33Å; E16-A18 PolarHBondContact O-N 2.86Å; A18-A20 PolarHBondContact O-N 3.01Å; A18-L21 WeakPolarHBondContact O-CB 3.43Å; A18-L21 PolarHBondContact O-N 3.06Å; A18-E22 PolarHBondContact O-N 3.19Å
19K93.8Very high90.8Very high135 Ų13596.4 Ų96.459%0.58752%0.523SS*.Hα-helixtrans-63.6-39.7177.3-169.3178.7-175.5179.90112.2A15 E16 L21 E22 N23A15-K19 WeakPolarHBondContact O-CB 3.48Å; A15-K19 PolarHBondContact O-N 3.19Å; E16-K19 PolarHBondContact O-N 2.93Å; K19-L21 VanDerWaalsContact C-N 3.32Å; K19-L21 PolarHBondContact O-N 2.88Å; K19-E22 PolarHBondContact O-N 2.86Å; K19-N23 VanDerWaalsContact O-CG 3.24Å; K19-N23 PolarHBondContact O-N 2.9Å; K19-N23 PolarHBondContact O-ND2 2.87Å
20A92.9Very high91.2Very high49 Ų4993.4 Ų93.441%0.40552%0.518SS..Hα-helixtrans-63.3-39.3174.800000112E16 A18 Q24E16-A20 WeakPolarHBondContact O-CB 3.45Å; E16-A20 PolarHBondContact O-N 2.92Å; A18-A20 PolarHBondContact O-N 3.01Å; A20-Q24 WeakPolarHBondContact O-CG 3.44Å; A20-Q24 PolarHBondContact O-N 3.34Å; A20-Q24 VanDerWaalsContact O-N 3.15Å
21L92.2Very high91.4Very high118 Ų11897.2 Ų97.262%0.61853%0.529SS*.Hα-helixtrans-68.1-40.1175.8-176.666.1000112.2A17 A18 K19 Q24 L25A17-L21 WeakPolarHBondContact O-CB 3.33Å; A17-L21 PolarHBondContact O-N 2.97Å; A18-L21 WeakPolarHBondContact O-CB 3.43Å; A18-L21 PolarHBondContact O-N 3.06Å; K19-L21 VanDerWaalsContact C-N 3.32Å; K19-L21 PolarHBondContact O-N 2.88Å; L21-Q24 PolarHBondContact O-N 3.4Å; L21-L25 WeakPolarHBondContact O-CB 3.21Å; L21-L25 PolarHBondContact O-N 2.92Å
22E93.8Very high91.3Very high115 Ų11596.8 Ų96.854%0.53753%0.527SS..Hα-helixtrans-61-52.1175.5-174.2175.8-169.200110.8A18 K19 Q24 L25 D26A18-E22 PolarHBondContact O-N 3.19Å; K19-E22 PolarHBondContact O-N 2.86Å; E22-Q24 VanDerWaalsContact C-N 3.26Å; E22-Q24 PolarHBondContact O-N 2.98Å; E22-L25 CarbonylContact O-C 3.52Å; E22-L25 WeakPolarHBondContact O-CA 3.47Å; E22-L25 WeakPolarHBondContact O-CB 3.49Å; E22-L25 PolarHBondContact O-N 2.87Å; E22-D26 PolarHBondContact O-N 3.43Å
23N94.4Very high91.2Very high93 Ų9397.4 Ų97.450%0.49753%0.53SS..Hα-helixtrans-58.2-37177.3-68.4-18.7000112.8K19 L25 A27K19-N23 VanDerWaalsContact O-CG 3.24Å; K19-N23 PolarHBondContact O-N 2.9Å; K19-N23 PolarHBondContact O-ND2 2.87Å; N23-L25 VanDerWaalsContact C-N 3.34Å; N23-A27 WeakPolarHBondContact O-CB 3.28Å; N23-A27 PolarHBondContact O-N 3.03Å
24Q92.8Very high91.1Very high139 Ų13999.1 Ų99.165%0.6554%0.536SS*.Hα-helixtrans-67.5-35.2174.8-77.5-179.1-1.500112.5A20 L21 E22 A28A20-Q24 WeakPolarHBondContact O-CG 3.44Å; A20-Q24 PolarHBondContact O-N 3.34Å; A20-Q24 VanDerWaalsContact O-N 3.15Å; L21-Q24 PolarHBondContact O-N 3.4Å; E22-Q24 VanDerWaalsContact C-N 3.26Å; E22-Q24 PolarHBondContact O-N 2.98Å; Q24-A28 WeakPolarHBondContact O-CB 3.29Å; Q24-A28 PolarHBondContact O-N 3.37Å
25L91.4Very high91Very high107 Ų10795.3 Ų95.356%0.5652%0.516SS*.Hα-helixtrans-70-45.2176.5-176.863000110.7L21 E22 N23 A28 I29L21-L25 WeakPolarHBondContact O-CB 3.21Å; L21-L25 PolarHBondContact O-N 2.92Å; E22-L25 CarbonylContact O-C 3.52Å; E22-L25 WeakPolarHBondContact O-CA 3.47Å; E22-L25 WeakPolarHBondContact O-CB 3.49Å; E22-L25 PolarHBondContact O-N 2.87Å; N23-L25 VanDerWaalsContact C-N 3.34Å; L25-A28 CarbonylContact O-C 3.44Å; L25-A28 WeakPolarHBondContact O-CA 3.38Å; L25-A28 WeakPolarHBondContact O-CB 3.43Å; L25-A28 PolarHBondContact O-N 3.5Å; L25-A28 VanDerWaalsContact O-N 3.08Å; L25-I29 HydrophobicContact CG-CD1 4.12Å; L25-I29 WeakPolarHBondContact O-CG1 3.34Å; L25-I29 PolarHBondContact O-N 3.19Å
26D94.2Very high91Very high70 Ų7096.6 Ų96.637%0.37452%0.515SS..Hα-helixtrans-60.8-47178.3-68.2-18.9000111.1E22 A28 I29 D30E22-D26 PolarHBondContact O-N 3.43Å; D26-A28 PolarHBondContact O-N 3.06Å; D26-I29 WeakPolarHBondContact O-CA 3.42Å; D26-I29 WeakPolarHBondContact O-CB 3.4Å; D26-I29 PolarHBondContact O-N 2.89Å; D26-D30 PolarHBondContact O-N 3.38Å
27A93.2Very high90.8Very high61 Ų6195.8 Ų95.850%0.50452%0.515SS..Hα-helixtrans-60-31.917500000113N23 R31N23-A27 WeakPolarHBondContact O-CB 3.28Å; N23-A27 PolarHBondContact O-N 3.03Å; A27-R31 WeakPolarHBondContact O-CB 3.49Å; A27-R31 PolarHBondContact O-N 3.24Å
28A89.6Confident90.7Very high47 Ų4798.7 Ų98.739%0.38852%0.522SS..Hα-helixtrans-74.6-33.1174.800000112.5Q24 L25 D26 L32Q24-A28 WeakPolarHBondContact O-CB 3.29Å; Q24-A28 PolarHBondContact O-N 3.37Å; L25-A28 CarbonylContact O-C 3.44Å; L25-A28 WeakPolarHBondContact O-CA 3.38Å; L25-A28 WeakPolarHBondContact O-CB 3.43Å; L25-A28 PolarHBondContact O-N 3.5Å; L25-A28 VanDerWaalsContact O-N 3.08Å; D26-A28 PolarHBondContact O-N 3.06Å; A28-L32 VanDerWaalsContact O-CG 3.29Å; A28-L32 WeakPolarHBondContact O-CG 3.45Å; A28-L32 PolarHBondContact O-N 3.36Å
29I89.7Confident90.7Very high67 Ų6799.8 Ų99.834%0.34452%0.518SS..Hα-helixtrans-67.5-51.4174.4-68.6165.7000109.7L25 D26 R31 L32 E33L25-I29 HydrophobicContact CG-CD1 4.12Å; L25-I29 WeakPolarHBondContact O-CG1 3.34Å; L25-I29 PolarHBondContact O-N 3.19Å; D26-I29 WeakPolarHBondContact O-CA 3.42Å; D26-I29 WeakPolarHBondContact O-CB 3.4Å; D26-I29 PolarHBondContact O-N 2.89Å; I29-R31 PolarHBondContact O-N 3.03Å; I29-L32 WeakPolarHBondContact O-CA 3.49Å; I29-L32 WeakPolarHBondContact O-CB 3.38Å; I29-L32 PolarHBondContact O-N 3.06Å; I29-E33 HydrophobicContact CG2-CG 4.28Å; I29-E33 PolarHBondContact O-N 3.44Å
30D91.9Very high90.5Very high91 Ų9197.3 Ų97.349%0.48751%0.51SS..Hα-helixtrans-55-40.8178.4-73-11.8000111.4D26 L32 E33 N34D26-D30 PolarHBondContact O-N 3.38Å; D30-L32 VanDerWaalsContact C-N 3.34Å; D30-L32 PolarHBondContact O-N 3.04Å; D30-E33 PolarHBondContact O-N 3.48Å; D30-N34 WeakPolarHBondContact O-CB 3.5Å; D30-N34 PolarHBondContact O-N 3.14Å; D30-N34 VanDerWaalsContact O-N 3.16Å; D30-N34 PolarHBondContact O-ND2 3.41Å
31R87.8Confident90.4Very high176 Ų176100.2 Ų100.266%0.66452%0.518SS*.Hα-helixtrans-63.2-39.7175-175.1-176.1174.9-172.32112.5A27 I29 L35A27-R31 WeakPolarHBondContact O-CB 3.49Å; A27-R31 PolarHBondContact O-N 3.24Å; I29-R31 PolarHBondContact O-N 3.03Å; R31-L35 PolarHBondContact O-N 3.45Å
32L84.7Confident90.4Very high104 Ų10497.4 Ų97.455%0.54551%0.512SS..Hα-helixtrans-72-33.7-179.6-73.5173.1000112.4A28 I29 D30 N34 L35A28-L32 VanDerWaalsContact O-CG 3.29Å; A28-L32 WeakPolarHBondContact O-CG 3.45Å; A28-L32 PolarHBondContact O-N 3.36Å; I29-L32 WeakPolarHBondContact O-CA 3.49Å; I29-L32 WeakPolarHBondContact O-CB 3.38Å; I29-L32 PolarHBondContact O-N 3.06Å; D30-L32 VanDerWaalsContact C-N 3.34Å; D30-L32 PolarHBondContact O-N 3.04Å; L32-N34 VanDerWaalsContact C-N 3.33Å; L32-L35 HydrophobicContact CD2-CD1 3.86Å; L32-L35 WeakPolarHBondContact O-CG 3.33Å
33E86.6Confident90.2Very high145 Ų14595 Ų9568%0.67850%0.502SS*.Hα-helixtrans-71-31177-68.7-174.3169.500112.3I29 D30I29-E33 HydrophobicContact CG2-CG 4.28Å; I29-E33 PolarHBondContact O-N 3.44Å; D30-E33 PolarHBondContact O-N 3.48Å
34N88.8Confident90.2Very high132 Ų132100.2 Ų100.271%0.70652%0.515SS*.THydrogen-bonded Turntrans-9716.6179.8-65.2-61000113.9D30 L32D30-N34 WeakPolarHBondContact O-CB 3.5Å; D30-N34 PolarHBondContact O-N 3.14Å; D30-N34 VanDerWaalsContact O-N 3.16Å; D30-N34 PolarHBondContact O-ND2 3.41Å; L32-N34 VanDerWaalsContact C-N 3.33Å
35L87.3Confident90.2Very high31 Ų31101.8 Ų101.816%0.16252%0.515CS..  trans-62.5137.7174.4-68.9175.1000110.5R31 L32 E39 L40 L43R31-L35 PolarHBondContact O-N 3.45Å; L32-L35 HydrophobicContact CD2-CD1 3.86Å; L32-L35 WeakPolarHBondContact O-CG 3.33Å; L35-E39 WeakPolarHBondContact CA-OE2 3.26Å; L35-E39 HydrophobicContact CB-CB 4.21Å; L35-E39 HydrophobicContact CD2-CB 3.96Å; L35-E39 HydrophobicContact CD2-CG 4.45Å; L35-E39 WeakPolarHBondContact CD2-OE2 3.35Å; L35-L40 HydrophobicContact CB-CD2 4.14Å; L35-L40 HydrophobicContact CB-CG 4.07Å; L35-L40 HydrophobicContact CD1-CD2 4.01Å; L35-L43 HydrophobicContact CD1-CD2 4.24Å
36D90.5Very high90.3Very high87 Ų87102.6 Ų102.647%0.46551%0.514SS..  trans-77173.5172.573.130.7000112.1D38 E39 L40D36-D38 VanDerWaalsContact C-N 3.3Å; D36-D38 PolarHBondContact O-N 3.49Å; D36-D38 WeakPolarHBondContact OD1-CA 3.47Å; D36-D38 PolarHBondContact OD1-N 3.2Å; D36-E39 PolarHBondContact N-OE2 3.11Å; D36-E39 PolarHBondContact O-N 3.5Å; D36-E39 WeakPolarHBondContact OD1-CB 3.42Å; D36-E39 WeakPolarHBondContact OD1-CG 3.41Å; D36-E39 PolarHBondContact OD1-N 3.06Å; D36-L40 WeakPolarHBondContact O-CB 3.33Å; D36-L40 VanDerWaalsContact O-CG 3.28Å; D36-L40 WeakPolarHBondContact O-CG 3.5Å; D36-L40 PolarHBondContact O-N 3.27Å
37N88.4Confident90.3Very high128 Ų128106 Ų10668%0.68452%0.522SS*.Hα-helixtrans-61.3-36.4-179.5-79.2-37.1000113.1L40 I41N37-L40 PolarHBondContact O-N 3.29Å; N37-I41 WeakPolarHBondContact O-CD1 3.46Å; N37-I41 WeakPolarHBondContact O-CG1 3.47Å; N37-I41 PolarHBondContact O-N 3.16Å
38D89.9Confident90.4Very high122 Ų122107.5 Ų107.565%0.65252%0.521SS*.Hα-helixtrans-72.6-39.9-177.6-73.9-20.2000110.9D36 I41 A42D36-D38 VanDerWaalsContact C-N 3.3Å; D36-D38 PolarHBondContact O-N 3.49Å; D36-D38 WeakPolarHBondContact OD1-CA 3.47Å; D36-D38 PolarHBondContact OD1-N 3.2Å; D38-I41 PolarHBondContact O-N 3.28Å; D38-A42 WeakPolarHBondContact O-CB 3.35Å; D38-A42 PolarHBondContact O-N 3.38Å
39E90.6Very high90.7Very high78 Ų78110 Ų11036%0.36452%0.524SS..Hα-helixtrans-63.8-41.5173.2-68.8-174.9129.800111.6L35 D36 A42 L43L35-E39 WeakPolarHBondContact CA-OE2 3.26Å; L35-E39 HydrophobicContact CB-CB 4.21Å; L35-E39 HydrophobicContact CD2-CB 3.96Å; L35-E39 HydrophobicContact CD2-CG 4.45Å; L35-E39 WeakPolarHBondContact CD2-OE2 3.35Å; D36-E39 PolarHBondContact N-OE2 3.11Å; D36-E39 PolarHBondContact O-N 3.5Å; D36-E39 WeakPolarHBondContact OD1-CB 3.42Å; D36-E39 WeakPolarHBondContact OD1-CG 3.41Å; D36-E39 PolarHBondContact OD1-N 3.06Å; E39-A42 PolarHBondContact O-N 3.48Å; E39-L43 WeakPolarHBondContact O-CB 3.33Å; E39-L43 PolarHBondContact O-N 3.49Å
40L89.5Confident91Very high83 Ų83110 Ų11044%0.43552%0.523SS..Hα-helixtrans-61.6-42.7174-73.3172.8000111.7L35 D36 N37 L43 R44L35-L40 HydrophobicContact CB-CD2 4.14Å; L35-L40 HydrophobicContact CB-CG 4.07Å; L35-L40 HydrophobicContact CD1-CD2 4.01Å; D36-L40 WeakPolarHBondContact O-CB 3.33Å; D36-L40 VanDerWaalsContact O-CG 3.28Å; D36-L40 WeakPolarHBondContact O-CG 3.5Å; D36-L40 PolarHBondContact O-N 3.27Å; N37-L40 PolarHBondContact O-N 3.29Å; L40-L43 PolarHBondContact O-N 3.37Å; L40-R44 WeakPolarHBondContact O-CB 3.37Å; L40-R44 PolarHBondContact O-N 3.47Å
41I91.2Very high91.1Very high111 Ų111110.2 Ų110.257%0.56952%0.523SS*.Hα-helixtrans-62.8-46175.7-70.6164000110.6N37 D38 L43 R44 R45N37-I41 WeakPolarHBondContact O-CD1 3.46Å; N37-I41 WeakPolarHBondContact O-CG1 3.47Å; N37-I41 PolarHBondContact O-N 3.16Å; D38-I41 PolarHBondContact O-N 3.28Å; I41-L43 PolarHBondContact O-N 2.9Å; I41-R44 PolarHBondContact O-N 2.93Å; I41-R45 PolarHBondContact O-N 3.29Å
42A91.9Very high91.5Very high58 Ų58108.5 Ų108.548%0.47952%0.521SS..Hα-helixtrans-61.8-42.7177.800000111.8D38 E39 R45 K46D38-A42 WeakPolarHBondContact O-CB 3.35Å; D38-A42 PolarHBondContact O-N 3.38Å; E39-A42 PolarHBondContact O-N 3.48Å; A42-R45 PolarHBondContact O-N 3.31Å; A42-K46 WeakPolarHBondContact O-CB 3.38Å; A42-K46 PolarHBondContact O-N 3.37Å
43L90.4Very high92Very high64 Ų64110.2 Ų110.234%0.33552%0.524SS..Hα-helixtrans-62.5-45.1176-178.161.4000111.2L35 E39 L40 I41 R45 K46 R47L35-L43 HydrophobicContact CD1-CD2 4.24Å; E39-L43 WeakPolarHBondContact O-CB 3.33Å; E39-L43 PolarHBondContact O-N 3.49Å; L40-L43 PolarHBondContact O-N 3.37Å; I41-L43 PolarHBondContact O-N 2.9Å; L43-R45 PolarHBondContact O-N 2.94Å; L43-K46 PolarHBondContact O-N 2.92Å; L43-R47 HydrophobicContact CD1-CG 4.43Å; L43-R47 WeakPolarHBondContact O-CB 3.42Å; L43-R47 VanDerWaalsContact O-CG 3.3Å; L43-R47 WeakPolarHBondContact O-CG 3.5Å; L43-R47 PolarHBondContact O-N 3.32Å
44R92.8Very high92.2Very high204 Ų204109.7 Ų109.777%0.7752%0.516SS*.Hα-helixtrans-59.5-46.2176.6-175.1175.7-177.7160.90.5111.3L40 I41 R47 L48L40-R44 WeakPolarHBondContact O-CB 3.37Å; L40-R44 PolarHBondContact O-N 3.47Å; I41-R44 PolarHBondContact O-N 2.93Å; R44-R47 PolarHBondContact O-N 2.94Å; R44-L48 WeakPolarHBondContact O-CB 3.46Å; R44-L48 PolarHBondContact O-N 3.33Å
45R93.8Very high92.4Very high171 Ų171108.2 Ų108.265%0.64551%0.505SS*.Hα-helixtrans-58.7-49.8176178.1-179.4163.5-176.8-4111.3I41 A42 L43 R47 L48 E49I41-R45 PolarHBondContact O-N 3.29Å; A42-R45 PolarHBondContact O-N 3.31Å; L43-R45 PolarHBondContact O-N 2.94Å; R45-R47 VanDerWaalsContact C-N 3.32Å; R45-R47 PolarHBondContact O-N 2.91Å; R45-L48 PolarHBondContact O-N 3.41Å; R45-E49 WeakPolarHBondContact CG-OE1 3.3Å; R45-E49 IonicContact CZ-OE1 3.69Å; R45-E49 IonicContact NE-OE1 2.9Å; R45-E49 PolarHBondContact NE-OE1 3.18Å; R45-E49 IonicContact NH2-OE1 3.57Å; R45-E49 WeakPolarHBondContact O-CG 3.26Å; R45-E49 PolarHBondContact O-N 2.91Å
46K94.3Very high92.8Very high124 Ų124112.5 Ų112.554%0.53952%0.524SS..Hα-helixtrans-58.5-42.4178.1-177.4176.4-178.6176.70112.1A42 L43 Q50A42-K46 WeakPolarHBondContact O-CB 3.38Å; A42-K46 PolarHBondContact O-N 3.37Å; L43-K46 PolarHBondContact O-N 2.92Å; K46-Q50 VanDerWaalsContact O-CG 3.26Å; K46-Q50 WeakPolarHBondContact O-CG 3.43Å; K46-Q50 PolarHBondContact O-N 3.02Å
47R93.5Very high92.9Very high143 Ų143110.4 Ų110.454%0.5451%0.512SS..Hα-helixtrans-65-43.2176.4-71.2-67.2-172.1179.65.9111.8L43 R44 R45 Q50 L51L43-R47 HydrophobicContact CD1-CG 4.43Å; L43-R47 WeakPolarHBondContact O-CB 3.42Å; L43-R47 VanDerWaalsContact O-CG 3.3Å; L43-R47 WeakPolarHBondContact O-CG 3.5Å; L43-R47 PolarHBondContact O-N 3.32Å; R44-R47 PolarHBondContact O-N 2.94Å; R45-R47 VanDerWaalsContact C-N 3.32Å; R45-R47 PolarHBondContact O-N 2.91Å; R47-Q50 PolarHBondContact O-N 2.93Å; R47-L51 WeakPolarHBondContact O-CG 3.45Å; R47-L51 PolarHBondContact O-N 3.37Å
48L95.5Very high93Very high92 Ų92109.3 Ų109.348%0.48250%0.501SS..Hα-helixtrans-62.8-43.5177.4-175.164.9000111.6R44 R45 L51 K52R44-L48 WeakPolarHBondContact O-CB 3.46Å; R44-L48 PolarHBondContact O-N 3.33Å; R45-L48 PolarHBondContact O-N 3.41Å; L48-L51 PolarHBondContact O-N 2.93Å; L48-K52 HydrophobicContact CG-CD 4.49Å; L48-K52 WeakPolarHBondContact O-CG 3.38Å; L48-K52 PolarHBondContact O-N 3.31Å
49E96Very high93.3Very high98 Ų98111.2 Ų111.246%0.45850%0.5SS..Hα-helixtrans-61-44.4175-72.7173-172.400111.8R45 L51 K52 K53R45-E49 WeakPolarHBondContact CG-OE1 3.3Å; R45-E49 IonicContact CZ-OE1 3.69Å; R45-E49 IonicContact NE-OE1 2.9Å; R45-E49 PolarHBondContact NE-OE1 3.18Å; R45-E49 IonicContact NH2-OE1 3.57Å; R45-E49 WeakPolarHBondContact O-CG 3.26Å; R45-E49 PolarHBondContact O-N 2.91Å; E49-L51 PolarHBondContact O-N 3.45Å; E49-K52 PolarHBondContact O-N 2.95Å; E49-K53 WeakPolarHBondContact O-CB 3.36Å; E49-K53 PolarHBondContact O-N 3Å
50Q94.8Very high93.4Very high68 Ų68113.5 Ų113.532%0.31851%0.508SS..Hα-helixtrans-62-40.4175.7-73175.13.400112.7K46 R47 R54K46-Q50 VanDerWaalsContact O-CG 3.26Å; K46-Q50 WeakPolarHBondContact O-CG 3.43Å; K46-Q50 PolarHBondContact O-N 3.02Å; R47-Q50 PolarHBondContact O-N 2.93Å; Q50-R54 WeakPolarHBondContact O-CG 3.37Å; Q50-R54 PolarHBondContact O-N 3.39Å
51L94.4Very high93.7Very high96 Ų96113 Ų11350%0.50350%0.5SS..Hα-helixtrans-65.5-46.9176.9-74169.6000111.1R47 L48 E49 K53 R54 E55R47-L51 WeakPolarHBondContact O-CG 3.45Å; R47-L51 PolarHBondContact O-N 3.37Å; L48-L51 PolarHBondContact O-N 2.93Å; E49-L51 PolarHBondContact O-N 3.45Å; L51-K53 VanDerWaalsContact C-N 3.31Å; L51-K53 PolarHBondContact O-N 3.32Å; L51-R54 PolarHBondContact O-N 2.89Å; L51-E55 WeakPolarHBondContact O-CB 3.45Å; L51-E55 PolarHBondContact O-N 3.37Å
52K95.9Very high93.8Very high140 Ų140111.3 Ų111.361%0.60950%0.495SS*.Hα-helixtrans-57.5-44175.7-74.6179.4178-177.70111.8L48 E49 E55 H56L48-K52 HydrophobicContact CG-CD 4.49Å; L48-K52 WeakPolarHBondContact O-CG 3.38Å; L48-K52 PolarHBondContact O-N 3.31Å; E49-K52 PolarHBondContact O-N 2.95Å; K52-E55 PolarHBondContact O-N 2.95Å; K52-H56 WeakPolarHBondContact O-CB 3.39Å; K52-H56 PolarHBondContact O-N 3.46Å
53K94.8Very high93.8Very high140 Ų140114.8 Ų114.861%0.60951%0.506SS*.Hα-helixtrans-63.2-48.5177.3-175.2176.7178.9178.80112E49 L51 E55 H56 D57E49-K53 WeakPolarHBondContact O-CB 3.36Å; E49-K53 PolarHBondContact O-N 3Å; L51-K53 VanDerWaalsContact C-N 3.31Å; L51-K53 PolarHBondContact O-N 3.32Å; K53-E55 VanDerWaalsContact C-N 3.3Å; K53-E55 PolarHBondContact O-N 2.71Å; K53-H56 WeakPolarHBondContact O-CB 3.5Å; K53-H56 PolarHBondContact O-N 3.1Å; K53-D57 VanDerWaalsContact O-CG 3.31Å; K53-D57 PolarHBondContact O-N 2.96Å
54R91.3Very high94Very high134 Ų134112.3 Ų112.351%0.50650%0.495SS..Hα-helixtrans-59.8-40.8178.1-75.8-175.6-126.7137.20.7112.2Q50 L51 K58Q50-R54 WeakPolarHBondContact O-CG 3.37Å; Q50-R54 PolarHBondContact O-N 3.39Å; L51-R54 PolarHBondContact O-N 2.89Å; R54-K58 VanDerWaalsContact O-CB 3.24Å; R54-K58 WeakPolarHBondContact O-CB 3.49Å; R54-K58 PolarHBondContact O-N 3.19Å
55E93.3Very high93.9Very high101 Ų101103.7 Ų103.747%0.47247%0.469SS..Hα-helixtrans-67.9-40.1177.5-170.957.8-153.800111.5L51 K52 K53 K58 R59L51-E55 WeakPolarHBondContact O-CB 3.45Å; L51-E55 PolarHBondContact O-N 3.37Å; K52-E55 PolarHBondContact O-N 2.95Å; K53-E55 VanDerWaalsContact C-N 3.3Å; K53-E55 PolarHBondContact O-N 2.71Å; E55-K58 PolarHBondContact O-N 2.93Å; E55-R59 VanDerWaalsContact O-CG 3.29Å; E55-R59 WeakPolarHBondContact O-CG 3.44Å; E55-R59 PolarHBondContact O-N 3.33Å
56H95.2Very high93.9Very high121 Ų12195.9 Ų95.956%0.5644%0.44SS*.Hα-helixtrans-60.4-49.2173.8178.976.7000112.1K52 K53 K58 R59 K60K52-H56 WeakPolarHBondContact O-CB 3.39Å; K52-H56 PolarHBondContact O-N 3.46Å; K53-H56 WeakPolarHBondContact O-CB 3.5Å; K53-H56 PolarHBondContact O-N 3.1Å; H56-K58 PolarHBondContact O-N 3.29Å; H56-R59 PolarHBondContact O-N 3.35Å; H56-K60 WeakPolarHBondContact O-CB 3.34Å; H56-K60 PolarHBondContact O-N 2.81Å
57D92.3Very high93.8Very high43 Ų4390.7 Ų90.723%0.2342%0.422CS..Hα-helixtrans-61.8-44.3179.1-67-25.5000110.8K53 R59 K60 W61K53-D57 VanDerWaalsContact O-CG 3.31Å; K53-D57 PolarHBondContact O-N 2.96Å; D57-R59 PolarHBondContact O-N 3.02Å; D57-K60 WeakPolarHBondContact O-CB 3.26Å; D57-K60 PolarHBondContact O-N 3.03Å; D57-W61 HydrophobicContact CB-CE3 4.5Å; D57-W61 HydrophobicContact CB-CH2 3.95Å; D57-W61 HydrophobicContact CB-CZ2 4.02Å; D57-W61 HydrophobicContact CB-CZ3 4.2Å; D57-W61 VanDerWaalsContact O-CD2 3.23Å; D57-W61 VanDerWaalsContact O-CG 3.26Å; D57-W61 PolarHBondContact O-N 2.98Å
58K92Very high93.8Very high105 Ų10587.5 Ų87.546%0.45742%0.418SS..Hα-helixtrans-54.9-49.9174.4-172.6-177.5-177.4-175.50111.7R54 E55 H56 K60 W61 V62 L115R54-K58 VanDerWaalsContact O-CB 3.24Å; R54-K58 WeakPolarHBondContact O-CB 3.49Å; R54-K58 PolarHBondContact O-N 3.19Å; E55-K58 PolarHBondContact O-N 2.93Å; H56-K58 PolarHBondContact O-N 3.29Å; K58-K60 PolarHBondContact O-N 2.88Å; K58-W61 PolarHBondContact O-N 3.49Å; K58-V62 VanDerWaalsContact O-CG2 3.32Å; K58-V62 WeakPolarHBondContact O-CG2 3.24Å; K58-V62 PolarHBondContact O-N 3.29Å; K58-L115 HydrophobicContact CB-CD2 4.34Å; K58-L115 HydrophobicContact CD-CD2 4.41Å; K58-L115 HydrophobicContact CG-CD2 3.47Å; K58-L115 VanDerWaalsContact CG-CD2 3.47Å
59R94.8Very high93.8Very high162 Ų16284.9 Ų84.961%0.61140%0.402SS*.Hα-helixtrans-63.3-41.2178.4-70.8177.575.1-171.14.9111.7E55 H56 D57 W61 V62 N63E55-R59 VanDerWaalsContact O-CG 3.29Å; E55-R59 WeakPolarHBondContact O-CG 3.44Å; E55-R59 PolarHBondContact O-N 3.33Å; H56-R59 PolarHBondContact O-N 3.35Å; D57-R59 PolarHBondContact O-N 3.02Å; R59-W61 PolarHBondContact O-N 3.02Å; R59-V62 PolarHBondContact O-N 3.47Å; R59-N63 WeakPolarHBondContact O-CB 3.36Å; R59-N63 PolarHBondContact O-N 2.84Å; R59-N63 PolarHBondContact O-ND2 3.35Å; R59-N63 PolarHBondContact O-OD1 3.17Å
60K94.4Very high93.8Very high125 Ų12582.3 Ų82.354%0.54339%0.393SS..Hα-helixtrans-59.6-45.7176.2-179.5-178175-173.40111.6H56 D57 K58 N63 A64H56-K60 WeakPolarHBondContact O-CB 3.34Å; H56-K60 PolarHBondContact O-N 2.81Å; D57-K60 WeakPolarHBondContact O-CB 3.26Å; D57-K60 PolarHBondContact O-N 3.03Å; K58-K60 PolarHBondContact O-N 2.88Å; K60-N63 PolarHBondContact O-N 3.13Å; K60-A64 WeakPolarHBondContact O-CB 3.43Å; K60-A64 PolarHBondContact O-N 3.32Å
61W94.3Very high93.8Very high73 Ų7382.5 Ų82.528%0.27739%0.394SS..Hα-helixtrans-66-45.9178.5-63.5-37.8000112.4D57 K58 R59 N63 A64 G65 H66 L115 E116D57-W61 HydrophobicContact CB-CE3 4.5Å; D57-W61 HydrophobicContact CB-CH2 3.95Å; D57-W61 HydrophobicContact CB-CZ2 4.02Å; D57-W61 HydrophobicContact CB-CZ3 4.2Å; D57-W61 VanDerWaalsContact O-CD2 3.23Å; D57-W61 VanDerWaalsContact O-CG 3.26Å; D57-W61 PolarHBondContact O-N 2.98Å; K58-W61 PolarHBondContact O-N 3.49Å; R59-W61 PolarHBondContact O-N 3.02Å; W61-N63 VanDerWaalsContact C-N 3.33Å; W61-N63 PolarHBondContact O-N 3.1Å; W61-A64 CarbonylContact O-C 3.55Å; W61-A64 WeakPolarHBondContact O-CA 3.42Å; W61-A64 PolarHBondContact O-N 3.12Å; W61-G65 PolarHBondContact O-N 3.07Å; W61-H66 HydrophobicContact CB-CB 3.84Å; W61-H66 VanDerWaalsContact O-CB 3.27Å; W61-H66 WeakPolarHBondContact O-CB 3.39Å; W61-H66 PolarHBondContact O-CD2 3.03Å; W61-H66 PolarHBondContact O-N 3.42Å; W61-L115 HydrophobicContact CB-CG 4.15Å; W61-L115 WeakPolarHBondContact CB-O 3.36Å; W61-L115 HydrophobicContact CE3-CB 4.36Å; W61-L115 HydrophobicContact CE3-CD2 4.22Å; W61-L115 HydrophobicContact CE3-CG 4.09Å; W61-E116 HydrophobicContact CH2-CB 3.9Å; W61-E116 HydrophobicContact CZ2-CB 3.9Å; W61-E116 HydrophobicContact CZ3-CB 4.24Å
62V93.4Very high93.9Very high76 Ų7678.3 Ų78.346%0.46137%0.372SS..Hα-helixtrans-59-45.1175.8172.70000111K58 R59 A64 G65 L115K58-V62 VanDerWaalsContact O-CG2 3.32Å; K58-V62 WeakPolarHBondContact O-CG2 3.24Å; K58-V62 PolarHBondContact O-N 3.29Å; R59-V62 PolarHBondContact O-N 3.47Å; V62-A64 PolarHBondContact O-N 2.84Å; V62-G65 PolarHBondContact O-N 2.8Å; V62-L115 HydrophobicContact CG2-CD1 4.08Å; V62-L115 HydrophobicContact CG2-CD2 4.23Å
63N93.7Very high93.9Very high131 Ų13175.4 Ų75.470%0.70136%0.363SS*.Hα-helixtrans-63.5-30.3176.3-70.5-9.3000112.6R59 K60 W61 G65R59-N63 WeakPolarHBondContact O-CB 3.36Å; R59-N63 PolarHBondContact O-N 2.84Å; R59-N63 PolarHBondContact O-ND2 3.35Å; R59-N63 PolarHBondContact O-OD1 3.17Å; K60-N63 PolarHBondContact O-N 3.13Å; W61-N63 VanDerWaalsContact C-N 3.33Å; W61-N63 PolarHBondContact O-N 3.1Å; N63-G65 PolarHBondContact O-N 2.85Å
64A93.1Very high93.8Very high12 Ų1270.3 Ų70.310%0.09935%0.345CS..THydrogen-bonded Turntrans-81.87.4173.500000113K60 W61 V62 R84 R118K60-A64 WeakPolarHBondContact O-CB 3.43Å; K60-A64 PolarHBondContact O-N 3.32Å; W61-A64 CarbonylContact O-C 3.55Å; W61-A64 WeakPolarHBondContact O-CA 3.42Å; W61-A64 PolarHBondContact O-N 3.12Å; V62-A64 PolarHBondContact O-N 2.84Å; A64-R84 HydrophobicContact CB-CB 4.4Å; A64-R118 PolarHBondContact O-NH1 3.13Å
65G92Very high93.9Very high22 Ų2265.5 Ų65.523%0.22733%0.33CS..THydrogen-bonded Turntrans77.323.6177.500000114.8W61 V62 N63W61-G65 PolarHBondContact O-N 3.07Å; V62-G65 PolarHBondContact O-N 2.8Å; N63-G65 PolarHBondContact O-N 2.85Å
66H93.6Very high93.9Very high7 Ų765 Ų653%0.03233%0.333CS..  trans-80.9162.1172.5-61.8-132.3000110.1W61 T68 S85 L115 C117 R118W61-H66 HydrophobicContact CB-CB 3.84Å; W61-H66 VanDerWaalsContact O-CB 3.27Å; W61-H66 WeakPolarHBondContact O-CB 3.39Å; W61-H66 PolarHBondContact O-CD2 3.03Å; W61-H66 PolarHBondContact O-N 3.42Å; H66-T68 VanDerWaalsContact C-N 3.26Å; H66-T68 PolarHBondContact O-N 3.48Å; H66-S85 WeakPolarHBondContact NE2-CB 3.47Å; H66-S85 PolarHBondContact NE2-OG 2.87Å; H66-L115 HydrophobicContact CB-CD1 4.08Å; H66-L115 VanDerWaalsContact CB-O 3.27Å; H66-L115 WeakPolarHBondContact CB-O 3.31Å; H66-L115 PolarHBondContact ND1-O 2.8Å; H66-C117 VanDerWaalsContact ND1-C 3.28Å; H66-R118 PolarHBondContact CE1-N 3.43Å; H66-R118 PolarHBondContact ND1-N 2.85Å
67G92Very high93.9Very high16 Ų1662.6 Ų62.617%0.16532%0.323CS..SBendtrans89-11.8-179.500000114.2S111G67-S111 CarbonylContact C-O 3.59Å; G67-S111 VanDerWaalsContact CA-O 3.22Å; G67-S111 WeakPolarHBondContact CA-O 3.32Å
68T93.7Very high94Very high76 Ų7660.6 Ų60.647%0.46631%0.312SS..SBendtrans-126.9152.9177.458.50000110.2H66H66-T68 VanDerWaalsContact C-N 3.26Å; H66-T68 PolarHBondContact O-N 3.48Å
69Y95.7Very high94.1Very high37 Ų3758 Ų5815%0.14530%0.3CS..EExtended strand (participates in β ladder)trans-100.3111.9175.1-176.4-121.1000109.3M91 D104 L107 I108 F119 K121Y69-M91 WeakPolarHBondContact OH-CE 3.37Å; Y69-D104 HydrophobicContact CE1-CB 4.12Å; Y69-D104 WeakPolarHBondContact CE1-OD1 3.17Å; Y69-D104 VanDerWaalsContact CZ-OD1 3.26Å; Y69-D104 PolarHBondContact OH-OD1 3.32Å; Y69-L107 HydrophobicContact CD2-CB 4.08Å; Y69-L107 HydrophobicContact CE2-CB 3.74Å; Y69-L107 HydrophobicContact CE2-CD1 3.89Å; Y69-L107 HydrophobicContact CE2-CG 4.46Å; Y69-L107 WeakPolarHBondContact OH-CD1 3.3Å; Y69-I108 HydrophobicContact CD1-CD1 4.31Å; Y69-I108 HydrophobicContact CD1-CG1 3.59Å; Y69-I108 HydrophobicContact CE1-CG1 4.43Å; Y69-I108 HydrophobicContact CG-CG1 4.04Å; Y69-F119 HydrophobicContact CD2-CB 3.88Å; Y69-F119 HydrophobicContact CE2-CB 4.48Å; Y69-K121 HydrophobicContact CE1-CB 4.41Å; Y69-K121 HydrophobicContact CE1-CD 3.86Å; Y69-K121 HydrophobicContact CE1-CG 4.26Å; Y69-K121 HydrophobicContact CE2-CB 4.3Å; Y69-K121 WeakPolarHBondContact OH-CB 3.41Å
70T95.3Very high94Very high43 Ų4354.8 Ų54.826%0.26429%0.292SS..EExtended strand (participates in β ladder)trans-116.9144.7-172.5600000112.3C120 K121T70-C120 CarbonylContact O-C 3.39Å; T70-C120 WeakPolarHBondContact O-CA 3.47Å; T70-C120 WeakPolarHBondContact O-CB 3.44Å; T70-C120 PolarHBondContact OG1-SG 3.45Å; T70-K121 PolarHBondContact O-N 3.2Å
71E95.8Very high94Very high73 Ų7349 Ų4934%0.34127%0.268SS..EExtended strand (participates in β ladder)trans-84.6131.8169.3-175.6172.4158.600110.4Y93 K121 K126E71-Y93 PolarHBondContact OE1-OH 3.19Å; E71-Y93 PolarHBondContact OE2-OH 2.85Å; E71-K121 CarbonylContact C-O 3.57Å; E71-K121 WeakPolarHBondContact CA-O 3.29Å; E71-K121 HydrophobicContact CB-CD 4.46Å; E71-K121 HydrophobicContact CB-CG 3.84Å; E71-K121 HydrophobicContact CG-CG 4.06Å; E71-K121 WeakPolarHBondContact OE2-CE 3.48Å; E71-K126 IonicContact OE1-NZ 3.51Å; E71-K126 PolarHBondContact OE1-NZ 3.15Å
72L96.1Very high93.9Very high7 Ų745.7 Ų45.74%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-98.6140.6172.5-55.2176.5000108.8E77 F78 A81 F88 C120 K121 L122L72-E77 WeakPolarHBondContact CA-OE2 3.36Å; L72-E77 HydrophobicContact CB-CB 4.29Å; L72-E77 HydrophobicContact CD2-CB 4.28Å; L72-F78 HydrophobicContact CD1-CB 4.38Å; L72-A81 HydrophobicContact CD1-CB 4.13Å; L72-A81 HydrophobicContact CD2-CB 4.32Å; L72-F88 HydrophobicContact CD1-CZ 3.91Å; L72-C120 HydrophobicContact CD1-CB 3.74Å; L72-C120 HydrophobicContact CG-CB 3.89Å; L72-K121 PolarHBondContact N-O 2.83Å; L72-L122 HydrophobicContact CB-CD1 4Å; L72-L122 WeakPolarHBondContact O-CD1 3.5Å
73N94.3Very high93.8Very high80 Ų8047.4 Ų47.443%0.42826%0.258SS..  trans-110.50.7-170.7-66.8-60.4000114.7E77 K126N73-E77 PolarHBondContact N-OE2 3.16Å; N73-K126 HydrophobicContact CB-CD 4.27Å; N73-K126 WeakPolarHBondContact O-CB 3.2Å; N73-K126 PolarHBondContact OD1-NZ 3.41Å
74S94.4Very high93.7Very high33 Ų3349 Ų4923%0.23125%0.254CS..SBendtrans-157.6162.1179.263.40000112.3T76 E77 F78S74-T76 PolarHBondContact O-N 2.63Å; S74-T76 PolarHBondContact OG-N 2.99Å; S74-E77 PolarHBondContact O-N 3.06Å; S74-E77 WeakPolarHBondContact OG-CG 3.25Å; S74-E77 PolarHBondContact OG-N 3.16Å; S74-E77 VanDerWaalsContact OG-N 3.14Å; S74-F78 PolarHBondContact O-N 2.73Å; S74-F78 VanDerWaalsContact O-N 3.14Å
75D92.3Very high93.6Very high33 Ų3348.7 Ų48.718%0.17625%0.252CS..Hα-helixtrans-54.6-37.5166.6-76.7-68.8000111.8F78 F79 A127 Q128 F129 T130D75-F78 WeakPolarHBondContact O-CB 3.49Å; D75-F78 PolarHBondContact O-N 3.37Å; D75-F79 HydrophobicContact CB-CE2 4.28Å; D75-F79 WeakPolarHBondContact O-CD2 3.36Å; D75-F79 PolarHBondContact O-N 3.26Å; D75-A127 VanDerWaalsContact CG-CA 3.48Å; D75-A127 WeakPolarHBondContact OD1-CA 3.37Å; D75-A127 WeakPolarHBondContact OD1-CB 3.14Å; D75-A127 VanDerWaalsContact OD2-CA 3.23Å; D75-A127 WeakPolarHBondContact OD2-CA 3.23Å; D75-Q128 PolarHBondContact OD2-N 2.67Å; D75-F129 PolarHBondContact OD2-N 2.99Å; D75-T130 WeakPolarHBondContact OD1-CB 3.08Å; D75-T130 PolarHBondContact OD1-N 2.55Å; D75-T130 PolarHBondContact OD1-OG1 3.09Å
76T93.8Very high93.5Very high89 Ų8952.5 Ų52.555%0.54626%0.264SS..Hα-helixtrans-62.4-49.7179.7-52.20000111.6S74 F78 F79 E80S74-T76 PolarHBondContact O-N 2.63Å; S74-T76 PolarHBondContact OG-N 2.99Å; T76-F78 VanDerWaalsContact C-N 3.27Å; T76-F78 PolarHBondContact O-N 3.24Å; T76-F79 PolarHBondContact O-N 2.89Å; T76-E80 WeakPolarHBondContact O-CG 3.29Å; T76-E80 PolarHBondContact O-N 3.16Å
77E95.2Very high93.4Very high72 Ų7253.6 Ų53.634%0.33627%0.267SS..Hα-helixtrans-61.6-36.8177.1-75176-15200112L72 N73 S74 E80 A81L72-E77 WeakPolarHBondContact CA-OE2 3.36Å; L72-E77 HydrophobicContact CB-CB 4.29Å; L72-E77 HydrophobicContact CD2-CB 4.28Å; N73-E77 PolarHBondContact N-OE2 3.16Å; S74-E77 PolarHBondContact O-N 3.06Å; S74-E77 WeakPolarHBondContact OG-CG 3.25Å; S74-E77 PolarHBondContact OG-N 3.16Å; S74-E77 VanDerWaalsContact OG-N 3.14Å; E77-E80 PolarHBondContact O-N 3.45Å; E77-A81 VanDerWaalsContact O-CB 3.26Å; E77-A81 WeakPolarHBondContact O-CB 3.32Å; E77-A81 PolarHBondContact O-N 3.33Å
78F94.3Very high93.4Very high1 Ų153 Ų530%0.00426%0.26CS..Hα-helixtrans-57.7-51172.4169.7-95.2000112.1L72 S74 D75 T76 E80 A81 G82 F88 V90 F92 L122 T130 F145L72-F78 HydrophobicContact CD1-CB 4.38Å; S74-F78 PolarHBondContact O-N 2.73Å; S74-F78 VanDerWaalsContact O-N 3.14Å; D75-F78 WeakPolarHBondContact O-CB 3.49Å; D75-F78 PolarHBondContact O-N 3.37Å; T76-F78 VanDerWaalsContact C-N 3.27Å; T76-F78 PolarHBondContact O-N 3.24Å; F78-E80 VanDerWaalsContact C-N 3.35Å; F78-E80 PolarHBondContact O-N 2.86Å; F78-A81 PolarHBondContact O-N 3.41Å; F78-G82 PolarHBondContact O-N 3.06Å; F78-F88 AromaticContact CD2-CE1 3.87Å; F78-F88 HydrophobicContact CD2-CE1 3.87Å; F78-F88 HydrophobicContact CD2-CZ 4.29Å; F78-F88 AromaticContact CE2-CE1 3.74Å; F78-F88 HydrophobicContact CE2-CE1 3.74Å; F78-F88 HydrophobicContact CZ-CE1 4.48Å; F78-V90 HydrophobicContact CD2-CG1 4.44Å; F78-V90 HydrophobicContact CD2-CG2 4.14Å; F78-V90 HydrophobicContact CE2-CB 4.37Å; F78-V90 HydrophobicContact CE2-CG1 4.49Å; F78-V90 HydrophobicContact CE2-CG2 3.87Å; F78-F92 HydrophobicContact CD2-CZ 4.42Å; F78-F92 AromaticContact CE2-CZ 3.93Å; F78-F92 HydrophobicContact CE2-CZ 3.93Å; F78-F92 HydrophobicContact CZ-CZ 4.45Å; F78-L122 HydrophobicContact CB-CD2 3.79Å; F78-L122 HydrophobicContact CD2-CD2 3.85Å; F78-L122 HydrophobicContact CG-CD2 4.02Å; F78-T130 HydrophobicContact CD1-CG2 3.87Å; F78-T130 HydrophobicContact CE1-CG2 3.54Å; F78-T130 HydrophobicContact CE2-CG2 4.21Å; F78-T130 HydrophobicContact CG-CG2 4.35Å; F78-T130 HydrophobicContact CZ-CG2 3.74Å; F78-F145 HydrophobicContact CE2-CE2 4.07Å; F78-F145 HydrophobicContact CE2-CZ 4.05Å; F78-F145 HydrophobicContact CZ-CE1 4.12Å; F78-F145 HydrophobicContact CZ-CE2 4.09Å; F78-F145 AromaticContact CZ-CZ 3.64Å; F78-F145 HydrophobicContact CZ-CZ 3.64Å
79F93.9Very high93.3Very high49 Ų4949.4 Ų49.422%0.21524%0.238CC..Hα-helixtrans-67.3-35.2179.2-69.6-63.9000112.5D75 T76 K83 F129 V214 L216D75-F79 HydrophobicContact CB-CE2 4.28Å; D75-F79 WeakPolarHBondContact O-CD2 3.36Å; D75-F79 PolarHBondContact O-N 3.26Å; T76-F79 PolarHBondContact O-N 2.89Å; F79-K83 WeakPolarHBondContact O-CB 3.18Å; F79-K83 WeakPolarHBondContact O-CG 3.37Å; F79-K83 PolarHBondContact O-N 2.84Å; F79-F129 AromaticContact CE2-CD1 3.89Å; F79-F129 HydrophobicContact CE2-CD1 3.89Å; F79-F129 AromaticContact CE2-CE1 3.97Å; F79-F129 HydrophobicContact CE2-CE1 3.97Å; F79-F129 AromaticContact CZ-CD1 3.94Å; F79-F129 HydrophobicContact CZ-CD1 3.94Å; F79-F129 AromaticContact CZ-CE1 3.75Å; F79-F129 HydrophobicContact CZ-CE1 3.75Å; F79-V214 HydrophobicContact CE1-CG1 4.44Å; F79-L216 HydrophobicContact CB-CD2 4.32Å; F79-L216 HydrophobicContact CD1-CD2 3.62Å; F79-L216 HydrophobicContact CD1-CG 4.1Å; F79-L216 HydrophobicContact CE1-CD2 4.49Å; F79-L216 HydrophobicContact CG-CD2 4.46Å
80E93.7Very high93.2Very high95 Ų9547.7 Ų47.744%0.44423%0.231SC..Hα-helixtrans-67.3-45.4176.1-73.6-176.9-17100112.6T76 E77 F78 K83 R84T76-E80 WeakPolarHBondContact O-CG 3.29Å; T76-E80 PolarHBondContact O-N 3.16Å; E77-E80 PolarHBondContact O-N 3.45Å; F78-E80 VanDerWaalsContact C-N 3.35Å; F78-E80 PolarHBondContact O-N 2.86Å; E80-K83 PolarHBondContact O-N 3.14Å; E80-R84 WeakPolarHBondContact O-CG 3.43Å; E80-R84 PolarHBondContact O-N 2.89Å
81A93.1Very high93.2Very high3 Ų345.7 Ų45.73%0.02522%0.219CC..Hα-helixtrans-61.5-44.7176.600000111.2L72 E77 F78 R84 S85 F88L72-A81 HydrophobicContact CD1-CB 4.13Å; L72-A81 HydrophobicContact CD2-CB 4.32Å; E77-A81 VanDerWaalsContact O-CB 3.26Å; E77-A81 WeakPolarHBondContact O-CB 3.32Å; E77-A81 PolarHBondContact O-N 3.33Å; F78-A81 PolarHBondContact O-N 3.41Å; A81-R84 PolarHBondContact O-N 3Å; A81-S85 WeakPolarHBondContact O-CB 3.32Å; A81-S85 PolarHBondContact O-N 3.43Å; A81-S85 PolarHBondContact O-OG 3.35Å; A81-F88 HydrophobicContact CB-CE1 4.47Å; A81-F88 HydrophobicContact CB-CE2 3.97Å; A81-F88 HydrophobicContact CB-CZ 3.71Å
82G92Very high93.1Very high5 Ų542.2 Ų42.25%0.05220%0.203CC..Hα-helixtrans-65.3-35.1176.800000113.6F78 S85F78-G82 PolarHBondContact O-N 3.06Å; G82-S85 PolarHBondContact O-N 3.08Å
83K91.7Very high92.9Very high112 Ų11242.9 Ų42.949%0.48721%0.205SC..Hα-helixtrans-70.1-32.2176.6-78.3172.3-175.2-174.60113.5F79 E80 S85 L216 Q217F79-K83 WeakPolarHBondContact O-CB 3.18Å; F79-K83 WeakPolarHBondContact O-CG 3.37Å; F79-K83 PolarHBondContact O-N 2.84Å; E80-K83 PolarHBondContact O-N 3.14Å; K83-S85 VanDerWaalsContact C-N 3.32Å; K83-L216 HydrophobicContact CG-CD2 4.16Å; K83-Q217 WeakPolarHBondContact CE-O 3.23Å; K83-Q217 PolarHBondContact NZ-O 3.28Å; K83-Q217 VanDerWaalsContact NZ-O 3.15Å
84R92.1Very high92.6Very high163 Ų16340.5 Ų40.562%0.61520%0.195SC*.Hα-helixtrans-82.6-10.9-179.5-67.3178.7-172.8-171.37.8113.1A64 E80 A81A64-R84 HydrophobicContact CB-CB 4.4Å; E80-R84 WeakPolarHBondContact O-CG 3.43Å; E80-R84 PolarHBondContact O-N 2.89Å; A81-R84 PolarHBondContact O-N 3Å
85S91.5Very high92.1Very high7 Ų744 Ų445%0.04921%0.211CC..  trans-124.7125.9-169.9-48.40000110.3H66 A81 G82 K83 R118H66-S85 WeakPolarHBondContact NE2-CB 3.47Å; H66-S85 PolarHBondContact NE2-OG 2.87Å; A81-S85 WeakPolarHBondContact O-CB 3.32Å; A81-S85 PolarHBondContact O-N 3.43Å; A81-S85 PolarHBondContact O-OG 3.35Å; G82-S85 PolarHBondContact O-N 3.08Å; K83-S85 VanDerWaalsContact C-N 3.32Å; S85-R118 VanDerWaalsContact OG-CD 3.26Å; S85-R118 WeakPolarHBondContact OG-CD 3.18Å
86E89.9Confident91.4Very high102 Ų10246.2 Ų46.248%0.47723%0.234SC..SBendtrans-67.9-45.1175.8-176.5179.4160.700111I146 N147E86-I146 CarbonylContact O-C 3.39Å; E86-I146 WeakPolarHBondContact O-CA 3.43Å; E86-N147 WeakPolarHBondContact CG-OD1 3.33Å; E86-N147 PolarHBondContact O-N 2.93Å
87R91Very high90.9Very high29 Ų2944.5 Ų44.511%0.10922%0.223CC..EExtended strand (participates in β ladder)trans-111.4123.7176.6-59.3175.8-177.9-74.5-6108C117 R118 C178 E179R87-C117 HydrophobicContact CB-CB 3.98Å; R87-R118 PolarHBondContact O-N 2.75Å; R87-C178 PolarHBondContact NH1-O 3.27Å; R87-E179 IonicContact CZ-OE2 3.86Å; R87-E179 PolarHBondContact NH1-O 3.45Å; R87-E179 IonicContact NH1-OE2 3.84Å; R87-E179 IonicContact NH2-OE2 3.7Å; R87-E179 PolarHBondContact NH2-OE2 2.73Å; R87-E179 VanDerWaalsContact NH2-OE2 3.13Å
88F91.7Very high90.3Very high3 Ų347.9 Ų47.91%0.01324%0.239CC..EExtended strand (participates in β ladder)trans-141.3128.6-173.7-178.3-135.7000109.8L72 F78 A81 V90 R118 C120 F145L72-F88 HydrophobicContact CD1-CZ 3.91Å; F78-F88 AromaticContact CD2-CE1 3.87Å; F78-F88 HydrophobicContact CD2-CE1 3.87Å; F78-F88 HydrophobicContact CD2-CZ 4.29Å; F78-F88 AromaticContact CE2-CE1 3.74Å; F78-F88 HydrophobicContact CE2-CE1 3.74Å; F78-F88 HydrophobicContact CZ-CE1 4.48Å; A81-F88 HydrophobicContact CB-CE1 4.47Å; A81-F88 HydrophobicContact CB-CE2 3.97Å; A81-F88 HydrophobicContact CB-CZ 3.71Å; F88-V90 HydrophobicContact CD1-CG2 3.79Å; F88-V90 HydrophobicContact CD2-CG2 4.08Å; F88-V90 HydrophobicContact CE1-CG2 3.24Å; F88-V90 HydrophobicContact CE2-CG2 3.56Å; F88-V90 HydrophobicContact CG-CG2 4.2Å; F88-V90 HydrophobicContact CZ-CG2 3.12Å; F88-R118 WeakPolarHBondContact CA-O 2.94Å; F88-R118 HydrophobicContact CD2-CB 3.87Å; F88-R118 HydrophobicContact CD2-CG 3.94Å; F88-R118 WeakPolarHBondContact CD2-O 2.99Å; F88-R118 HydrophobicContact CE2-CB 4.49Å; F88-R118 HydrophobicContact CE2-CG 4.05Å; F88-C120 HydrophobicContact CE2-CB 3.98Å; F88-C120 HydrophobicContact CZ-CB 4.39Å; F88-F145 HydrophobicContact CB-CB 4.26Å; F88-F145 HydrophobicContact CD1-CD2 4.06Å; F88-F145 PolarHBondContact N-O 3.39Å; F88-F145 WeakPolarHBondContact O-CA 3.25Å; F88-F145 WeakPolarHBondContact O-CB 3.44Å; F88-F145 WeakPolarHBondContact O-CD2 3.39Å; F88-F145 PolarHBondContact O-N 3.45Å
89V92.4Very high89.6Confident2 Ų250.7 Ų50.71%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-125.6126.6-178.9172.20000108.1R118 F119 C120 L142 V143 L175 I180V89-R118 PolarHBondContact N-O 3.44Å; V89-F119 HydrophobicContact CB-CD1 3.7Å; V89-F119 HydrophobicContact CB-CE1 3.8Å; V89-F119 HydrophobicContact CG1-CD1 3.77Å; V89-F119 HydrophobicContact CG1-CE1 3.87Å; V89-F119 HydrophobicContact CG2-CD1 4.43Å; V89-F119 HydrophobicContact CG2-CE1 4.04Å; V89-F119 WeakPolarHBondContact O-CA 3.29Å; V89-C120 PolarHBondContact O-N 2.9Å; V89-L142 HydrophobicContact CG1-CD1 3.38Å; V89-L142 HydrophobicContact CG1-CD2 4.07Å; V89-L142 HydrophobicContact CG1-CG 3.73Å; V89-V143 WeakPolarHBondContact CA-O 3.46Å; V89-L175 HydrophobicContact CG1-CD2 4.18Å; V89-L175 HydrophobicContact CG2-CD2 3.9Å; V89-I180 HydrophobicContact CG2-CD1 3.61Å
90V93.7Very high89.3Confident0 Ų048.6 Ų48.60%024%0.241CC..EExtended strand (participates in β ladder)trans-127.5125.8-176.9-173.30000111.1F78 F88 F92 C120 L122 L142 V143 F145F78-V90 HydrophobicContact CD2-CG1 4.44Å; F78-V90 HydrophobicContact CD2-CG2 4.14Å; F78-V90 HydrophobicContact CE2-CB 4.37Å; F78-V90 HydrophobicContact CE2-CG1 4.49Å; F78-V90 HydrophobicContact CE2-CG2 3.87Å; F88-V90 HydrophobicContact CD1-CG2 3.79Å; F88-V90 HydrophobicContact CD2-CG2 4.08Å; F88-V90 HydrophobicContact CE1-CG2 3.24Å; F88-V90 HydrophobicContact CE2-CG2 3.56Å; F88-V90 HydrophobicContact CG-CG2 4.2Å; F88-V90 HydrophobicContact CZ-CG2 3.12Å; V90-F92 HydrophobicContact CB-CE2 4Å; V90-F92 HydrophobicContact CB-CZ 4.48Å; V90-F92 HydrophobicContact CG1-CD2 4.26Å; V90-F92 HydrophobicContact CG1-CE2 3.91Å; V90-F92 HydrophobicContact CG1-CZ 4.1Å; V90-C120 CarbonylContact C-O 3.52Å; V90-C120 VanDerWaalsContact CA-O 3.31Å; V90-C120 WeakPolarHBondContact CA-O 3.35Å; V90-C120 HydrophobicContact CG2-CB 4.46Å; V90-L122 HydrophobicContact CG1-CB 3.88Å; V90-L142 WeakPolarHBondContact O-CA 3.34Å; V90-V143 PolarHBondContact N-O 3.43Å; V90-V143 PolarHBondContact O-N 3.3Å; V90-F145 HydrophobicContact CG2-CE2 4.36Å
91M93.6Very high89Confident1 Ų149.4 Ų49.41%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-88.1116.8168.3-171.9-171.871.800110Y69 Y93 L103 D104 L107 C120 K121 L122 P140 L142Y69-M91 WeakPolarHBondContact OH-CE 3.37Å; M91-Y93 HydrophobicContact CE-CD1 3.92Å; M91-Y93 HydrophobicContact CE-CG 4.18Å; M91-L103 HydrophobicContact CG-CD2 3.82Å; M91-L103 HydrophobicContact CG-CG 4.46Å; M91-L103 HydrophobicContact SD-CB 3.94Å; M91-L103 HydrophobicContact SD-CD2 3.54Å; M91-L103 VanDerWaalsContact SD-CD2 3.54Å; M91-L103 HydrophobicContact SD-CG 3.71Å; M91-D104 WeakPolarHBondContact CE-OD1 3.36Å; M91-L107 HydrophobicContact CB-CD1 3.84Å; M91-L107 HydrophobicContact CG-CD1 4.42Å; M91-L107 HydrophobicContact SD-CD1 4.22Å; M91-C120 PolarHBondContact N-O 2.86Å; M91-K121 HydrophobicContact CB-CB 4.4Å; M91-K121 HydrophobicContact CE-CB 4.02Å; M91-K121 HydrophobicContact CE-CD 4.39Å; M91-K121 CarbonylContact O-C 3.53Å; M91-K121 VanDerWaalsContact O-CA 3.32Å; M91-K121 WeakPolarHBondContact O-CA 3.38Å; M91-L122 PolarHBondContact O-N 3.35Å; M91-P140 HydrophobicContact CG-CB 4.28Å; M91-P140 HydrophobicContact SD-CB 4.35Å; M91-L142 HydrophobicContact CB-CD1 3.96Å
92F93.4Very high88.7Confident0 Ų050.1 Ų50.10%025%0.248CC..EExtended strand (participates in β ladder)trans-90.1122.9171-67-93.9000109.8F78 V90 L122 I124 T130 V131 L134 L136 F139 P140 T141 V143F78-F92 HydrophobicContact CD2-CZ 4.42Å; F78-F92 AromaticContact CE2-CZ 3.93Å; F78-F92 HydrophobicContact CE2-CZ 3.93Å; F78-F92 HydrophobicContact CZ-CZ 4.45Å; V90-F92 HydrophobicContact CB-CE2 4Å; V90-F92 HydrophobicContact CB-CZ 4.48Å; V90-F92 HydrophobicContact CG1-CD2 4.26Å; V90-F92 HydrophobicContact CG1-CE2 3.91Å; V90-F92 HydrophobicContact CG1-CZ 4.1Å; F92-L122 WeakPolarHBondContact CA-O 3.37Å; F92-L122 HydrophobicContact CD1-CB 4.4Å; F92-L122 HydrophobicContact CD1-CD2 4.38Å; F92-L122 HydrophobicContact CD1-CG 4.46Å; F92-L122 HydrophobicContact CE1-CB 4.45Å; F92-L122 HydrophobicContact CE1-CD2 3.76Å; F92-L122 HydrophobicContact CE1-CG 4.32Å; F92-L122 HydrophobicContact CZ-CD2 4.41Å; F92-I124 HydrophobicContact CB-CG2 4.22Å; F92-T130 HydrophobicContact CE1-CG2 3.74Å; F92-T130 HydrophobicContact CZ-CG2 3.68Å; F92-V131 HydrophobicContact CD1-CG2 4.09Å; F92-V131 HydrophobicContact CE1-CG2 4.45Å; F92-L134 HydrophobicContact CE1-CD1 4.39Å; F92-L134 HydrophobicContact CE2-CD1 3.85Å; F92-L134 HydrophobicContact CZ-CD1 3.59Å; F92-L136 HydrophobicContact CB-CD1 3.79Å; F92-L136 HydrophobicContact CD1-CD1 3.67Å; F92-L136 HydrophobicContact CD2-CD1 3.55Å; F92-L136 HydrophobicContact CE1-CD1 4.08Å; F92-L136 HydrophobicContact CE2-CD1 3.99Å; F92-L136 HydrophobicContact CG-CD1 3.37Å; F92-L136 HydrophobicContact CZ-CD1 4.24Å; F92-F139 HydrophobicContact CB-CD1 4.24Å; F92-F139 HydrophobicContact CB-CE1 4.33Å; F92-P140 VanDerWaalsContact O-CA 3.32Å; F92-P140 WeakPolarHBondContact O-CA 3.31Å; F92-T141 PolarHBondContact N-O 3.42Å; F92-T141 PolarHBondContact O-N 2.9Å; F92-T141 VanDerWaalsContact O-N 3.08Å; F92-V143 HydrophobicContact CD2-CB 4.45Å; F92-V143 HydrophobicContact CD2-CG2 3.76Å; F92-V143 HydrophobicContact CE2-CB 4.04Å; F92-V143 HydrophobicContact CE2-CG2 3.69Å
93Y92.8Very high88.5Confident21 Ų2150.3 Ų50.38%0.08225%0.248CC..EExtended strand (participates in β ladder)trans-133.3151.9-179.371.4-78.4000111.8E71 M91 K121 L122 N123 I124E71-Y93 PolarHBondContact OE1-OH 3.19Å; E71-Y93 PolarHBondContact OE2-OH 2.85Å; M91-Y93 HydrophobicContact CE-CD1 3.92Å; M91-Y93 HydrophobicContact CE-CG 4.18Å; Y93-K121 HydrophobicContact CD1-CB 4.11Å; Y93-K121 HydrophobicContact CE1-CB 3.85Å; Y93-K121 HydrophobicContact CE1-CD 3.95Å; Y93-K121 HydrophobicContact CE1-CG 3.94Å; Y93-L122 WeakPolarHBondContact CD1-O 3.27Å; Y93-L122 VanDerWaalsContact CE1-C 3.48Å; Y93-L122 PolarHBondContact N-O 2.8Å; Y93-L122 VanDerWaalsContact N-O 3.13Å; Y93-N123 HydrophobicContact CE1-CB 4.22Å; Y93-N123 HydrophobicContact CE2-CB 4.24Å; Y93-N123 CarbonylContact O-C 3.57Å; Y93-N123 WeakPolarHBondContact O-CA 3.39Å; Y93-I124 WeakPolarHBondContact O-CG2 3.31Å; Y93-I124 PolarHBondContact O-N 3.23Å
94S88.9Confident88.5Confident30 Ų3046.2 Ų46.221%0.2123%0.231CC..SBendtrans-98-70.2173.5-171.20000110.2N123 I124 H125S94-N123 PolarHBondContact O-ND2 2.94Å; S94-I124 VanDerWaalsContact CB-CD1 3.5Å; S94-I124 WeakPolarHBondContact OG-CD1 3.49Å; S94-H125 PolarHBondContact OG-NE2 2.97Å
95N82.7Confident88.5Confident107 Ų10741.6 Ų41.657%0.57222%0.224SC*.SBendtrans-116.7150.6-178.2-61.5-14.7000109.1T97 C100N95-T97 PolarHBondContact O-N 3.15Å; N95-C100 PolarHBondContact O-SG 3.48Å
96A78.9Confident88.4Confident79 Ų7942.6 Ų42.665%0.65323%0.228SC*.  trans-72.372.3178.400000111.2
97T82.7Confident88.5Confident53 Ų5337.8 Ų37.833%0.32521%0.206SC..  trans-76.216017259.30000110.5N95 R99 C100 Q101N95-T97 PolarHBondContact O-N 3.15Å; T97-R99 PolarHBondContact O-N 3.49Å; T97-R99 VanDerWaalsContact O-N 3.15Å; T97-C100 WeakPolarHBondContact O-CA 3.38Å; T97-C100 WeakPolarHBondContact O-CB 3.26Å; T97-C100 PolarHBondContact O-N 3.35Å; T97-C100 PolarHBondContact OG1-SG 3.5Å; T97-Q101 PolarHBondContact O-N 3.19Å; T97-Q101 VanDerWaalsContact O-N 3.09Å
98E81.8Confident88.7Confident143 Ų14339.3 Ų39.367%0.66822%0.215SC*.Hα-helixtrans-53.1-36.7176.4-64.9-179.8174.900112.4C100 Q101 L102 V161E98-C100 VanDerWaalsContact C-N 3.34Å; E98-C100 PolarHBondContact O-N 2.92Å; E98-Q101 PolarHBondContact O-N 2.92Å; E98-L102 WeakPolarHBondContact O-CB 3.15Å; E98-L102 PolarHBondContact O-N 3.42Å; E98-V161 HydrophobicContact CB-CG1 4.18Å
99R79.9Confident88.7Confident61 Ų6142.3 Ų42.323%0.2323%0.234CC..Hα-helixtrans-58.9-42.8174-65.2-176.7-74.5-179.8-4112.6T97 L103 P140 V161T97-R99 PolarHBondContact O-N 3.49Å; T97-R99 VanDerWaalsContact O-N 3.15Å; R99-L103 WeakPolarHBondContact O-CB 3.5Å; R99-L103 PolarHBondContact O-N 3.28Å; R99-P140 HydrophobicContact CB-CG 4.25Å; R99-V161 HydrophobicContact CG-CB 4.1Å; R99-V161 HydrophobicContact CG-CG1 4.1Å; R99-V161 HydrophobicContact CG-CG2 3.58Å
100C87.2Confident88.6Confident5 Ų542.3 Ų42.33%0.03423%0.234CC..Hα-helixtrans-68.6-39178.8-59.70000110.8N95 T97 E98 L103 D104N95-C100 PolarHBondContact O-SG 3.48Å; T97-C100 WeakPolarHBondContact O-CA 3.38Å; T97-C100 WeakPolarHBondContact O-CB 3.26Å; T97-C100 PolarHBondContact O-N 3.35Å; T97-C100 PolarHBondContact OG1-SG 3.5Å; E98-C100 VanDerWaalsContact C-N 3.34Å; E98-C100 PolarHBondContact O-N 2.92Å; C100-L103 PolarHBondContact O-N 3Å; C100-D104 VanDerWaalsContact O-CB 3.3Å; C100-D104 WeakPolarHBondContact O-CB 3.5Å; C100-D104 PolarHBondContact O-N 3.48Å
101Q88.4Confident88.6Confident111 Ų11142.3 Ų42.352%0.51923%0.234SC..Hα-helixtrans-67.4-39.1178-64.6177.2100112.3T97 E98 S105T97-Q101 PolarHBondContact O-N 3.19Å; T97-Q101 VanDerWaalsContact O-N 3.09Å; E98-Q101 PolarHBondContact O-N 2.92Å; Q101-S105 PolarHBondContact O-N 2.66Å; Q101-S105 PolarHBondContact O-OG 3.33Å
102L86.7Confident88.5Confident19 Ų1951.3 Ų51.310%0.09927%0.268CS..Hα-helixtrans-63.1-49.3174.4-178.159.2000110.7E98 D104 S105 H106 V161 K163 L166E98-L102 WeakPolarHBondContact O-CB 3.15Å; E98-L102 PolarHBondContact O-N 3.42Å; L102-D104 PolarHBondContact O-N 3.46Å; L102-S105 WeakPolarHBondContact O-CB 3.32Å; L102-S105 PolarHBondContact O-N 2.84Å; L102-S105 VanDerWaalsContact O-N 3.17Å; L102-H106 WeakPolarHBondContact CD1-NE2 3.49Å; L102-H106 PolarHBondContact O-CD2 2.66Å; L102-H106 PolarHBondContact O-N 3.45Å; L102-H106 VanDerWaalsContact O-N 3.16Å; L102-V161 WeakPolarHBondContact CD2-O 3.39Å; L102-K163 HydrophobicContact CD1-CD 4.42Å; L102-K163 HydrophobicContact CD1-CG 3.76Å; L102-K163 HydrophobicContact CD2-CG 4.29Å; L102-L166 HydrophobicContact CD2-CB 4.11Å; L102-L166 HydrophobicContact CD2-CD2 4.11Å; L102-L166 HydrophobicContact CG-CD2 4.28Å
103L87.8Confident88.4Confident8 Ų855.5 Ų55.54%0.04229%0.286CS..Hα-helixtrans-63.6-40.6178.4-17355.7000111.8M91 R99 C100 S105 H106 L107 P140 L166 I171M91-L103 HydrophobicContact CG-CD2 3.82Å; M91-L103 HydrophobicContact CG-CG 4.46Å; M91-L103 HydrophobicContact SD-CB 3.94Å; M91-L103 HydrophobicContact SD-CD2 3.54Å; M91-L103 VanDerWaalsContact SD-CD2 3.54Å; M91-L103 HydrophobicContact SD-CG 3.71Å; R99-L103 WeakPolarHBondContact O-CB 3.5Å; R99-L103 PolarHBondContact O-N 3.28Å; C100-L103 PolarHBondContact O-N 3Å; L103-S105 VanDerWaalsContact C-N 3.29Å; L103-S105 PolarHBondContact O-N 2.98Å; L103-H106 PolarHBondContact O-N 2.99Å; L103-L107 HydrophobicContact CD1-CD1 4.19Å; L103-L107 HydrophobicContact CD1-CG 4.11Å; L103-L107 HydrophobicContact CG-CD1 3.84Å; L103-L107 HydrophobicContact CG-CG 4.24Å; L103-L107 WeakPolarHBondContact O-CB 3.41Å; L103-L107 VanDerWaalsContact O-CG 3.24Å; L103-L107 WeakPolarHBondContact O-CG 3.47Å; L103-L107 PolarHBondContact O-N 2.98Å; L103-P140 HydrophobicContact CD2-CB 4.34Å; L103-L166 HydrophobicContact CD1-CD2 4.46Å; L103-I171 HydrophobicContact CD1-CD1 3.68Å; L103-I171 HydrophobicContact CD1-CG1 4.5Å
104D91.9Very high88.2Confident26 Ų2654.7 Ų54.714%0.13928%0.283CS..Hα-helixtrans-54.3-45.5172.3-89.6-1.3000111Y69 M91 C100 L102 H106 L107 I108 K121Y69-D104 HydrophobicContact CE1-CB 4.12Å; Y69-D104 WeakPolarHBondContact CE1-OD1 3.17Å; Y69-D104 VanDerWaalsContact CZ-OD1 3.26Å; Y69-D104 PolarHBondContact OH-OD1 3.32Å; M91-D104 WeakPolarHBondContact CE-OD1 3.36Å; C100-D104 VanDerWaalsContact O-CB 3.3Å; C100-D104 WeakPolarHBondContact O-CB 3.5Å; C100-D104 PolarHBondContact O-N 3.48Å; L102-D104 PolarHBondContact O-N 3.46Å; D104-H106 PolarHBondContact O-N 2.79Å; D104-L107 PolarHBondContact O-N 3.35Å; D104-I108 WeakPolarHBondContact O-CB 3.31Å; D104-I108 WeakPolarHBondContact O-CD1 3.46Å; D104-I108 WeakPolarHBondContact O-CG1 3.35Å; D104-I108 PolarHBondContact O-N 3.19Å; D104-K121 IonicContact OD2-NZ 3.57Å; D104-K121 PolarHBondContact OD2-NZ 2.76Å
105S91.2Very high88.3Confident67 Ų6755 Ų5547%0.46928%0.282SS..Hα-helixtrans-62.2-42180-58.50000112.4Q101 L102 L103 T109Q101-S105 PolarHBondContact O-N 2.66Å; Q101-S105 PolarHBondContact O-OG 3.33Å; L102-S105 WeakPolarHBondContact O-CB 3.32Å; L102-S105 PolarHBondContact O-N 2.84Å; L102-S105 VanDerWaalsContact O-N 3.17Å; L103-S105 VanDerWaalsContact C-N 3.29Å; L103-S105 PolarHBondContact O-N 2.98Å; S105-T109 PolarHBondContact O-N 3.03Å; S105-T109 PolarHBondContact O-OG1 3.49Å
106H90Very high88.6Confident28 Ų2851.7 Ų51.713%0.1326%0.263CS..Hα-helixtrans-68.1-43.8175.7-68-58.3000111.8L102 L103 D104 I108 T109 L110 L166 L168 I171L102-H106 WeakPolarHBondContact CD1-NE2 3.49Å; L102-H106 PolarHBondContact O-CD2 2.66Å; L102-H106 PolarHBondContact O-N 3.45Å; L102-H106 VanDerWaalsContact O-N 3.16Å; L103-H106 PolarHBondContact O-N 2.99Å; D104-H106 PolarHBondContact O-N 2.79Å; H106-I108 PolarHBondContact O-N 2.68Å; H106-T109 WeakPolarHBondContact O-CB 3.42Å; H106-T109 PolarHBondContact O-N 2.84Å; H106-T109 VanDerWaalsContact O-N 3.13Å; H106-L110 WeakPolarHBondContact O-CG 3.15Å; H106-L110 PolarHBondContact O-N 2.75Å; H106-L166 PolarHBondContact NE2-O 2.98Å; H106-L168 HydrophobicContact CB-CD1 3.99Å; H106-I171 HydrophobicContact CB-CD1 3.53Å
107L92.3Very high89.2Confident1 Ų148 Ų481%0.00523%0.232CC..Hα-helixtrans-67.2-34.2180-66.9173.8000112.6Y69 M91 L103 D104 T109 L110 S111 F119 L142Y69-L107 HydrophobicContact CD2-CB 4.08Å; Y69-L107 HydrophobicContact CE2-CB 3.74Å; Y69-L107 HydrophobicContact CE2-CD1 3.89Å; Y69-L107 HydrophobicContact CE2-CG 4.46Å; Y69-L107 WeakPolarHBondContact OH-CD1 3.3Å; M91-L107 HydrophobicContact CB-CD1 3.84Å; M91-L107 HydrophobicContact CG-CD1 4.42Å; M91-L107 HydrophobicContact SD-CD1 4.22Å; L103-L107 HydrophobicContact CD1-CD1 4.19Å; L103-L107 HydrophobicContact CD1-CG 4.11Å; L103-L107 HydrophobicContact CG-CD1 3.84Å; L103-L107 HydrophobicContact CG-CG 4.24Å; L103-L107 WeakPolarHBondContact O-CB 3.41Å; L103-L107 VanDerWaalsContact O-CG 3.24Å; L103-L107 WeakPolarHBondContact O-CG 3.47Å; L103-L107 PolarHBondContact O-N 2.98Å; D104-L107 PolarHBondContact O-N 3.35Å; L107-T109 VanDerWaalsContact C-N 3.32Å; L107-T109 PolarHBondContact O-N 3.12Å; L107-L110 HydrophobicContact CD2-CD1 4.39Å; L107-L110 PolarHBondContact O-N 3.24Å; L107-S111 VanDerWaalsContact O-CB 3.25Å; L107-S111 WeakPolarHBondContact O-CB 3.4Å; L107-S111 PolarHBondContact O-N 3.38Å; L107-S111 PolarHBondContact O-OG 2.86Å; L107-F119 HydrophobicContact CD2-CD1 3.87Å; L107-F119 HydrophobicContact CD2-CE1 4.13Å; L107-L142 HydrophobicContact CD1-CD1 3.77Å; L107-L142 HydrophobicContact CD2-CD1 3.97Å; L107-L142 HydrophobicContact CD2-CD2 4.19Å
108I94.6Very high89.8Confident60 Ų6046.9 Ų46.931%0.30822%0.222SC..Hα-helixtrans-59.4-46.8170.1-70161.2000110Y69 D104 H106 S111 R112Y69-I108 HydrophobicContact CD1-CD1 4.31Å; Y69-I108 HydrophobicContact CD1-CG1 3.59Å; Y69-I108 HydrophobicContact CE1-CG1 4.43Å; Y69-I108 HydrophobicContact CG-CG1 4.04Å; D104-I108 WeakPolarHBondContact O-CB 3.31Å; D104-I108 WeakPolarHBondContact O-CD1 3.46Å; D104-I108 WeakPolarHBondContact O-CG1 3.35Å; D104-I108 PolarHBondContact O-N 3.19Å; H106-I108 PolarHBondContact O-N 2.68Å; I108-S111 PolarHBondContact O-N 3.41Å; I108-S111 PolarHBondContact O-OG 3.05Å; I108-R112 PolarHBondContact O-N 3.32Å
109T92.4Very high90.4Very high67 Ų6740.1 Ų40.141%0.41119%0.19SC..Hα-helixtrans-63.9-44.9179.5-55.60000111.4S105 H106 L107 R112 K113 L168S105-T109 PolarHBondContact O-N 3.03Å; S105-T109 PolarHBondContact O-OG1 3.49Å; H106-T109 WeakPolarHBondContact O-CB 3.42Å; H106-T109 PolarHBondContact O-N 2.84Å; H106-T109 VanDerWaalsContact O-N 3.13Å; L107-T109 VanDerWaalsContact C-N 3.32Å; L107-T109 PolarHBondContact O-N 3.12Å; T109-R112 PolarHBondContact O-N 3.34Å; T109-K113 PolarHBondContact O-N 2.95Å; T109-L168 HydrophobicContact CG2-CD1 4.28Å; T109-L168 HydrophobicContact CG2-CD2 3.8Å
110L90.7Very high91.2Very high1 Ų137.2 Ų37.21%0.00518%0.179CC..Hα-helixtrans-66.4-38.7178.6-68.7166.2000112.2H106 L107 R112 K113 H114 F119 L168 I171 E172 L175H106-L110 WeakPolarHBondContact O-CG 3.15Å; H106-L110 PolarHBondContact O-N 2.75Å; L107-L110 HydrophobicContact CD2-CD1 4.39Å; L107-L110 PolarHBondContact O-N 3.24Å; L110-R112 PolarHBondContact O-N 2.94Å; L110-K113 PolarHBondContact O-N 2.93Å; L110-H114 WeakPolarHBondContact O-CB 3.43Å; L110-H114 PolarHBondContact O-CD2 2.66Å; L110-H114 PolarHBondContact O-N 3.46Å; L110-F119 HydrophobicContact CB-CE1 4.35Å; L110-F119 HydrophobicContact CB-CZ 4.19Å; L110-L168 HydrophobicContact CD1-CD1 4.05Å; L110-L168 HydrophobicContact CD2-CD1 3.85Å; L110-L168 HydrophobicContact CG-CD1 3.63Å; L110-I171 HydrophobicContact CD1-CB 4.22Å; L110-I171 HydrophobicContact CD1-CG2 3.55Å; L110-E172 HydrophobicContact CD2-CB 3.98Å; L110-E172 HydrophobicContact CD2-CG 4.13Å; L110-L175 HydrophobicContact CD1-CD1 3.83Å
111S92.5Very high91.6Very high1 Ų139 Ų391%0.00719%0.187CC..Hα-helixtrans-58.1-37.1178.673.20000112.5G67 L107 I108 F119G67-S111 CarbonylContact C-O 3.59Å; G67-S111 VanDerWaalsContact CA-O 3.22Å; G67-S111 WeakPolarHBondContact CA-O 3.32Å; L107-S111 VanDerWaalsContact O-CB 3.25Å; L107-S111 WeakPolarHBondContact O-CB 3.4Å; L107-S111 PolarHBondContact O-N 3.38Å; L107-S111 PolarHBondContact O-OG 2.86Å; I108-S111 PolarHBondContact O-N 3.41Å; I108-S111 PolarHBondContact O-OG 3.05Å; S111-F119 VanDerWaalsContact CA-CD2 3.5Å
112R92.2Very high91.9Very high189 Ų18933.7 Ų33.771%0.71316%0.162SC*.Hα-helixtrans-74.7-31.2177.2-64.8173.8-177.9172.30.6112.5I108 T109 L110I108-R112 PolarHBondContact O-N 3.32Å; T109-R112 PolarHBondContact O-N 3.34Å; L110-R112 PolarHBondContact O-N 2.94Å
113K90.1Very high92.3Very high89 Ų8934 Ų3439%0.38716%0.164SC..Hα-helixtrans-80.7-35.1-178.1-169.9179.4179-174.10112.4T109 L110 E172T109-K113 PolarHBondContact O-N 2.95Å; L110-K113 PolarHBondContact O-N 2.93Å; K113-E172 WeakPolarHBondContact CE-OE1 3.46Å; K113-E172 IonicContact NZ-OE1 3.03Å; K113-E172 PolarHBondContact NZ-OE1 3.03Å; K113-E172 IonicContact NZ-OE2 2.86Å; K113-E172 PolarHBondContact NZ-OE2 3.33Å
114H89.8Confident92.6Very high4 Ų434.6 Ų34.62%0.01917%0.167CC..  trans-113.575.6-173.4-64.6-64.8000111.4L110 E116 C117 F119 E172 I180 S182L110-H114 WeakPolarHBondContact O-CB 3.43Å; L110-H114 PolarHBondContact O-CD2 2.66Å; L110-H114 PolarHBondContact O-N 3.46Å; H114-E116 VanDerWaalsContact C-OE2 3.31Å; H114-E116 WeakPolarHBondContact CA-OE2 3.05Å; H114-E116 IonicContact CG-OE1 2.74Å; H114-E116 IonicContact ND1-OE1 2.66Å; H114-E116 PolarHBondContact ND1-OE1 3Å; H114-E116 PolarHBondContact O-N 3.22Å; H114-C117 HydrophobicContact CB-CB 4.45Å; H114-C117 PolarHBondContact O-N 3.42Å; H114-C117 VanDerWaalsContact O-N 3.12Å; H114-C117 VanDerWaalsContact O-O 3.05Å; H114-F119 HydrophobicContact CB-CE2 3.93Å; H114-F119 HydrophobicContact CB-CZ 4.36Å; H114-E172 IonicContact CE1-OE1 3.02Å; H114-E172 IonicContact NE2-OE1 3.35Å; H114-I180 HydrophobicContact CB-CG2 4.09Å; H114-S182 VanDerWaalsContact CE1-CB 3.42Å; H114-S182 WeakPolarHBondContact CE1-CB 2.9Å; H114-S182 PolarHBondContact CE1-OG 2.74Å
115L90.4Very high92.6Very high36 Ų3638.8 Ų38.819%0.18819%0.185CC..THydrogen-bonded Turntrans-66.7-20.4-179.4-16967.6000112.8K58 W61 V62 H66 C117K58-L115 HydrophobicContact CB-CD2 4.34Å; K58-L115 HydrophobicContact CD-CD2 4.41Å; K58-L115 HydrophobicContact CG-CD2 3.47Å; K58-L115 VanDerWaalsContact CG-CD2 3.47Å; W61-L115 HydrophobicContact CB-CG 4.15Å; W61-L115 WeakPolarHBondContact CB-O 3.36Å; W61-L115 HydrophobicContact CE3-CB 4.36Å; W61-L115 HydrophobicContact CE3-CD2 4.22Å; W61-L115 HydrophobicContact CE3-CG 4.09Å; V62-L115 HydrophobicContact CG2-CD1 4.08Å; V62-L115 HydrophobicContact CG2-CD2 4.23Å; H66-L115 HydrophobicContact CB-CD1 4.08Å; H66-L115 VanDerWaalsContact CB-O 3.27Å; H66-L115 WeakPolarHBondContact CB-O 3.31Å; H66-L115 PolarHBondContact ND1-O 2.8Å; L115-C117 PolarHBondContact O-N 3.19Å
116E89.5Confident92.7Very high38 Ų3839.5 Ų39.518%0.17818%0.18CC..THydrogen-bonded Turntrans-69.7-13.3174.967.8-80.5-174.200113.9W61 H114W61-E116 HydrophobicContact CH2-CB 3.9Å; W61-E116 HydrophobicContact CZ2-CB 3.9Å; W61-E116 HydrophobicContact CZ3-CB 4.24Å; H114-E116 VanDerWaalsContact C-OE2 3.31Å; H114-E116 WeakPolarHBondContact CA-OE2 3.05Å; H114-E116 IonicContact CG-OE1 2.74Å; H114-E116 IonicContact ND1-OE1 2.66Å; H114-E116 PolarHBondContact ND1-OE1 3Å; H114-E116 PolarHBondContact O-N 3.22Å
117C91.9Very high92.7Very high0 Ų038.2 Ų38.20%017%0.174CC..EExtended strand (participates in β ladder)trans-124.8133.2-176.2-176.20000111.2H66 R87 H114 L115 F119 I180H66-C117 VanDerWaalsContact ND1-C 3.28Å; R87-C117 HydrophobicContact CB-CB 3.98Å; H114-C117 HydrophobicContact CB-CB 4.45Å; H114-C117 PolarHBondContact O-N 3.42Å; H114-C117 VanDerWaalsContact O-N 3.12Å; H114-C117 VanDerWaalsContact O-O 3.05Å; L115-C117 PolarHBondContact O-N 3.19Å; C117-F119 HydrophobicContact CB-CD2 4.46Å; C117-F119 HydrophobicContact CB-CE2 3.73Å; C117-F119 HydrophobicContact CB-CZ 4.17Å; C117-F119 VanDerWaalsContact O-CD2 3.31Å; C117-F119 WeakPolarHBondContact O-CD2 3.02Å; C117-I180 HydrophobicContact CB-CD1 4.44Å; C117-I180 HydrophobicContact CB-CG1 4.27Å; C117-I180 HydrophobicContact CB-CG2 4.25Å
118R93.9Very high92.7Very high31 Ų3144.4 Ų44.412%0.11720%0.203CC..EExtended strand (participates in β ladder)trans-87127.5174.9-176.8168.2-176.8163.4-1.4110A64 H66 S85 R87 F88 V89A64-R118 PolarHBondContact O-NH1 3.13Å; H66-R118 PolarHBondContact CE1-N 3.43Å; H66-R118 PolarHBondContact ND1-N 2.85Å; S85-R118 VanDerWaalsContact OG-CD 3.26Å; S85-R118 WeakPolarHBondContact OG-CD 3.18Å; R87-R118 PolarHBondContact O-N 2.75Å; F88-R118 WeakPolarHBondContact CA-O 2.94Å; F88-R118 HydrophobicContact CD2-CB 3.87Å; F88-R118 HydrophobicContact CD2-CG 3.94Å; F88-R118 WeakPolarHBondContact CD2-O 2.99Å; F88-R118 HydrophobicContact CE2-CB 4.49Å; F88-R118 HydrophobicContact CE2-CG 4.05Å; V89-R118 PolarHBondContact N-O 3.44Å
119F95.2Very high92.6Very high0 Ų046.6 Ų46.60%021%0.21CC..EExtended strand (participates in β ladder)trans-111.2129.1177-67.7-92.3000110.3Y69 V89 L107 L110 S111 H114 C117 L175Y69-F119 HydrophobicContact CD2-CB 3.88Å; Y69-F119 HydrophobicContact CE2-CB 4.48Å; V89-F119 HydrophobicContact CB-CD1 3.7Å; V89-F119 HydrophobicContact CB-CE1 3.8Å; V89-F119 HydrophobicContact CG1-CD1 3.77Å; V89-F119 HydrophobicContact CG1-CE1 3.87Å; V89-F119 HydrophobicContact CG2-CD1 4.43Å; V89-F119 HydrophobicContact CG2-CE1 4.04Å; V89-F119 WeakPolarHBondContact O-CA 3.29Å; L107-F119 HydrophobicContact CD2-CD1 3.87Å; L107-F119 HydrophobicContact CD2-CE1 4.13Å; L110-F119 HydrophobicContact CB-CE1 4.35Å; L110-F119 HydrophobicContact CB-CZ 4.19Å; S111-F119 VanDerWaalsContact CA-CD2 3.5Å; H114-F119 HydrophobicContact CB-CE2 3.93Å; H114-F119 HydrophobicContact CB-CZ 4.36Å; C117-F119 HydrophobicContact CB-CD2 4.46Å; C117-F119 HydrophobicContact CB-CE2 3.73Å; C117-F119 HydrophobicContact CB-CZ 4.17Å; C117-F119 VanDerWaalsContact O-CD2 3.31Å; C117-F119 WeakPolarHBondContact O-CD2 3.02Å; F119-L175 HydrophobicContact CE1-CD1 3.66Å; F119-L175 HydrophobicContact CZ-CD1 4Å
120C96.2Very high92.4Very high0 Ų043.6 Ų43.60%019%0.192CC..EExtended strand (participates in β ladder)trans-139.7164.6178.1-660000111.7T70 L72 F88 V89 V90 M91T70-C120 CarbonylContact O-C 3.39Å; T70-C120 WeakPolarHBondContact O-CA 3.47Å; T70-C120 WeakPolarHBondContact O-CB 3.44Å; T70-C120 PolarHBondContact OG1-SG 3.45Å; L72-C120 HydrophobicContact CD1-CB 3.74Å; L72-C120 HydrophobicContact CG-CB 3.89Å; F88-C120 HydrophobicContact CE2-CB 3.98Å; F88-C120 HydrophobicContact CZ-CB 4.39Å; V89-C120 PolarHBondContact O-N 2.9Å; V90-C120 CarbonylContact C-O 3.52Å; V90-C120 VanDerWaalsContact CA-O 3.31Å; V90-C120 WeakPolarHBondContact CA-O 3.35Å; V90-C120 HydrophobicContact CG2-CB 4.46Å; M91-C120 PolarHBondContact N-O 2.86Å
121K95.7Very high92.4Very high42 Ų4244.6 Ų44.618%0.18320%0.198CC..EExtended strand (participates in β ladder)trans-120.5151.216562.5-178.5-178.3179.80111.2Y69 T70 E71 L72 M91 Y93 D104Y69-K121 HydrophobicContact CE1-CB 4.41Å; Y69-K121 HydrophobicContact CE1-CD 3.86Å; Y69-K121 HydrophobicContact CE1-CG 4.26Å; Y69-K121 HydrophobicContact CE2-CB 4.3Å; Y69-K121 WeakPolarHBondContact OH-CB 3.41Å; T70-K121 PolarHBondContact O-N 3.2Å; E71-K121 CarbonylContact C-O 3.57Å; E71-K121 WeakPolarHBondContact CA-O 3.29Å; E71-K121 HydrophobicContact CB-CD 4.46Å; E71-K121 HydrophobicContact CB-CG 3.84Å; E71-K121 HydrophobicContact CG-CG 4.06Å; E71-K121 WeakPolarHBondContact OE2-CE 3.48Å; L72-K121 PolarHBondContact N-O 2.83Å; M91-K121 HydrophobicContact CB-CB 4.4Å; M91-K121 HydrophobicContact CE-CB 4.02Å; M91-K121 HydrophobicContact CE-CD 4.39Å; M91-K121 CarbonylContact O-C 3.53Å; M91-K121 VanDerWaalsContact O-CA 3.32Å; M91-K121 WeakPolarHBondContact O-CA 3.38Å; Y93-K121 HydrophobicContact CD1-CB 4.11Å; Y93-K121 HydrophobicContact CE1-CB 3.85Å; Y93-K121 HydrophobicContact CE1-CD 3.95Å; Y93-K121 HydrophobicContact CE1-CG 3.94Å; D104-K121 IonicContact OD2-NZ 3.57Å; D104-K121 PolarHBondContact OD2-NZ 2.76Å
122L95.8Very high92.3Very high0 Ų053.1 Ų53.10%024%0.235CC..EExtended strand (participates in β ladder)trans-142.7124.6-178.5-178.552.4000110.2L72 F78 V90 M91 F92 Y93 A127L72-L122 HydrophobicContact CB-CD1 4Å; L72-L122 WeakPolarHBondContact O-CD1 3.5Å; F78-L122 HydrophobicContact CB-CD2 3.79Å; F78-L122 HydrophobicContact CD2-CD2 3.85Å; F78-L122 HydrophobicContact CG-CD2 4.02Å; V90-L122 HydrophobicContact CG1-CB 3.88Å; M91-L122 PolarHBondContact O-N 3.35Å; F92-L122 WeakPolarHBondContact CA-O 3.37Å; F92-L122 HydrophobicContact CD1-CB 4.4Å; F92-L122 HydrophobicContact CD1-CD2 4.38Å; F92-L122 HydrophobicContact CD1-CG 4.46Å; F92-L122 HydrophobicContact CE1-CB 4.45Å; F92-L122 HydrophobicContact CE1-CD2 3.76Å; F92-L122 HydrophobicContact CE1-CG 4.32Å; F92-L122 HydrophobicContact CZ-CD2 4.41Å; Y93-L122 WeakPolarHBondContact CD1-O 3.27Å; Y93-L122 VanDerWaalsContact CE1-C 3.48Å; Y93-L122 PolarHBondContact N-O 2.8Å; Y93-L122 VanDerWaalsContact N-O 3.13Å; L122-A127 HydrophobicContact CD1-CB 3.76Å; L122-A127 HydrophobicContact CD2-CB 3.42Å; L122-A127 VanDerWaalsContact CD2-CB 3.42Å; L122-A127 HydrophobicContact CG-CB 3.62Å
123N94.9Very high92.1Very high26 Ų2652 Ų5214%0.13923%0.231CC..EExtended strand (participates in β ladder)trans-72.3130.9174.2-169.9-53.3000109.8Y93 S94 H125 K126 A127Y93-N123 HydrophobicContact CE1-CB 4.22Å; Y93-N123 HydrophobicContact CE2-CB 4.24Å; Y93-N123 CarbonylContact O-C 3.57Å; Y93-N123 WeakPolarHBondContact O-CA 3.39Å; S94-N123 PolarHBondContact O-ND2 2.94Å; N123-H125 PolarHBondContact O-N 3.12Å; N123-H125 WeakPolarHBondContact OD1-CB 3.2Å; N123-H125 PolarHBondContact OD1-CD2 3.49Å; N123-H125 VanDerWaalsContact OD1-CD2 3.25Å; N123-H125 PolarHBondContact OD1-N 2.9Å; N123-K126 HydrophobicContact CB-CB 4.45Å; N123-K126 HydrophobicContact CB-CD 4.1Å; N123-K126 HydrophobicContact CB-CG 4.12Å; N123-K126 PolarHBondContact O-N 3.48Å; N123-A127 PolarHBondContact O-N 3.36Å
124I93.3Very high91.9Very high20 Ų2048.2 Ų48.210%0.10321%0.214CC..THydrogen-bonded Turntrans-60.7-30.5-177.166170000112.9F92 Y93 S94 K126 A127 V131 F139F92-I124 HydrophobicContact CB-CG2 4.22Å; Y93-I124 WeakPolarHBondContact O-CG2 3.31Å; Y93-I124 PolarHBondContact O-N 3.23Å; S94-I124 VanDerWaalsContact CB-CD1 3.5Å; S94-I124 WeakPolarHBondContact OG-CD1 3.49Å; I124-K126 VanDerWaalsContact C-N 3.26Å; I124-K126 PolarHBondContact O-N 2.73Å; I124-A127 CarbonylContact O-C 3.59Å; I124-A127 PolarHBondContact O-N 3.49Å; I124-V131 HydrophobicContact CB-CG2 3.84Å; I124-V131 HydrophobicContact CG2-CG2 3.92Å; I124-F139 HydrophobicContact CB-CE1 4.33Å; I124-F139 HydrophobicContact CB-CZ 4.31Å; I124-F139 HydrophobicContact CD1-CD2 3.88Å; I124-F139 HydrophobicContact CD1-CE1 4.48Å; I124-F139 HydrophobicContact CD1-CE2 3.58Å; I124-F139 HydrophobicContact CD1-CG 4.44Å; I124-F139 HydrophobicContact CD1-CZ 3.92Å; I124-F139 HydrophobicContact CG2-CD1 3.51Å; I124-F139 HydrophobicContact CG2-CE1 3.22Å; I124-F139 HydrophobicContact CG2-CE2 4.29Å; I124-F139 HydrophobicContact CG2-CG 4.18Å; I124-F139 HydrophobicContact CG2-CZ 3.66Å
125H92.9Very high91.8Very high114 Ų11452.2 Ų52.253%0.52824%0.236SC..THydrogen-bonded Turntrans-71.7-25.6-179.6-63.6-69.5000111.8S94 N123S94-H125 PolarHBondContact OG-NE2 2.97Å; N123-H125 PolarHBondContact O-N 3.12Å; N123-H125 WeakPolarHBondContact OD1-CB 3.2Å; N123-H125 PolarHBondContact OD1-CD2 3.49Å; N123-H125 VanDerWaalsContact OD1-CD2 3.25Å; N123-H125 PolarHBondContact OD1-N 2.9Å
126K93.2Very high91.6Very high83 Ų8351 Ų5136%0.36123%0.23SC..THydrogen-bonded Turntrans-87.6-14.9178.5-62.5-177.5-173169.60113.2E71 N73 N123 I124E71-K126 IonicContact OE1-NZ 3.51Å; E71-K126 PolarHBondContact OE1-NZ 3.15Å; N73-K126 HydrophobicContact CB-CD 4.27Å; N73-K126 WeakPolarHBondContact O-CB 3.2Å; N73-K126 PolarHBondContact OD1-NZ 3.41Å; N123-K126 HydrophobicContact CB-CB 4.45Å; N123-K126 HydrophobicContact CB-CD 4.1Å; N123-K126 HydrophobicContact CB-CG 4.12Å; N123-K126 PolarHBondContact O-N 3.48Å; I124-K126 VanDerWaalsContact C-N 3.26Å; I124-K126 PolarHBondContact O-N 2.73Å
127A90.3Very high91.3Very high0 Ų058.5 Ų58.50%026%0.256CS..  trans-135.452.7-175.900000113.6D75 L122 N123 I124 F129 T130 V131D75-A127 VanDerWaalsContact CG-CA 3.48Å; D75-A127 WeakPolarHBondContact OD1-CA 3.37Å; D75-A127 WeakPolarHBondContact OD1-CB 3.14Å; D75-A127 VanDerWaalsContact OD2-CA 3.23Å; D75-A127 WeakPolarHBondContact OD2-CA 3.23Å; L122-A127 HydrophobicContact CD1-CB 3.76Å; L122-A127 HydrophobicContact CD2-CB 3.42Å; L122-A127 VanDerWaalsContact CD2-CB 3.42Å; L122-A127 HydrophobicContact CG-CB 3.62Å; N123-A127 PolarHBondContact O-N 3.36Å; I124-A127 CarbonylContact O-C 3.59Å; I124-A127 PolarHBondContact O-N 3.49Å; A127-F129 PolarHBondContact O-N 3.26Å; A127-T130 PolarHBondContact O-N 3.42Å; A127-V131 VanDerWaalsContact O-CG2 3.26Å; A127-V131 WeakPolarHBondContact O-CG2 3.44Å; A127-V131 PolarHBondContact O-N 2.92Å
128Q91.1Very high90.9Very high132 Ų13263 Ų6362%0.61728%0.28SS*.Hα-helixtrans-62.4-32.1-175.4-61-1787.700112.4D75 K132D75-Q128 PolarHBondContact OD2-N 2.67Å; Q128-K132 VanDerWaalsContact O-CB 3.27Å; Q128-K132 WeakPolarHBondContact O-CB 3.12Å; Q128-K132 PolarHBondContact O-N 3.42Å
129F91.9Very high90.5Very high106 Ų10664.1 Ų64.147%0.46529%0.286SS..Hα-helixtrans-65.2-48.6178174.8-95.5000110.8D75 F79 A127 K132 R133D75-F129 PolarHBondContact OD2-N 2.99Å; F79-F129 AromaticContact CE2-CD1 3.89Å; F79-F129 HydrophobicContact CE2-CD1 3.89Å; F79-F129 AromaticContact CE2-CE1 3.97Å; F79-F129 HydrophobicContact CE2-CE1 3.97Å; F79-F129 AromaticContact CZ-CD1 3.94Å; F79-F129 HydrophobicContact CZ-CD1 3.94Å; F79-F129 AromaticContact CZ-CE1 3.75Å; F79-F129 HydrophobicContact CZ-CE1 3.75Å; A127-F129 PolarHBondContact O-N 3.26Å; F129-K132 PolarHBondContact O-N 2.92Å; F129-R133 HydrophobicContact CD1-CG 4.27Å; F129-R133 HydrophobicContact CD2-CG 4.47Å; F129-R133 HydrophobicContact CE1-CG 3.93Å; F129-R133 HydrophobicContact CE2-CG 4.15Å; F129-R133 HydrophobicContact CZ-CG 3.87Å; F129-R133 WeakPolarHBondContact O-CB 3.3Å; F129-R133 VanDerWaalsContact O-CG 3.26Å; F129-R133 WeakPolarHBondContact O-CG 3.14Å; F129-R133 PolarHBondContact O-N 2.83Å
130T89.8Confident90.2Very high3 Ų364.2 Ų64.22%0.01829%0.286CS..Hα-helixtrans-64-45.1178.6-60.90000111.1D75 F78 F92 A127 K132 R133 L134D75-T130 WeakPolarHBondContact OD1-CB 3.08Å; D75-T130 PolarHBondContact OD1-N 2.55Å; D75-T130 PolarHBondContact OD1-OG1 3.09Å; F78-T130 HydrophobicContact CD1-CG2 3.87Å; F78-T130 HydrophobicContact CE1-CG2 3.54Å; F78-T130 HydrophobicContact CE2-CG2 4.21Å; F78-T130 HydrophobicContact CG-CG2 4.35Å; F78-T130 HydrophobicContact CZ-CG2 3.74Å; F92-T130 HydrophobicContact CE1-CG2 3.74Å; F92-T130 HydrophobicContact CZ-CG2 3.68Å; A127-T130 PolarHBondContact O-N 3.42Å; T130-K132 VanDerWaalsContact C-N 3.34Å; T130-K132 PolarHBondContact O-N 3.32Å; T130-R133 PolarHBondContact O-N 3.36Å; T130-L134 HydrophobicContact CG2-CD1 3.6Å; T130-L134 HydrophobicContact CG2-CG 4.17Å; T130-L134 WeakPolarHBondContact O-CB 3.27Å; T130-L134 WeakPolarHBondContact O-CG 3.47Å; T130-L134 PolarHBondContact O-N 2.77Å
131V90.1Very high89.8Confident22 Ų2264.2 Ų64.213%0.13329%0.286CS..Hα-helixtrans-58-45.5177.4169.20000111.5F92 I124 A127 N135 L136 F139F92-V131 HydrophobicContact CD1-CG2 4.09Å; F92-V131 HydrophobicContact CE1-CG2 4.45Å; I124-V131 HydrophobicContact CB-CG2 3.84Å; I124-V131 HydrophobicContact CG2-CG2 3.92Å; A127-V131 VanDerWaalsContact O-CG2 3.26Å; A127-V131 WeakPolarHBondContact O-CG2 3.44Å; A127-V131 PolarHBondContact O-N 2.92Å; V131-N135 PolarHBondContact O-N 2.75Å; V131-N135 VanDerWaalsContact O-N 3.09Å; V131-L136 HydrophobicContact CG1-CB 4.25Å; V131-L136 HydrophobicContact CG2-CD1 4.47Å; V131-L136 PolarHBondContact O-N 3.42Å; V131-L136 VanDerWaalsContact O-N 3.1Å; V131-F139 HydrophobicContact CG1-CZ 4.07Å
132K89.8Confident89.4Confident181 Ų18162.3 Ų62.379%0.78728%0.278SS*.Hα-helixtrans-65.7-43177.4-174.9176.1-178.2175.90111.9Q128 F129 T130 N135Q128-K132 VanDerWaalsContact O-CB 3.27Å; Q128-K132 WeakPolarHBondContact O-CB 3.12Å; Q128-K132 PolarHBondContact O-N 3.42Å; F129-K132 PolarHBondContact O-N 2.92Å; T130-K132 VanDerWaalsContact C-N 3.34Å; T130-K132 PolarHBondContact O-N 3.32Å; K132-N135 PolarHBondContact O-N 2.73Å
133R87.4Confident89.1Confident166 Ų16662.3 Ų62.363%0.62628%0.278SS*.Hα-helixtrans-66.2-41.2179.7-76.6-71.8-175.2177.8-0.6112.5F129 T130 N135 L212F129-R133 HydrophobicContact CD1-CG 4.27Å; F129-R133 HydrophobicContact CD2-CG 4.47Å; F129-R133 HydrophobicContact CE1-CG 3.93Å; F129-R133 HydrophobicContact CE2-CG 4.15Å; F129-R133 HydrophobicContact CZ-CG 3.87Å; F129-R133 WeakPolarHBondContact O-CB 3.3Å; F129-R133 VanDerWaalsContact O-CG 3.26Å; F129-R133 WeakPolarHBondContact O-CG 3.14Å; F129-R133 PolarHBondContact O-N 2.83Å; T130-R133 PolarHBondContact O-N 3.36Å; R133-N135 PolarHBondContact O-N 2.79Å; R133-L212 VanDerWaalsContact O-CD2 3.26Å; R133-L212 WeakPolarHBondContact O-CD2 3.5Å
134L87.8Confident88.8Confident8 Ų861.3 Ų61.34%0.04227%0.274CS..THydrogen-bonded Turntrans-78.5-4.3176.4-67.5177.4000113.1F92 T130 L136 F145 T150 F153 V214F92-L134 HydrophobicContact CE1-CD1 4.39Å; F92-L134 HydrophobicContact CE2-CD1 3.85Å; F92-L134 HydrophobicContact CZ-CD1 3.59Å; T130-L134 HydrophobicContact CG2-CD1 3.6Å; T130-L134 HydrophobicContact CG2-CG 4.17Å; T130-L134 WeakPolarHBondContact O-CB 3.27Å; T130-L134 WeakPolarHBondContact O-CG 3.47Å; T130-L134 PolarHBondContact O-N 2.77Å; L134-L136 HydrophobicContact CB-CD1 4.24Å; L134-L136 HydrophobicContact CB-CD2 4.03Å; L134-L136 HydrophobicContact CB-CG 3.73Å; L134-L136 HydrophobicContact CD1-CD1 4.2Å; L134-L136 PolarHBondContact O-N 2.75Å; L134-F145 HydrophobicContact CD1-CZ 4.06Å; L134-F145 HydrophobicContact CD2-CE1 4.35Å; L134-F145 HydrophobicContact CD2-CZ 4.4Å; L134-T150 HydrophobicContact CD2-CG2 3.57Å; L134-F153 HydrophobicContact CB-CE1 4.3Å; L134-F153 HydrophobicContact CD2-CE1 4.27Å; L134-F153 HydrophobicContact CD2-CZ 4.09Å; L134-V214 HydrophobicContact CD2-CG2 3.75Å
135N87.4Confident88.6Confident88 Ų8860.6 Ų60.647%0.47127%0.27SS..THydrogen-bonded Turntrans50.144.8-176.4-17433.2000112.2V131 K132 R133 R137V131-N135 PolarHBondContact O-N 2.75Å; V131-N135 VanDerWaalsContact O-N 3.09Å; K132-N135 PolarHBondContact O-N 2.73Å; R133-N135 PolarHBondContact O-N 2.79Å; N135-R137 PolarHBondContact O-N 3.39Å; N135-R137 PolarHBondContact OD1-NE 2.7Å; N135-R137 VanDerWaalsContact OD1-NE 3.08Å; N135-R137 PolarHBondContact OD1-NH2 2.8Å
136L85.4Confident88.3Confident12 Ų1256.2 Ų56.26%0.06325%0.25CS..  trans-77.2121.1178.3-56.6178.8000109.6F92 V131 L134 F139 T141 V143 F153F92-L136 HydrophobicContact CB-CD1 3.79Å; F92-L136 HydrophobicContact CD1-CD1 3.67Å; F92-L136 HydrophobicContact CD2-CD1 3.55Å; F92-L136 HydrophobicContact CE1-CD1 4.08Å; F92-L136 HydrophobicContact CE2-CD1 3.99Å; F92-L136 HydrophobicContact CG-CD1 3.37Å; F92-L136 HydrophobicContact CZ-CD1 4.24Å; V131-L136 HydrophobicContact CG1-CB 4.25Å; V131-L136 HydrophobicContact CG2-CD1 4.47Å; V131-L136 PolarHBondContact O-N 3.42Å; V131-L136 VanDerWaalsContact O-N 3.1Å; L134-L136 HydrophobicContact CB-CD1 4.24Å; L134-L136 HydrophobicContact CB-CD2 4.03Å; L134-L136 HydrophobicContact CB-CG 3.73Å; L134-L136 HydrophobicContact CD1-CD1 4.2Å; L134-L136 PolarHBondContact O-N 2.75Å; L136-F139 HydrophobicContact CB-CE1 3.73Å; L136-F139 HydrophobicContact CB-CZ 4.03Å; L136-F139 HydrophobicContact CD1-CE1 4.35Å; L136-T141 HydrophobicContact CD2-CG2 3.91Å; L136-V143 HydrophobicContact CD2-CG2 4.17Å; L136-F153 HydrophobicContact CD2-CD1 3.86Å; L136-F153 HydrophobicContact CD2-CE1 3.82Å
137R83Confident88Confident194 Ų19457.8 Ų57.873%0.73226%0.262SS*.  trans-115.9-19.6-179.1-59.7-176.3-174-172.2-1.7113.7N135N135-R137 PolarHBondContact O-N 3.39Å; N135-R137 PolarHBondContact OD1-NE 2.7Å; N135-R137 VanDerWaalsContact OD1-NE 3.08Å; N135-R137 PolarHBondContact OD1-NH2 2.8Å
138L83.4Confident87.7Confident96 Ų9658.2 Ų58.250%0.50327%0.267SS..SBendtrans-120.8143.7-176.8-62.9174.6000109.1T141L138-T141 PolarHBondContact O-OG1 2.88Å
139F86.3Confident87.4Confident53 Ų5355.6 Ų55.623%0.23226%0.255CS..SBendtrans-138.1139.6-179.7-52.6-71000110.2F92 I124 V131 L136F92-F139 HydrophobicContact CB-CD1 4.24Å; F92-F139 HydrophobicContact CB-CE1 4.33Å; I124-F139 HydrophobicContact CB-CE1 4.33Å; I124-F139 HydrophobicContact CB-CZ 4.31Å; I124-F139 HydrophobicContact CD1-CD2 3.88Å; I124-F139 HydrophobicContact CD1-CE1 4.48Å; I124-F139 HydrophobicContact CD1-CE2 3.58Å; I124-F139 HydrophobicContact CD1-CG 4.44Å; I124-F139 HydrophobicContact CD1-CZ 3.92Å; I124-F139 HydrophobicContact CG2-CD1 3.51Å; I124-F139 HydrophobicContact CG2-CE1 3.22Å; I124-F139 HydrophobicContact CG2-CE2 4.29Å; I124-F139 HydrophobicContact CG2-CG 4.18Å; I124-F139 HydrophobicContact CG2-CZ 3.66Å; V131-F139 HydrophobicContact CG1-CZ 4.07Å; L136-F139 HydrophobicContact CB-CE1 3.73Å; L136-F139 HydrophobicContact CB-CZ 4.03Å; L136-F139 HydrophobicContact CD1-CE1 4.35Å
140P88.8Confident87.1Confident2 Ų251.1 Ų51.11%0.01324%0.236CC..SBendcis-74.1142.61.230.5-33.7000112.8M91 F92 R99 L103 A156M91-P140 HydrophobicContact CG-CB 4.28Å; M91-P140 HydrophobicContact SD-CB 4.35Å; F92-P140 VanDerWaalsContact O-CA 3.32Å; F92-P140 WeakPolarHBondContact O-CA 3.31Å; R99-P140 HydrophobicContact CB-CG 4.25Å; L103-P140 HydrophobicContact CD2-CB 4.34Å; P140-A156 HydrophobicContact CG-CB 4.34Å
141T86.8Confident86.7Confident0 Ų052.5 Ų52.50%024%0.244CC..EExtended strand (participates in β ladder)trans-122126.7169.3-67.30000109.1F92 L136 L138 V143 F153 R155F92-T141 PolarHBondContact N-O 3.42Å; F92-T141 PolarHBondContact O-N 2.9Å; F92-T141 VanDerWaalsContact O-N 3.08Å; L136-T141 HydrophobicContact CD2-CG2 3.91Å; L138-T141 PolarHBondContact O-OG1 2.88Å; T141-V143 HydrophobicContact CG2-CG2 3.9Å; T141-F153 HydrophobicContact CG2-CD1 4.34Å; T141-R155 HydrophobicContact CG2-CG 3.89Å
142L88.9Confident86.3Confident2 Ų252.4 Ų52.41%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-94.8126.7172.3-173.474.4000108.5V89 V90 M91 L107 L154 L175V89-L142 HydrophobicContact CG1-CD1 3.38Å; V89-L142 HydrophobicContact CG1-CD2 4.07Å; V89-L142 HydrophobicContact CG1-CG 3.73Å; V90-L142 WeakPolarHBondContact O-CA 3.34Å; M91-L142 HydrophobicContact CB-CD1 3.96Å; L107-L142 HydrophobicContact CD1-CD1 3.77Å; L107-L142 HydrophobicContact CD2-CD1 3.97Å; L107-L142 HydrophobicContact CD2-CD2 4.19Å; L142-L154 HydrophobicContact CB-CB 4.12Å; L142-L154 HydrophobicContact CB-CD2 4.5Å; L142-L154 HydrophobicContact CD2-CD2 3.97Å; L142-L154 PolarHBondContact N-O 3.25Å; L142-L154 PolarHBondContact O-N 3.05Å; L142-L175 HydrophobicContact CD2-CD2 4.18Å
143V88.9Confident85.9Confident0 Ų044.7 Ų44.70%021%0.209CC..EExtended strand (participates in β ladder)trans-119129-179.6-171.10000108.9V89 V90 F92 L136 T141 F145 T150 F153V89-V143 WeakPolarHBondContact CA-O 3.46Å; V90-V143 PolarHBondContact N-O 3.43Å; V90-V143 PolarHBondContact O-N 3.3Å; F92-V143 HydrophobicContact CD2-CB 4.45Å; F92-V143 HydrophobicContact CD2-CG2 3.76Å; F92-V143 HydrophobicContact CE2-CB 4.04Å; F92-V143 HydrophobicContact CE2-CG2 3.69Å; L136-V143 HydrophobicContact CD2-CG2 4.17Å; T141-V143 HydrophobicContact CG2-CG2 3.9Å; V143-F145 HydrophobicContact CB-CE2 3.74Å; V143-F145 HydrophobicContact CB-CZ 4.03Å; V143-F145 HydrophobicContact CG1-CD2 4.24Å; V143-F145 HydrophobicContact CG1-CE1 4.13Å; V143-F145 HydrophobicContact CG1-CE2 3.51Å; V143-F145 HydrophobicContact CG1-CZ 3.43Å; V143-F145 VanDerWaalsContact CG1-CZ 3.43Å; V143-T150 HydrophobicContact CG1-CG2 4.3Å; V143-F153 HydrophobicContact CB-CD1 4.43Å; V143-F153 HydrophobicContact CB-CE1 4.47Å; V143-F153 HydrophobicContact CG1-CD1 4.02Å; V143-F153 HydrophobicContact CG1-CE1 3.76Å; V143-F153 HydrophobicContact CG1-CZ 4.1Å; V143-F153 HydrophobicContact CG2-CD1 3.64Å; V143-F153 HydrophobicContact CG2-CE1 3.82Å
144S88.5Confident85.5Confident6 Ų637.6 Ų37.64%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-102.1135.7177.9-63.30000110.5V151 D152 C178S144-V151 PolarHBondContact O-N 3.38Å; S144-D152 PolarHBondContact N-O 3.33Å; S144-C178 WeakPolarHBondContact CB-SG 3.42Å; S144-C178 PolarHBondContact OG-SG 3.18Å; S144-C178 VanDerWaalsContact OG-SG 3.32Å
145F88.3Confident85.1Confident4 Ų440.6 Ų40.62%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-125.6137.7178.8-55.9-98.1000110.7F78 F88 V90 L134 V143 Q149 T150 L216F78-F145 HydrophobicContact CE2-CE2 4.07Å; F78-F145 HydrophobicContact CE2-CZ 4.05Å; F78-F145 HydrophobicContact CZ-CE1 4.12Å; F78-F145 HydrophobicContact CZ-CE2 4.09Å; F78-F145 AromaticContact CZ-CZ 3.64Å; F78-F145 HydrophobicContact CZ-CZ 3.64Å; F88-F145 HydrophobicContact CB-CB 4.26Å; F88-F145 HydrophobicContact CD1-CD2 4.06Å; F88-F145 PolarHBondContact N-O 3.39Å; F88-F145 WeakPolarHBondContact O-CA 3.25Å; F88-F145 WeakPolarHBondContact O-CB 3.44Å; F88-F145 WeakPolarHBondContact O-CD2 3.39Å; F88-F145 PolarHBondContact O-N 3.45Å; V90-F145 HydrophobicContact CG2-CE2 4.36Å; L134-F145 HydrophobicContact CD1-CZ 4.06Å; L134-F145 HydrophobicContact CD2-CE1 4.35Å; L134-F145 HydrophobicContact CD2-CZ 4.4Å; V143-F145 HydrophobicContact CB-CE2 3.74Å; V143-F145 HydrophobicContact CB-CZ 4.03Å; V143-F145 HydrophobicContact CG1-CD2 4.24Å; V143-F145 HydrophobicContact CG1-CE1 4.13Å; V143-F145 HydrophobicContact CG1-CE2 3.51Å; V143-F145 HydrophobicContact CG1-CZ 3.43Å; V143-F145 VanDerWaalsContact CG1-CZ 3.43Å; F145-Q149 CarbonylContact C-O 3.6Å; F145-Q149 WeakPolarHBondContact CA-O 3.37Å; F145-T150 HydrophobicContact CD1-CG2 3.78Å; F145-T150 HydrophobicContact CE1-CG2 3.34Å; F145-T150 HydrophobicContact CZ-CG2 4.15Å; F145-L216 HydrophobicContact CD1-CD1 4.34Å
146I87.7Confident84.1Confident23 Ų2337.1 Ų37.112%0.11818%0.178CC..EExtended strand (participates in β ladder)trans-126.2128.7170.2-64.7173.2000108.2E86 G148 Q149 V151 C178 E179E86-I146 CarbonylContact O-C 3.39Å; E86-I146 WeakPolarHBondContact O-CA 3.43Å; I146-G148 PolarHBondContact O-N 2.93Å; I146-Q149 PolarHBondContact N-O 3.19Å; I146-Q149 PolarHBondContact O-N 3.41Å; I146-V151 HydrophobicContact CB-CG2 3.74Å; I146-V151 HydrophobicContact CD1-CG2 3.65Å; I146-V151 HydrophobicContact CG1-CG2 3.59Å; I146-C178 VanDerWaalsContact CD1-O 3.26Å; I146-C178 WeakPolarHBondContact CD1-O 3.26Å; I146-E179 HydrophobicContact CD1-CB 3.97Å; I146-E179 HydrophobicContact CD1-CG 4.2Å
147N86.7Confident83Confident115 Ų11537.8 Ų37.862%0.61518%0.183SC*.THydrogen-bonded Turntrans5230.6-179.4-70.7-55.4000113.3E86 Q149E86-N147 WeakPolarHBondContact CG-OD1 3.33Å; E86-N147 PolarHBondContact O-N 2.93Å; N147-Q149 VanDerWaalsContact C-N 3.31Å; N147-Q149 PolarHBondContact O-N 3.46Å
148G84.6Confident81.8Confident9 Ų936.7 Ų36.79%0.09319%0.187CC..THydrogen-bonded Turntrans80.9-3.9-177.200000116I146 L216I146-G148 PolarHBondContact O-N 2.93Å; G148-L216 VanDerWaalsContact CA-CD1 3.44Å; G148-L216 VanDerWaalsContact O-CD1 3.31Å; G148-L216 WeakPolarHBondContact O-CD1 3.17Å
149Q84.9Confident80.5Confident78 Ų7834.2 Ų34.236%0.36418%0.184SC..EExtended strand (participates in β ladder)trans-91.8146175.1-61.917828.700110.7F145 I146 N147 H211F145-Q149 CarbonylContact C-O 3.6Å; F145-Q149 WeakPolarHBondContact CA-O 3.37Å; I146-Q149 PolarHBondContact N-O 3.19Å; I146-Q149 PolarHBondContact O-N 3.41Å; N147-Q149 VanDerWaalsContact C-N 3.31Å; N147-Q149 PolarHBondContact O-N 3.46Å; Q149-H211 PolarHBondContact OE1-CE1 3.04Å
150T84.5Confident79.2Confident11 Ų1131.8 Ų31.87%0.06717%0.174CC..EExtended strand (participates in β ladder)trans-72.3128.1173.354.50000109.9L134 V143 F145 F153 L212 V214L134-T150 HydrophobicContact CD2-CG2 3.57Å; V143-T150 HydrophobicContact CG1-CG2 4.3Å; F145-T150 HydrophobicContact CD1-CG2 3.78Å; F145-T150 HydrophobicContact CE1-CG2 3.34Å; F145-T150 HydrophobicContact CZ-CG2 4.15Å; T150-F153 HydrophobicContact CG2-CE2 4.39Å; T150-F153 HydrophobicContact CG2-CZ 3.98Å; T150-L212 PolarHBondContact OG1-O 3.49Å; T150-V214 HydrophobicContact CG2-CG2 3.97Å
151V82.4Confident77.6Confident32 Ų3234.3 Ų34.319%0.19419%0.189CC..EExtended strand (participates in β ladder)trans-100.5-49.4178.7178.90000111S144 I146 C178 F208S144-V151 PolarHBondContact O-N 3.38Å; I146-V151 HydrophobicContact CB-CG2 3.74Å; I146-V151 HydrophobicContact CD1-CG2 3.65Å; I146-V151 HydrophobicContact CG1-CG2 3.59Å; V151-C178 HydrophobicContact CG1-CB 4.3Å; V151-F208 WeakPolarHBondContact O-CZ 3.38Å
152D79.8Confident76.5Confident21 Ų2137.6 Ų37.611%0.11221%0.21CC..EExtended strand (participates in β ladder)trans-151.7156.7-175.3-158.77.1000112.3S144S144-D152 PolarHBondContact N-O 3.33Å
153F81.5Confident75.3Confident18 Ų1845 Ų458%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-125.1105.3179.1-67.5-98.7000109.5L134 L136 T141 V143 T150 R155 V209L134-F153 HydrophobicContact CB-CE1 4.3Å; L134-F153 HydrophobicContact CD2-CE1 4.27Å; L134-F153 HydrophobicContact CD2-CZ 4.09Å; L136-F153 HydrophobicContact CD2-CD1 3.86Å; L136-F153 HydrophobicContact CD2-CE1 3.82Å; T141-F153 HydrophobicContact CG2-CD1 4.34Å; V143-F153 HydrophobicContact CB-CD1 4.43Å; V143-F153 HydrophobicContact CB-CE1 4.47Å; V143-F153 HydrophobicContact CG1-CD1 4.02Å; V143-F153 HydrophobicContact CG1-CE1 3.76Å; V143-F153 HydrophobicContact CG1-CZ 4.1Å; V143-F153 HydrophobicContact CG2-CD1 3.64Å; V143-F153 HydrophobicContact CG2-CE1 3.82Å; T150-F153 HydrophobicContact CG2-CE2 4.39Å; T150-F153 HydrophobicContact CG2-CZ 3.98Å; F153-R155 PolarHBondContact O-N 2.97Å; F153-V209 HydrophobicContact CE2-CB 4.49Å
154L80.1Confident74.2Confident17 Ų1751.5 Ų51.59%0.08928%0.276CS..EExtended strand (participates in β ladder)trans-93103.5175.5-171.475.6000109.2L142 Y174 F202L142-L154 HydrophobicContact CB-CB 4.12Å; L142-L154 HydrophobicContact CB-CD2 4.5Å; L142-L154 HydrophobicContact CD2-CD2 3.97Å; L142-L154 PolarHBondContact N-O 3.25Å; L142-L154 PolarHBondContact O-N 3.05Å; L154-Y174 HydrophobicContact CD1-CD1 3.52Å; L154-Y174 HydrophobicContact CD1-CD2 3.91Å; L154-Y174 HydrophobicContact CD1-CE1 3.68Å; L154-Y174 HydrophobicContact CD1-CE2 4.12Å; L154-Y174 HydrophobicContact CD1-CG 3.63Å; L154-Y174 HydrophobicContact CD2-CG 4.45Å; L154-F202 HydrophobicContact CD1-CD1 3.46Å; L154-F202 VanDerWaalsContact CD1-CD1 3.46Å; L154-F202 HydrophobicContact CD1-CD2 4.2Å; L154-F202 HydrophobicContact CD1-CE1 3.11Å; L154-F202 HydrophobicContact CD1-CE2 3.87Å; L154-F202 HydrophobicContact CD1-CG 4.02Å; L154-F202 HydrophobicContact CD1-CZ 3.32Å; L154-F202 HydrophobicContact CD2-CE1 3.97Å; L154-F202 HydrophobicContact CD2-CZ 4.13Å; L154-F202 HydrophobicContact CG-CD1 3.89Å; L154-F202 HydrophobicContact CG-CE1 3.31Å; L154-F202 HydrophobicContact CG-CZ 3.83Å
155R78.6Confident73.4Confident72 Ų7254.8 Ų54.827%0.27229%0.29SS..EExtended strand (participates in β ladder)trans-103.9104.1-177.2-62.2176.3-175.8159.93.1110T141 F153 S157 F202T141-R155 HydrophobicContact CG2-CG 3.89Å; F153-R155 PolarHBondContact O-N 2.97Å; R155-S157 PolarHBondContact O-N 2.99Å; R155-S157 VanDerWaalsContact O-N 3.07Å; R155-F202 VanDerWaalsContact O-CD1 3.24Å; R155-F202 WeakPolarHBondContact O-CD1 3.26Å
156A67.9Low72.8Confident15 Ų1555 Ų5512%0.12429%0.291CS..  trans-60.6116177.600000109.7P140P140-A156 HydrophobicContact CG-CB 4.34Å
157S61.7Low72.4Confident25 Ų2556.1 Ų56.118%0.17530%0.299CS..  trans-65.1169.6177.781.10000111.8R155 G159 C160 V201R155-S157 PolarHBondContact O-N 2.99Å; R155-S157 VanDerWaalsContact O-N 3.07Å; S157-G159 PolarHBondContact O-N 3.07Å; S157-C160 PolarHBondContact N-SG 2.84Å; S157-C160 PolarHBondContact O-SG 3.2Å; S157-V201 WeakPolarHBondContact CB-O 3.24Å; S157-V201 PolarHBondContact N-O 3.08Å; S157-V201 PolarHBondContact OG-O 3.45Å
158E56.7Low72.3Confident171 Ų17152.9 Ų52.980%0.79928%0.281SS*.THydrogen-bonded Turntrans-68129.7162.3-69.1175.4176.900108.3
159G57.2Low72.1Confident44 Ų4456.3 Ų56.345%0.45430%0.298SS..THydrogen-bonded Turntrans105.3-4.1179.100000117.3S157 K165S157-G159 PolarHBondContact O-N 3.07Å; G159-K165 PolarHBondContact O-NZ 3.16Å; G159-K165 VanDerWaalsContact O-NZ 3.1Å
160C58.3Low71.8Confident3 Ų352.6 Ų52.62%0.0228%0.281CS..  trans-99.828.7175.551.90000114.7S157 T162 V201S157-C160 PolarHBondContact N-SG 2.84Å; S157-C160 PolarHBondContact O-SG 3.2Å; C160-T162 VanDerWaalsContact C-N 3.29Å; C160-T162 PolarHBondContact O-N 2.94Å; C160-V201 HydrophobicContact CB-CB 4.18Å; C160-V201 HydrophobicContact CB-CG1 3.6Å; C160-V201 HydrophobicContact CB-CG2 4.25Å; C160-V201 PolarHBondContact SG-O 2.62Å
161V54.7Low71.6Confident55 Ų5552.1 Ų52.133%0.33328%0.277SS..  trans-68.3-30.2177.7-171.90000111.6E98 R99 L102E98-V161 HydrophobicContact CB-CG1 4.18Å; R99-V161 HydrophobicContact CG-CB 4.1Å; R99-V161 HydrophobicContact CG-CG1 4.1Å; R99-V161 HydrophobicContact CG-CG2 3.58Å; L102-V161 WeakPolarHBondContact CD2-O 3.39Å
162T64.4Low71.5Confident69 Ų6951 Ų5142%0.42327%0.27SS..SBendtrans-70.8132.6-173.2-38.40000111.5C160 D164 K165 L166C160-T162 VanDerWaalsContact C-N 3.29Å; C160-T162 PolarHBondContact O-N 2.94Å; T162-D164 HydrophobicContact CG2-CB 4.19Å; T162-D164 WeakPolarHBondContact CG2-OD2 3.45Å; T162-D164 PolarHBondContact O-N 2.62Å; T162-K165 PolarHBondContact O-N 3.47Å; T162-L166 PolarHBondContact O-N 3.27Å
163K63.9Low71.3Confident157 Ų15751.1 Ų51.168%0.68327%0.269SS*.THydrogen-bonded Turntrans-50.1-31.3175.3-65.6-171.7176.1175.70113.1L102 K165L102-K163 HydrophobicContact CD1-CD 4.42Å; L102-K163 HydrophobicContact CD1-CG 3.76Å; L102-K163 HydrophobicContact CD2-CG 4.29Å; K163-K165 VanDerWaalsContact C-N 3.29Å; K163-K165 PolarHBondContact O-N 2.83Å
164D66.8Low70.9Confident136 Ų13650.8 Ų50.873%0.72727%0.267SS*.THydrogen-bonded Turntrans-68.7-27.7-179.3-51.2-29.6000113.1T162T162-D164 HydrophobicContact CG2-CB 4.19Å; T162-D164 WeakPolarHBondContact CG2-OD2 3.45Å; T162-D164 PolarHBondContact O-N 2.62Å
165K71.8Confident70.7Confident75 Ų7550.1 Ų50.133%0.32626%0.264SS..THydrogen-bonded Turntrans-92-38-179.4-67-174.2-177.61780112.3G159 T162 K163 L170 V201G159-K165 PolarHBondContact O-NZ 3.16Å; G159-K165 VanDerWaalsContact O-NZ 3.1Å; T162-K165 PolarHBondContact O-N 3.47Å; K163-K165 VanDerWaalsContact C-N 3.29Å; K163-K165 PolarHBondContact O-N 2.83Å; K165-L170 VanDerWaalsContact O-CD2 3.26Å; K165-L170 WeakPolarHBondContact O-CD2 3.27Å; K165-V201 HydrophobicContact CB-CG2 4.15Å
166L74.3Confident70.5Confident9 Ų949.3 Ų49.35%0.04727%0.269CS..SBendtrans-103.464.1-177.6-162.383.7000110.3L102 L103 H106 T162 I171 V201 F202L102-L166 HydrophobicContact CD2-CB 4.11Å; L102-L166 HydrophobicContact CD2-CD2 4.11Å; L102-L166 HydrophobicContact CG-CD2 4.28Å; L103-L166 HydrophobicContact CD1-CD2 4.46Å; H106-L166 PolarHBondContact NE2-O 2.98Å; T162-L166 PolarHBondContact O-N 3.27Å; L166-I171 HydrophobicContact CD1-CG1 4.49Å; L166-I171 HydrophobicContact CD2-CD1 4.2Å; L166-I171 HydrophobicContact CG-CD1 4.04Å; L166-I171 HydrophobicContact CG-CG1 4.35Å; L166-V201 HydrophobicContact CD1-CG1 3.94Å; L166-F202 HydrophobicContact CD1-CZ 4.27Å
167T80.5Confident70.3Confident46 Ų4653.9 Ų53.928%0.28228%0.283SS..  trans-73.9157.4-179.362.10000112D169 L170 I171T167-D169 VanDerWaalsContact C-N 3.29Å; T167-D169 PolarHBondContact O-N 2.94Å; T167-L170 PolarHBondContact O-N 2.86Å; T167-L170 WeakPolarHBondContact OG1-CB 3.27Å; T167-L170 PolarHBondContact OG1-N 2.93Å; T167-I171 PolarHBondContact O-N 3.25Å
168L83.7Confident70.3Confident47 Ų4752.9 Ų52.925%0.24628%0.276CS..Hα-helixtrans-57.2-43.5175.4-177.667.2000111.6H106 T109 L110 L170 I171 E172H106-L168 HydrophobicContact CB-CD1 3.99Å; T109-L168 HydrophobicContact CG2-CD1 4.28Å; T109-L168 HydrophobicContact CG2-CD2 3.8Å; L110-L168 HydrophobicContact CD1-CD1 4.05Å; L110-L168 HydrophobicContact CD2-CD1 3.85Å; L110-L168 HydrophobicContact CG-CD1 3.63Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 3.42Å; L168-I171 PolarHBondContact O-N 3.41Å; L168-E172 WeakPolarHBondContact O-CB 3.44Å; L168-E172 PolarHBondContact O-N 3.42Å
169D81.2Confident70.8Confident82 Ų8249.8 Ų49.844%0.43926%0.262SS..Hα-helixtrans-64.8-36.2-179.4-64.7-41.6000111.7T167 E172 Y173 T187 I189T167-D169 VanDerWaalsContact C-N 3.29Å; T167-D169 PolarHBondContact O-N 2.94Å; D169-E172 PolarHBondContact O-N 3.43Å; D169-Y173 WeakPolarHBondContact O-CB 3.31Å; D169-Y173 PolarHBondContact O-N 3.24Å; D169-T187 HydrophobicContact CB-CG2 4.16Å; D169-I189 HydrophobicContact CB-CD1 3.91Å
170L77.4Confident71.2Confident0 Ų048 Ų480%024%0.242CC..Hα-helixtrans-64.1-48.9175.1-174.567.5000110.4K165 T167 L168 E172 Y173 Y174 V194 L197 V201 F202K165-L170 VanDerWaalsContact O-CD2 3.26Å; K165-L170 WeakPolarHBondContact O-CD2 3.27Å; T167-L170 PolarHBondContact O-N 2.86Å; T167-L170 WeakPolarHBondContact OG1-CB 3.27Å; T167-L170 PolarHBondContact OG1-N 2.93Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 3.42Å; L170-E172 VanDerWaalsContact C-N 3.33Å; L170-E172 PolarHBondContact O-N 2.8Å; L170-Y173 WeakPolarHBondContact O-CB 3.22Å; L170-Y173 PolarHBondContact O-N 3.09Å; L170-Y174 HydrophobicContact CD1-CD2 4.3Å; L170-Y174 HydrophobicContact CD1-CE2 3.75Å; L170-Y174 HydrophobicContact CD2-CE2 4.32Å; L170-Y174 HydrophobicContact CG-CD2 4.06Å; L170-Y174 HydrophobicContact CG-CE2 3.74Å; L170-Y174 WeakPolarHBondContact O-CD2 3.36Å; L170-Y174 PolarHBondContact O-N 2.89Å; L170-V194 HydrophobicContact CD1-CG1 4.07Å; L170-L197 HydrophobicContact CD1-CB 4.49Å; L170-V201 HydrophobicContact CD2-CG2 4.38Å; L170-F202 HydrophobicContact CD2-CE2 4.4Å
171I79.8Confident71Confident0 Ų055.6 Ų55.60%027%0.274CS..Hα-helixtrans-61.6-43.2177.5-61.5165000110.6L103 H106 L110 L166 T167 L168 Y173 Y174 L175L103-I171 HydrophobicContact CD1-CD1 3.68Å; L103-I171 HydrophobicContact CD1-CG1 4.5Å; H106-I171 HydrophobicContact CB-CD1 3.53Å; L110-I171 HydrophobicContact CD1-CB 4.22Å; L110-I171 HydrophobicContact CD1-CG2 3.55Å; L166-I171 HydrophobicContact CD1-CG1 4.49Å; L166-I171 HydrophobicContact CD2-CD1 4.2Å; L166-I171 HydrophobicContact CG-CD1 4.04Å; L166-I171 HydrophobicContact CG-CG1 4.35Å; T167-I171 PolarHBondContact O-N 3.25Å; L168-I171 PolarHBondContact O-N 3.41Å; I171-Y173 VanDerWaalsContact C-N 3.3Å; I171-Y173 PolarHBondContact O-N 3.29Å; I171-Y174 PolarHBondContact O-N 2.81Å; I171-L175 HydrophobicContact CG2-CD1 4.07Å; I171-L175 HydrophobicContact CG2-CG 4.33Å; I171-L175 VanDerWaalsContact O-CG 3.31Å; I171-L175 WeakPolarHBondContact O-CG 3.45Å; I171-L175 PolarHBondContact O-N 2.86Å
172E80.7Confident70.7Confident8 Ų854.1 Ų54.14%0.03727%0.266CS..Hα-helixtrans-61.2-39.6176.4-168.9172.3170.800111.7L110 K113 H114 L168 D169 L170 L175 S176 S182L110-E172 HydrophobicContact CD2-CB 3.98Å; L110-E172 HydrophobicContact CD2-CG 4.13Å; K113-E172 WeakPolarHBondContact CE-OE1 3.46Å; K113-E172 IonicContact NZ-OE1 3.03Å; K113-E172 PolarHBondContact NZ-OE1 3.03Å; K113-E172 IonicContact NZ-OE2 2.86Å; K113-E172 PolarHBondContact NZ-OE2 3.33Å; H114-E172 IonicContact CE1-OE1 3.02Å; H114-E172 IonicContact NE2-OE1 3.35Å; L168-E172 WeakPolarHBondContact O-CB 3.44Å; L168-E172 PolarHBondContact O-N 3.42Å; D169-E172 PolarHBondContact O-N 3.43Å; L170-E172 VanDerWaalsContact C-N 3.33Å; L170-E172 PolarHBondContact O-N 2.8Å; E172-L175 PolarHBondContact O-N 3.47Å; E172-S176 WeakPolarHBondContact O-CB 3.24Å; E172-S176 PolarHBondContact O-N 3.17Å; E172-S182 WeakPolarHBondContact OE1-CB 3.41Å; E172-S182 PolarHBondContact OE1-OG 3.39Å
173Y76.5Confident69.9Low24 Ų2460.2 Ų60.29%0.09429%0.287CS..Hα-helixtrans-61.1-45.6173.7176.3-90.9000111.9D169 L170 I171 L175 S176 R177 T187 D191 V194D169-Y173 WeakPolarHBondContact O-CB 3.31Å; D169-Y173 PolarHBondContact O-N 3.24Å; L170-Y173 WeakPolarHBondContact O-CB 3.22Å; L170-Y173 PolarHBondContact O-N 3.09Å; I171-Y173 VanDerWaalsContact C-N 3.3Å; I171-Y173 PolarHBondContact O-N 3.29Å; Y173-L175 VanDerWaalsContact C-N 3.35Å; Y173-L175 PolarHBondContact O-N 3.29Å; Y173-S176 WeakPolarHBondContact O-CB 3.46Å; Y173-S176 PolarHBondContact O-N 3.39Å; Y173-S176 VanDerWaalsContact O-N 3.16Å; Y173-S176 PolarHBondContact O-OG 3.23Å; Y173-R177 VanDerWaalsContact CE1-CZ 3.47Å; Y173-R177 VanDerWaalsContact CE1-NH2 3.28Å; Y173-R177 PolarHBondContact O-N 3.47Å; Y173-R177 PolarHBondContact OH-NH2 2.92Å; Y173-T187 WeakPolarHBondContact CD2-OG1 3.26Å; Y173-D191 PolarHBondContact OH-OD1 3.4Å; Y173-D191 VanDerWaalsContact OH-OD1 3.1Å; Y173-V194 HydrophobicContact CD1-CG1 3.5Å; Y173-V194 HydrophobicContact CD1-CG2 4.38Å; Y173-V194 HydrophobicContact CD2-CG2 4.44Å; Y173-V194 HydrophobicContact CE1-CB 4.05Å; Y173-V194 HydrophobicContact CE1-CG1 3.17Å; Y173-V194 HydrophobicContact CE1-CG2 4.17Å; Y173-V194 HydrophobicContact CE2-CG2 4.2Å; Y173-V194 HydrophobicContact CG-CG1 4.35Å; Y173-V194 HydrophobicContact CG-CG2 4.49Å
174Y72.4Confident68.7Low11 Ų1162.6 Ų62.64%0.04330%0.298CS..Hα-helixtrans-59.8-45.1174.6-84.1-75.8000112.4L154 L170 I171 S176 R177 C178 E198 F202L154-Y174 HydrophobicContact CD1-CD1 3.52Å; L154-Y174 HydrophobicContact CD1-CD2 3.91Å; L154-Y174 HydrophobicContact CD1-CE1 3.68Å; L154-Y174 HydrophobicContact CD1-CE2 4.12Å; L154-Y174 HydrophobicContact CD1-CG 3.63Å; L154-Y174 HydrophobicContact CD2-CG 4.45Å; L170-Y174 HydrophobicContact CD1-CD2 4.3Å; L170-Y174 HydrophobicContact CD1-CE2 3.75Å; L170-Y174 HydrophobicContact CD2-CE2 4.32Å; L170-Y174 HydrophobicContact CG-CD2 4.06Å; L170-Y174 HydrophobicContact CG-CE2 3.74Å; L170-Y174 WeakPolarHBondContact O-CD2 3.36Å; L170-Y174 PolarHBondContact O-N 2.89Å; I171-Y174 PolarHBondContact O-N 2.81Å; Y174-S176 VanDerWaalsContact C-N 3.25Å; Y174-S176 PolarHBondContact O-N 3.45Å; Y174-R177 WeakPolarHBondContact O-CB 3.38Å; Y174-R177 PolarHBondContact O-N 3.07Å; Y174-C178 PolarHBondContact O-N 2.95Å; Y174-E198 HydrophobicContact CE1-CG 4.45Å; Y174-E198 VanDerWaalsContact CE1-OE1 3.3Å; Y174-E198 WeakPolarHBondContact CE1-OE1 3.25Å; Y174-E198 VanDerWaalsContact CZ-OE1 3.28Å; Y174-E198 WeakPolarHBondContact OH-CA 3.46Å; Y174-E198 WeakPolarHBondContact OH-CB 3.43Å; Y174-E198 WeakPolarHBondContact OH-CG 3.34Å; Y174-E198 PolarHBondContact OH-OE1 2.87Å; Y174-F202 HydrophobicContact CD2-CE2 4.15Å; Y174-F202 HydrophobicContact CD2-CZ 4.27Å; Y174-F202 HydrophobicContact CE1-CD2 4.36Å; Y174-F202 HydrophobicContact CE1-CE2 4.26Å; Y174-F202 HydrophobicContact CE2-CD2 4.02Å; Y174-F202 AromaticContact CE2-CE2 3.22Å; Y174-F202 HydrophobicContact CE2-CE2 3.22Å; Y174-F202 AromaticContact CE2-CZ 3.76Å; Y174-F202 HydrophobicContact CE2-CZ 3.76Å; Y174-F202 AromaticContact CZ-CD2 3.57Å; Y174-F202 AromaticContact CZ-CE2 3.27Å; Y174-F202 WeakPolarHBondContact OH-CD2 3.4Å; Y174-F202 WeakPolarHBondContact OH-CE2 3.5Å
175L77.3Confident67.6Low4 Ų465.3 Ų65.32%0.02130%0.298CS..Hα-helixtrans-66.7-28.8177.6-68.3-179.3000112.2V89 L110 F119 L142 I171 E172 Y173 R177 C178 I180V89-L175 HydrophobicContact CG1-CD2 4.18Å; V89-L175 HydrophobicContact CG2-CD2 3.9Å; L110-L175 HydrophobicContact CD1-CD1 3.83Å; F119-L175 HydrophobicContact CE1-CD1 3.66Å; F119-L175 HydrophobicContact CZ-CD1 4Å; L142-L175 HydrophobicContact CD2-CD2 4.18Å; I171-L175 HydrophobicContact CG2-CD1 4.07Å; I171-L175 HydrophobicContact CG2-CG 4.33Å; I171-L175 VanDerWaalsContact O-CG 3.31Å; I171-L175 WeakPolarHBondContact O-CG 3.45Å; I171-L175 PolarHBondContact O-N 2.86Å; E172-L175 PolarHBondContact O-N 3.47Å; Y173-L175 VanDerWaalsContact C-N 3.35Å; Y173-L175 PolarHBondContact O-N 3.29Å; L175-R177 VanDerWaalsContact C-N 3.29Å; L175-R177 PolarHBondContact O-N 3.31Å; L175-C178 CarbonylContact O-C 3.6Å; L175-C178 WeakPolarHBondContact O-CA 3.15Å; L175-C178 VanDerWaalsContact O-CB 3.31Å; L175-C178 WeakPolarHBondContact O-CB 3.32Å; L175-C178 PolarHBondContact O-N 2.99Å; L175-I180 HydrophobicContact CB-CB 4.29Å; L175-I180 HydrophobicContact CB-CD1 3.72Å; L175-I180 HydrophobicContact CD1-CD1 4.36Å; L175-I180 HydrophobicContact CD2-CD1 3.77Å; L175-I180 HydrophobicContact CG-CD1 4.14Å; L175-I180 VanDerWaalsContact O-CB 3.32Å; L175-I180 WeakPolarHBondContact O-CB 3.21Å; L175-I180 PolarHBondContact O-N 3.37Å; L175-I180 VanDerWaalsContact O-N 3.1Å
176S72.5Confident66.5Low55 Ų5572.5 Ų72.539%0.38532%0.323SS..Hα-helixtrans-64.9-33174.884.10000112.6E172 Y173 Y174 C178 E179E172-S176 WeakPolarHBondContact O-CB 3.24Å; E172-S176 PolarHBondContact O-N 3.17Å; Y173-S176 WeakPolarHBondContact O-CB 3.46Å; Y173-S176 PolarHBondContact O-N 3.39Å; Y173-S176 VanDerWaalsContact O-N 3.16Å; Y173-S176 PolarHBondContact O-OG 3.23Å; Y174-S176 VanDerWaalsContact C-N 3.25Å; Y174-S176 PolarHBondContact O-N 3.45Å; S176-C178 VanDerWaalsContact C-N 3.26Å; S176-C178 PolarHBondContact O-N 2.82Å; S176-E179 WeakPolarHBondContact O-CA 3.26Å; S176-E179 PolarHBondContact O-N 3.03Å
177R65.5Low65.2Low111 Ų11173.2 Ų73.242%0.41933%0.327SS..Hα-helixtrans-68.6-27.6171.6-66.9-174.9177.5165.81.9111.9Y173 Y174 L175 E179 E198Y173-R177 VanDerWaalsContact CE1-CZ 3.47Å; Y173-R177 VanDerWaalsContact CE1-NH2 3.28Å; Y173-R177 PolarHBondContact O-N 3.47Å; Y173-R177 PolarHBondContact OH-NH2 2.92Å; Y174-R177 WeakPolarHBondContact O-CB 3.38Å; Y174-R177 PolarHBondContact O-N 3.07Å; L175-R177 VanDerWaalsContact C-N 3.29Å; L175-R177 PolarHBondContact O-N 3.31Å; R177-E179 PolarHBondContact O-N 2.92Å; R177-E179 VanDerWaalsContact O-N 3.13Å; R177-E198 IonicContact CZ-OE1 3.6Å; R177-E198 IonicContact CZ-OE2 3.16Å; R177-E198 VanDerWaalsContact NH1-CD 3.3Å; R177-E198 IonicContact NH1-OE1 3.8Å; R177-E198 PolarHBondContact NH1-OE1 3.3Å; R177-E198 IonicContact NH1-OE2 2.93Å; R177-E198 PolarHBondContact NH1-OE2 3.22Å; R177-E198 IonicContact NH2-OE1 3.52Å; R177-E198 PolarHBondContact NH2-OE1 3.35Å; R177-E198 VanDerWaalsContact NH2-OE1 3.16Å; R177-E198 IonicContact NH2-OE2 2.73Å; R177-E198 PolarHBondContact NH2-OE2 3.13Å; R177-E198 VanDerWaalsContact NH2-OE2 3.16Å
178C60Low63.8Low3 Ų376.2 Ų76.22%0.0236%0.357CS..THydrogen-bonded Turntrans-79.323.7168.9-55.30000112.5R87 S144 I146 V151 Y174 L175 S176 I180R87-C178 PolarHBondContact NH1-O 3.27Å; S144-C178 WeakPolarHBondContact CB-SG 3.42Å; S144-C178 PolarHBondContact OG-SG 3.18Å; S144-C178 VanDerWaalsContact OG-SG 3.32Å; I146-C178 VanDerWaalsContact CD1-O 3.26Å; I146-C178 WeakPolarHBondContact CD1-O 3.26Å; V151-C178 HydrophobicContact CG1-CB 4.3Å; Y174-C178 PolarHBondContact O-N 2.95Å; L175-C178 CarbonylContact O-C 3.6Å; L175-C178 WeakPolarHBondContact O-CA 3.15Å; L175-C178 VanDerWaalsContact O-CB 3.31Å; L175-C178 WeakPolarHBondContact O-CB 3.32Å; L175-C178 PolarHBondContact O-N 2.99Å; S176-C178 VanDerWaalsContact C-N 3.26Å; S176-C178 PolarHBondContact O-N 2.82Å; C178-I180 HydrophobicContact CB-CD1 4.45Å; C178-I180 PolarHBondContact O-N 3.23Å
179E68.2Low62.4Low106 Ų10675.3 Ų75.350%0.49535%0.352SS..THydrogen-bonded Turntrans54.417.7-176.9-63.9-175.1178.100115.5R87 I146 S176 R177 K181R87-E179 IonicContact CZ-OE2 3.86Å; R87-E179 PolarHBondContact NH1-O 3.45Å; R87-E179 IonicContact NH1-OE2 3.84Å; R87-E179 IonicContact NH2-OE2 3.7Å; R87-E179 PolarHBondContact NH2-OE2 2.73Å; R87-E179 VanDerWaalsContact NH2-OE2 3.13Å; I146-E179 HydrophobicContact CD1-CB 3.97Å; I146-E179 HydrophobicContact CD1-CG 4.2Å; S176-E179 WeakPolarHBondContact O-CA 3.26Å; S176-E179 PolarHBondContact O-N 3.03Å; R177-E179 PolarHBondContact O-N 2.92Å; R177-E179 VanDerWaalsContact O-N 3.13Å; E179-K181 VanDerWaalsContact C-N 3.3Å; E179-K181 WeakPolarHBondContact O-CG 3.18Å; E179-K181 PolarHBondContact O-N 3.31Å
180I64.3Low61.1Low6 Ų674 Ų743%0.03135%0.352CS..  trans-70.896.1171.5-63.9160.6000106.3V89 H114 C117 L175 C178 S182V89-I180 HydrophobicContact CG2-CD1 3.61Å; H114-I180 HydrophobicContact CB-CG2 4.09Å; C117-I180 HydrophobicContact CB-CD1 4.44Å; C117-I180 HydrophobicContact CB-CG1 4.27Å; C117-I180 HydrophobicContact CB-CG2 4.25Å; L175-I180 HydrophobicContact CB-CB 4.29Å; L175-I180 HydrophobicContact CB-CD1 3.72Å; L175-I180 HydrophobicContact CD1-CD1 4.36Å; L175-I180 HydrophobicContact CD2-CD1 3.77Å; L175-I180 HydrophobicContact CG-CD1 4.14Å; L175-I180 VanDerWaalsContact O-CB 3.32Å; L175-I180 WeakPolarHBondContact O-CB 3.21Å; L175-I180 PolarHBondContact O-N 3.37Å; L175-I180 VanDerWaalsContact O-N 3.1Å; C178-I180 HydrophobicContact CB-CD1 4.45Å; C178-I180 PolarHBondContact O-N 3.23Å; I180-S182 VanDerWaalsContact C-N 3.31Å; I180-S182 PolarHBondContact O-N 3.47Å
181K55.2Low60.3Low163 Ų16378.3 Ų78.371%0.70938%0.376SS*.  trans-7283.5-172.9-66.1-170.4-178.6-179.50110.1E179 K183E179-K181 VanDerWaalsContact C-N 3.3Å; E179-K181 WeakPolarHBondContact O-CG 3.18Å; E179-K181 PolarHBondContact O-N 3.31Å; K181-K183 PolarHBondContact O-N 2.88Å
182S48.3Very low59.2Low24 Ų2487.1 Ų87.117%0.16841%0.414CS..  trans-57.4132.6158.1-161.50000108.9H114 E172 I180 K184H114-S182 VanDerWaalsContact CE1-CB 3.42Å; H114-S182 WeakPolarHBondContact CE1-CB 2.9Å; H114-S182 PolarHBondContact CE1-OG 2.74Å; E172-S182 WeakPolarHBondContact OE1-CB 3.41Å; E172-S182 PolarHBondContact OE1-OG 3.39Å; I180-S182 VanDerWaalsContact C-N 3.31Å; I180-S182 PolarHBondContact O-N 3.47Å; S182-K184 VanDerWaalsContact C-N 3.3Å; S182-K184 PolarHBondContact O-N 3.47Å
183K46.9Very low58.2Low197 Ų19792.4 Ų92.486%0.85744%0.438SS*.SBendtrans-50.694.2172-102.4179.5174.4175.50109.2K181 R185K181-K183 PolarHBondContact O-N 2.88Å; K183-R185 PolarHBondContact O-N 3.14Å
184K39.9Very low57.4Low208 Ų20891.2 Ų91.290%0.90443%0.434SS*.SBendtrans31.833.9162.1-136-177.4-172.6-174.20117S182S182-K184 VanDerWaalsContact C-N 3.3Å; S182-K184 PolarHBondContact O-N 3.47Å
185R43.4Very low56.9Low193 Ų19397 Ų9773%0.72846%0.459SS*.  trans-94.289.2159.9-77.2-173.6172.9-177.3-1104.1K183 T187K183-R185 PolarHBondContact O-N 3.14Å; R185-T187 VanDerWaalsContact C-N 3.33Å; R185-T187 PolarHBondContact O-N 2.83Å
186R47.9Very low56.1Low225 Ų225104.1 Ų104.185%0.84949%0.49SS*.  trans-56112.9157.2-71.1175.695164.83.6103.5A188R186-A188 PolarHBondContact O-N 2.55Å
187T48.5Very low55.5Low24 Ų24104.3 Ų104.315%0.14749%0.486CS..  trans-47.6129.7173.642.80000106.7D169 Y173 R185 I189D169-T187 HydrophobicContact CB-CG2 4.16Å; Y173-T187 WeakPolarHBondContact CD2-OG1 3.26Å; R185-T187 VanDerWaalsContact C-N 3.33Å; R185-T187 PolarHBondContact O-N 2.83Å; T187-I189 PolarHBondContact O-N 3.23Å
188A50Low55.2Low109 Ų109100.2 Ų100.290%0.90147%0.472SS*.SBendtrans-64.11.2-173.600000113.7R186 A190R186-A188 PolarHBondContact O-N 2.55Å; A188-A190 PolarHBondContact O-N 3.2Å
189I54.6Low55.2Low29 Ų29106.4 Ų106.415%0.14950%0.501CS..SBendtrans-71.7117.9178.2-44.4170.7000107.7D169 T187 D191 E193 V194D169-I189 HydrophobicContact CB-CD1 3.91Å; T187-I189 PolarHBondContact O-N 3.23Å; I189-D191 PolarHBondContact O-N 2.94Å; I189-E193 HydrophobicContact CG2-CB 3.92Å; I189-V194 HydrophobicContact CB-CG2 3.7Å; I189-V194 HydrophobicContact CG2-CB 4.43Å; I189-V194 HydrophobicContact CG2-CG2 3.35Å
190A53.8Low54.7Low53 Ų53104.9 Ų104.944%0.43850%0.498SS..  trans-60.3135.9175.500000109.5A188 K192 E193 V194A188-A190 PolarHBondContact O-N 3.2Å; A190-K192 PolarHBondContact O-N 3.41Å; A190-E193 HydrophobicContact CB-CG 4.44Å; A190-E193 PolarHBondContact O-N 3Å; A190-V194 PolarHBondContact O-N 3.27Å; A190-V194 VanDerWaalsContact O-N 3.08Å
191D60.9Low54.3Low92 Ų92104.6 Ų104.649%0.49250%0.497SS..Hα-helixtrans-51.9-27.3-176-72.9-47.4000113.5Y173 I189 K195Y173-D191 PolarHBondContact OH-OD1 3.4Å; Y173-D191 VanDerWaalsContact OH-OD1 3.1Å; I189-D191 PolarHBondContact O-N 2.94Å; D191-K195 WeakPolarHBondContact O-CG 2.98Å; D191-K195 PolarHBondContact O-N 2.92Å
192K55.7Low54.4Low184 Ų18497.8 Ų97.880%0.847%0.467SS*.Hα-helixtrans-69.6-44.5174.1-69.6-174.5179.9179.30113.3A190 V194 K195 K196A190-K192 PolarHBondContact O-N 3.41Å; K192-V194 VanDerWaalsContact C-N 3.29Å; K192-K195 PolarHBondContact O-N 2.72Å; K192-K196 PolarHBondContact O-N 2.99Å; K192-K196 VanDerWaalsContact O-N 3.14Å
193E60Low54.5Low119 Ų11998.6 Ų98.656%0.55648%0.48SS*.Hα-helixtrans-65.9-38.8176.9-69-176.8152.600110.3I189 A190 K196 L197I189-E193 HydrophobicContact CG2-CB 3.92Å; A190-E193 HydrophobicContact CB-CG 4.44Å; A190-E193 PolarHBondContact O-N 3Å; E193-K196 PolarHBondContact O-N 3.42Å; E193-L197 WeakPolarHBondContact O-CB 3.46Å; E193-L197 WeakPolarHBondContact O-CG 3.39Å; E193-L197 PolarHBondContact O-N 3.46Å
194V60.8Low54.3Low0 Ų092 Ų920%047%0.467CS..Hα-helixtrans-57.4-58.8172.9-174.40000109.4L170 Y173 I189 A190 K192 K196 L197 E198L170-V194 HydrophobicContact CD1-CG1 4.07Å; Y173-V194 HydrophobicContact CD1-CG1 3.5Å; Y173-V194 HydrophobicContact CD1-CG2 4.38Å; Y173-V194 HydrophobicContact CD2-CG2 4.44Å; Y173-V194 HydrophobicContact CE1-CB 4.05Å; Y173-V194 HydrophobicContact CE1-CG1 3.17Å; Y173-V194 HydrophobicContact CE1-CG2 4.17Å; Y173-V194 HydrophobicContact CE2-CG2 4.2Å; Y173-V194 HydrophobicContact CG-CG1 4.35Å; Y173-V194 HydrophobicContact CG-CG2 4.49Å; I189-V194 HydrophobicContact CB-CG2 3.7Å; I189-V194 HydrophobicContact CG2-CB 4.43Å; I189-V194 HydrophobicContact CG2-CG2 3.35Å; A190-V194 PolarHBondContact O-N 3.27Å; A190-V194 VanDerWaalsContact O-N 3.08Å; K192-V194 VanDerWaalsContact C-N 3.29Å; V194-K196 VanDerWaalsContact C-N 3.25Å; V194-K196 PolarHBondContact O-N 2.87Å; V194-K196 VanDerWaalsContact O-N 3.15Å; V194-L197 CarbonylContact O-C 3.6Å; V194-L197 WeakPolarHBondContact O-CA 3.26Å; V194-L197 WeakPolarHBondContact O-CB 3.47Å; V194-L197 PolarHBondContact O-N 3.49Å; V194-E198 HydrophobicContact CG1-CG 3.64Å; V194-E198 WeakPolarHBondContact O-CG 3.31Å; V194-E198 PolarHBondContact O-N 3.43Å
195K62.3Low54.5Low133 Ų13387.3 Ų87.358%0.57845%0.452SS*.Hα-helixtrans-48.6-44.9-179.6-81-175.2178.8-174.10113.4D191 K192 E198 E199D191-K195 WeakPolarHBondContact O-CG 2.98Å; D191-K195 PolarHBondContact O-N 2.92Å; K192-K195 PolarHBondContact O-N 2.72Å; K195-E198 WeakPolarHBondContact O-CB 3.27Å; K195-E198 PolarHBondContact O-N 3.1Å; K195-E199 PolarHBondContact O-N 3.28Å; K195-E199 VanDerWaalsContact O-N 3.12Å
196K59.4Low54.3Low153 Ų15381.8 Ų81.867%0.66544%0.443SS*.Hα-helixtrans-64-43.4177.4-167.8-179.1-177.2-177.10111.9K192 E193 V194 E198 V200K192-K196 PolarHBondContact O-N 2.99Å; K192-K196 VanDerWaalsContact O-N 3.14Å; E193-K196 PolarHBondContact O-N 3.42Å; V194-K196 VanDerWaalsContact C-N 3.25Å; V194-K196 PolarHBondContact O-N 2.87Å; V194-K196 VanDerWaalsContact O-N 3.15Å; K196-E198 VanDerWaalsContact C-N 3.34Å; K196-V200 VanDerWaalsContact O-CG2 3.27Å; K196-V200 WeakPolarHBondContact O-CG2 3.37Å; K196-V200 PolarHBondContact O-N 3.16Å
197L60Low53.8Low58 Ų5878.7 Ų78.730%0.30444%0.436SS..Hα-helixtrans-67.1-34173.6-70169.6000111.7L170 E193 V194 E199 V200 V201L170-L197 HydrophobicContact CD1-CB 4.49Å; E193-L197 WeakPolarHBondContact O-CB 3.46Å; E193-L197 WeakPolarHBondContact O-CG 3.39Å; E193-L197 PolarHBondContact O-N 3.46Å; V194-L197 CarbonylContact O-C 3.6Å; V194-L197 WeakPolarHBondContact O-CA 3.26Å; V194-L197 WeakPolarHBondContact O-CB 3.47Å; V194-L197 PolarHBondContact O-N 3.49Å; L197-E199 PolarHBondContact O-N 3.44Å; L197-V200 PolarHBondContact O-N 3.03Å; L197-V201 WeakPolarHBondContact O-CB 3.49Å; L197-V201 WeakPolarHBondContact O-CG2 3.15Å; L197-V201 PolarHBondContact O-N 3.4Å
198E59.8Low53Low26 Ų2684.5 Ų84.512%0.12146%0.459CS..Hα-helixtrans-59.7-47.4177.1-49.4-157.9127.200110.8Y174 R177 V194 K195 K196 V200 F202Y174-E198 HydrophobicContact CE1-CG 4.45Å; Y174-E198 VanDerWaalsContact CE1-OE1 3.3Å; Y174-E198 WeakPolarHBondContact CE1-OE1 3.25Å; Y174-E198 VanDerWaalsContact CZ-OE1 3.28Å; Y174-E198 WeakPolarHBondContact OH-CA 3.46Å; Y174-E198 WeakPolarHBondContact OH-CB 3.43Å; Y174-E198 WeakPolarHBondContact OH-CG 3.34Å; Y174-E198 PolarHBondContact OH-OE1 2.87Å; R177-E198 IonicContact CZ-OE1 3.6Å; R177-E198 IonicContact CZ-OE2 3.16Å; R177-E198 VanDerWaalsContact NH1-CD 3.3Å; R177-E198 IonicContact NH1-OE1 3.8Å; R177-E198 PolarHBondContact NH1-OE1 3.3Å; R177-E198 IonicContact NH1-OE2 2.93Å; R177-E198 PolarHBondContact NH1-OE2 3.22Å; R177-E198 IonicContact NH2-OE1 3.52Å; R177-E198 PolarHBondContact NH2-OE1 3.35Å; R177-E198 VanDerWaalsContact NH2-OE1 3.16Å; R177-E198 IonicContact NH2-OE2 2.73Å; R177-E198 PolarHBondContact NH2-OE2 3.13Å; R177-E198 VanDerWaalsContact NH2-OE2 3.16Å; V194-E198 HydrophobicContact CG1-CG 3.64Å; V194-E198 WeakPolarHBondContact O-CG 3.31Å; V194-E198 PolarHBondContact O-N 3.43Å; K195-E198 WeakPolarHBondContact O-CB 3.27Å; K195-E198 PolarHBondContact O-N 3.1Å; K196-E198 VanDerWaalsContact C-N 3.34Å; E198-V200 PolarHBondContact O-N 2.88Å; E198-F202 WeakPolarHBondContact O-CB 3.44Å; E198-F202 WeakPolarHBondContact O-CD2 3.43Å; E198-F202 PolarHBondContact O-N 2.83Å
199E60.1Low52.1Low133 Ų13382.2 Ų82.262%0.62143%0.434SS*.Hα-helixtrans-62-43.4176.5-72176.6178.600112K195 L197 G203K195-E199 PolarHBondContact O-N 3.28Å; K195-E199 VanDerWaalsContact O-N 3.12Å; L197-E199 PolarHBondContact O-N 3.44Å; E199-G203 VanDerWaalsContact O-CA 3.26Å; E199-G203 WeakPolarHBondContact O-CA 3.41Å; E199-G203 PolarHBondContact O-N 3.1Å
200V57.8Low50.8Low74 Ų7483.4 Ų83.445%0.44845%0.454SS..Hα-helixtrans-70.6-37.4-178.3172.40000112.7K196 L197 E198K196-V200 VanDerWaalsContact O-CG2 3.27Å; K196-V200 WeakPolarHBondContact O-CG2 3.37Å; K196-V200 PolarHBondContact O-N 3.16Å; L197-V200 PolarHBondContact O-N 3.03Å; E198-V200 PolarHBondContact O-N 2.88Å
201V56Low49.7Very low0 Ų086.8 Ų86.80%046%0.46CS..Hα-helixtrans-92.4-28.3-171.7177.70000112.2S157 C160 K165 L166 L170 L197S157-V201 WeakPolarHBondContact CB-O 3.24Å; S157-V201 PolarHBondContact N-O 3.08Å; S157-V201 PolarHBondContact OG-O 3.45Å; C160-V201 HydrophobicContact CB-CB 4.18Å; C160-V201 HydrophobicContact CB-CG1 3.6Å; C160-V201 HydrophobicContact CB-CG2 4.25Å; C160-V201 PolarHBondContact SG-O 2.62Å; K165-V201 HydrophobicContact CB-CG2 4.15Å; L166-V201 HydrophobicContact CD1-CG1 3.94Å; L170-V201 HydrophobicContact CD2-CG2 4.38Å; L197-V201 WeakPolarHBondContact O-CB 3.49Å; L197-V201 WeakPolarHBondContact O-CG2 3.15Å; L197-V201 PolarHBondContact O-N 3.4Å
202F55.4Low48.2Very low19 Ų1985.9 Ų85.98%0.08346%0.455CS..Hα-helixtrans-122.63.3-174.6-50.8-78.4000113.3L154 R155 L166 L170 Y174 E198 G204L154-F202 HydrophobicContact CD1-CD1 3.46Å; L154-F202 VanDerWaalsContact CD1-CD1 3.46Å; L154-F202 HydrophobicContact CD1-CD2 4.2Å; L154-F202 HydrophobicContact CD1-CE1 3.11Å; L154-F202 HydrophobicContact CD1-CE2 3.87Å; L154-F202 HydrophobicContact CD1-CG 4.02Å; L154-F202 HydrophobicContact CD1-CZ 3.32Å; L154-F202 HydrophobicContact CD2-CE1 3.97Å; L154-F202 HydrophobicContact CD2-CZ 4.13Å; L154-F202 HydrophobicContact CG-CD1 3.89Å; L154-F202 HydrophobicContact CG-CE1 3.31Å; L154-F202 HydrophobicContact CG-CZ 3.83Å; R155-F202 VanDerWaalsContact O-CD1 3.24Å; R155-F202 WeakPolarHBondContact O-CD1 3.26Å; L166-F202 HydrophobicContact CD1-CZ 4.27Å; L170-F202 HydrophobicContact CD2-CE2 4.4Å; Y174-F202 HydrophobicContact CD2-CE2 4.15Å; Y174-F202 HydrophobicContact CD2-CZ 4.27Å; Y174-F202 HydrophobicContact CE1-CD2 4.36Å; Y174-F202 HydrophobicContact CE1-CE2 4.26Å; Y174-F202 HydrophobicContact CE2-CD2 4.02Å; Y174-F202 AromaticContact CE2-CE2 3.22Å; Y174-F202 HydrophobicContact CE2-CE2 3.22Å; Y174-F202 AromaticContact CE2-CZ 3.76Å; Y174-F202 HydrophobicContact CE2-CZ 3.76Å; Y174-F202 AromaticContact CZ-CD2 3.57Å; Y174-F202 AromaticContact CZ-CE2 3.27Å; Y174-F202 WeakPolarHBondContact OH-CD2 3.4Å; Y174-F202 WeakPolarHBondContact OH-CE2 3.5Å; E198-F202 WeakPolarHBondContact O-CB 3.44Å; E198-F202 WeakPolarHBondContact O-CD2 3.43Å; E198-F202 PolarHBondContact O-N 2.83Å; F202-G204 PolarHBondContact O-N 3.07Å
203G50.3Low47.1Very low42 Ų4280.2 Ų80.243%0.43343%0.434SS..THydrogen-bonded Turntrans67.336.6165.800000114.9E199 N205E199-G203 VanDerWaalsContact O-CA 3.26Å; E199-G203 WeakPolarHBondContact O-CA 3.41Å; E199-G203 PolarHBondContact O-N 3.1Å; G203-N205 PolarHBondContact O-N 3.29Å
204G43.4Very low46.1Very low58 Ų5875.6 Ų75.660%0.59841%0.413SS*.THydrogen-bonded Turntrans62.4-3.3174.300000116.1F202F202-G204 PolarHBondContact O-N 3.07Å
205N43.5Very low45Very low110 Ų11081.5 Ų81.559%0.58844%0.44SS*.  trans-102.327.4-173.5-84.4-42000112.7G203 K207G203-N205 PolarHBondContact O-N 3.29Å; N205-K207 PolarHBondContact O-N 3Å
206S40.8Very low44Very low76 Ų7675.8 Ų75.853%0.53142%0.416SS..  trans-7162.616277.50000109F208S206-F208 VanDerWaalsContact C-N 3.34Å; S206-F208 PolarHBondContact O-N 3.47Å
207K36.6Very low43Very low160 Ų16072.7 Ų72.770%0.69640%0.404SS*.  trans-65.3107.4160.8-68.4-164.5-179.8-173.70104.4N205 V209N205-K207 PolarHBondContact O-N 3Å; K207-V209 WeakPolarHBondContact O-CG2 3.43Å; K207-V209 PolarHBondContact O-N 3.29Å
208F30.9Very low41.9Very low147 Ų14778.9 Ų78.965%0.64543%0.429SS*.  trans-49.6100160.1-143.2-95.4000105V151 S206 G210V151-F208 WeakPolarHBondContact O-CZ 3.38Å; S206-F208 VanDerWaalsContact C-N 3.34Å; S206-F208 PolarHBondContact O-N 3.47Å; F208-G210 PolarHBondContact O-N 3.46Å
209V31.3Very low40.7Very low60 Ų6082.1 Ų82.136%0.36445%0.447SS..  trans-75.290.8176.5-1760000103.8F153 K207 H211F153-V209 HydrophobicContact CE2-CB 4.49Å; K207-V209 WeakPolarHBondContact O-CG2 3.43Å; K207-V209 PolarHBondContact O-N 3.29Å; V209-H211 PolarHBondContact O-N 3.1Å; V209-H211 VanDerWaalsContact O-N 3.17Å
210G28.9Very low39.6Very low55 Ų5577.2 Ų77.257%0.56743%0.427SS*.THydrogen-bonded Turntrans-46.2123.6176.900000109.4F208 L212F208-G210 PolarHBondContact O-N 3.46Å; G210-L212 PolarHBondContact O-N 3.42Å; G210-L212 VanDerWaalsContact O-N 3.12Å
211H30.6Very low38.8Very low124 Ų12483 Ų8357%0.57444%0.441SS*.THydrogen-bonded Turntrans44.155.8158.6-150.352.6000114.2Q149 V209 D213Q149-H211 PolarHBondContact OE1-CE1 3.04Å; V209-H211 PolarHBondContact O-N 3.1Å; V209-H211 VanDerWaalsContact O-N 3.17Å; H211-D213 VanDerWaalsContact CE1-CG 3.44Å; H211-D213 IonicContact CE1-OD1 3.16Å; H211-D213 PolarHBondContact CE1-OD1 3.34Å; H211-D213 IonicContact CE1-OD2 3.13Å; H211-D213 IonicContact ND1-OD1 3.18Å; H211-D213 IonicContact NE2-OD1 3.06Å; H211-D213 IonicContact NE2-OD2 3.6Å; H211-D213 PolarHBondContact NE2-OD2 3.14Å; H211-D213 PolarHBondContact O-N 2.94Å
212L29.4Very low38.2Very low72 Ų7289.4 Ų89.438%0.37747%0.474SS..  trans-72.292.1151-140.581.6000105.5R133 T150 G210 V214R133-L212 VanDerWaalsContact O-CD2 3.26Å; R133-L212 WeakPolarHBondContact O-CD2 3.5Å; T150-L212 PolarHBondContact OG1-O 3.49Å; G210-L212 PolarHBondContact O-N 3.42Å; G210-L212 VanDerWaalsContact O-N 3.12Å; L212-V214 PolarHBondContact O-N 2.81Å
213D31.9Very low37.6Very low66 Ų6692.4 Ų92.435%0.35349%0.494SS..  trans-61.379.1164.7-104.1-9.2000107.2H211 H215H211-D213 VanDerWaalsContact CE1-CG 3.44Å; H211-D213 IonicContact CE1-OD1 3.16Å; H211-D213 PolarHBondContact CE1-OD1 3.34Å; H211-D213 IonicContact CE1-OD2 3.13Å; H211-D213 IonicContact ND1-OD1 3.18Å; H211-D213 IonicContact NE2-OD1 3.06Å; H211-D213 IonicContact NE2-OD2 3.6Å; H211-D213 PolarHBondContact NE2-OD2 3.14Å; H211-D213 PolarHBondContact O-N 2.94Å; D213-H215 PolarHBondContact O-N 3.37Å; D213-H215 IonicContact OD1-ND1 3.33Å; D213-H215 IonicContact OD2-CE1 3.55Å; D213-H215 PolarHBondContact OD2-CE1 2.83Å; D213-H215 VanDerWaalsContact OD2-CE1 3.29Å; D213-H215 IonicContact OD2-ND1 3.29Å; D213-H215 PolarHBondContact OD2-ND1 3.49Å
214V39.8Very low36.8Very low22 Ų2298.2 Ų98.213%0.13350%0.503CS..  trans-64.980146.4-174.80000102.6F79 L134 T150 L212 L216F79-V214 HydrophobicContact CE1-CG1 4.44Å; L134-V214 HydrophobicContact CD2-CG2 3.75Å; T150-V214 HydrophobicContact CG2-CG2 3.97Å; L212-V214 PolarHBondContact O-N 2.81Å; V214-L216 HydrophobicContact CG1-CG 4.34Å; V214-L216 PolarHBondContact O-N 2.96Å
215H36.9Very low36.7Very low123 Ų123102.7 Ų102.757%0.56950%0.503SS*.  trans-55.994.1158.1-99.657.8000103.6D213 Q217D213-H215 PolarHBondContact O-N 3.37Å; D213-H215 IonicContact OD1-ND1 3.33Å; D213-H215 IonicContact OD2-CE1 3.55Å; D213-H215 PolarHBondContact OD2-CE1 2.83Å; D213-H215 VanDerWaalsContact OD2-CE1 3.29Å; D213-H215 IonicContact OD2-ND1 3.29Å; D213-H215 PolarHBondContact OD2-ND1 3.49Å; H215-Q217 WeakPolarHBondContact O-CA 3.45Å; H215-Q217 PolarHBondContact O-N 3.34Å
216L42.3Very low36.5Very low14 Ų14103.4 Ų103.47%0.07350%0.501CS..  trans-65.675.9172.5-122.7153.1000103.3F79 K83 F145 G148 V214 K218F79-L216 HydrophobicContact CB-CD2 4.32Å; F79-L216 HydrophobicContact CD1-CD2 3.62Å; F79-L216 HydrophobicContact CD1-CG 4.1Å; F79-L216 HydrophobicContact CE1-CD2 4.49Å; F79-L216 HydrophobicContact CG-CD2 4.46Å; K83-L216 HydrophobicContact CG-CD2 4.16Å; F145-L216 HydrophobicContact CD1-CD1 4.34Å; G148-L216 VanDerWaalsContact CA-CD1 3.44Å; G148-L216 VanDerWaalsContact O-CD1 3.31Å; G148-L216 WeakPolarHBondContact O-CD1 3.17Å; V214-L216 HydrophobicContact CG1-CG 4.34Å; V214-L216 PolarHBondContact O-N 2.96Å; L216-K218 PolarHBondContact O-N 3.37Å
217Q36.7Very low36.3Very low87 Ų87104.2 Ų104.241%0.40750%0.499SS..  trans-47.9103.5-150.4-98.7177.6-46.800110K83 H215 D219K83-Q217 WeakPolarHBondContact CE-O 3.23Å; K83-Q217 PolarHBondContact NZ-O 3.28Å; K83-Q217 VanDerWaalsContact NZ-O 3.15Å; H215-Q217 WeakPolarHBondContact O-CA 3.45Å; H215-Q217 PolarHBondContact O-N 3.34Å; Q217-D219 VanDerWaalsContact CG-O 3.29Å; Q217-D219 WeakPolarHBondContact CG-O 3.11Å; Q217-D219 PolarHBondContact NE2-O 3.36Å
218K38Very low37Very low188 Ų188100.6 Ų100.682%0.81749%0.486SS*.SBendtrans-67.1-22150-77.9-170176.9177.80110.1L216L216-K218 PolarHBondContact O-N 3.37Å
219D34.9Very low37.9Very low95 Ų9597.9 Ų97.951%0.50848%0.478SS..SBendtrans-119.976.9179-73.5-59.1000111.1Q217 R221Q217-D219 VanDerWaalsContact CG-O 3.29Å; Q217-D219 WeakPolarHBondContact CG-O 3.11Å; Q217-D219 PolarHBondContact NE2-O 3.36Å; D219-R221 VanDerWaalsContact C-N 3.34Å; D219-R221 PolarHBondContact O-N 2.92Å
220S35.4Very low38.6Very low29 Ų29101.2 Ų101.220%0.20349%0.485CS..  trans-58.5105.1159.2174.30000107.2L222 V223 R224S220-L222 PolarHBondContact O-N 3.43Å; S220-L222 WeakPolarHBondContact OG-CA 3.42Å; S220-L222 VanDerWaalsContact OG-CB 3.25Å; S220-L222 WeakPolarHBondContact OG-CB 3.18Å; S220-L222 PolarHBondContact OG-N 3.04Å; S220-V223 CarbonylContact O-C 3.6Å; S220-V223 WeakPolarHBondContact O-CA 3.26Å; S220-V223 WeakPolarHBondContact O-CB 3.4Å; S220-V223 PolarHBondContact O-N 3.2Å; S220-V223 PolarHBondContact OG-N 3.13Å; S220-R224 PolarHBondContact O-N 2.87Å
221R41.9Very low39.6Very low195 Ų195105.7 Ų105.774%0.73649%0.488SS*.Hα-helixtrans-56.4-24.6164.7-77-172.9-162.1178.95.6109.9D219 R224 Y225D219-R221 VanDerWaalsContact C-N 3.34Å; D219-R221 PolarHBondContact O-N 2.92Å; R221-R224 PolarHBondContact O-N 2.56Å; R221-Y225 VanDerWaalsContact O-CB 3.3Å; R221-Y225 WeakPolarHBondContact O-CB 3.39Å; R221-Y225 WeakPolarHBondContact O-CD2 3.32Å; R221-Y225 PolarHBondContact O-N 3.08Å
222L43.4Very low40.6Very low135 Ų135108.8 Ų108.871%0.70750%0.495SS*.Hα-helixtrans-66.8-37.3167.4-82.2160.3000111.9S220 Y225 F226S220-L222 PolarHBondContact O-N 3.43Å; S220-L222 WeakPolarHBondContact OG-CA 3.42Å; S220-L222 VanDerWaalsContact OG-CB 3.25Å; S220-L222 WeakPolarHBondContact OG-CB 3.18Å; S220-L222 PolarHBondContact OG-N 3.04Å; L222-Y225 PolarHBondContact O-N 2.82Å; L222-F226 WeakPolarHBondContact O-CA 3.49Å; L222-F226 WeakPolarHBondContact O-CB 3.41Å; L222-F226 PolarHBondContact O-N 3.47Å
223V43.7Very low41.6Very low83 Ų83109.2 Ų109.250%0.50350%0.503SS..Hα-helixtrans-70.8-35.6170.7176.50000111.5S220 F226 L227S220-V223 CarbonylContact O-C 3.6Å; S220-V223 WeakPolarHBondContact O-CA 3.26Å; S220-V223 WeakPolarHBondContact O-CB 3.4Å; S220-V223 PolarHBondContact O-N 3.2Å; S220-V223 PolarHBondContact OG-N 3.13Å; V223-F226 PolarHBondContact O-N 3.44Å; V223-L227 HydrophobicContact CG1-CD1 4.13Å; V223-L227 VanDerWaalsContact O-CB 3.32Å; V223-L227 WeakPolarHBondContact O-CB 3.44Å; V223-L227 PolarHBondContact O-N 2.9Å
224R33.6Very low42.3Very low164 Ų164111.9 Ų111.962%0.61952%0.517SS*.Hα-helixtrans-65.9-42.4170.4-96.7-172.4-160.7-170.97.7112S220 R221 L227 I228S220-R224 PolarHBondContact O-N 2.87Å; R221-R224 PolarHBondContact O-N 2.56Å; R224-L227 PolarHBondContact O-N 3.17Å; R224-I228 VanDerWaalsContact O-CB 3.23Å; R224-I228 WeakPolarHBondContact O-CB 3.15Å; R224-I228 WeakPolarHBondContact O-CD1 3.19Å; R224-I228 WeakPolarHBondContact O-CG1 3.42Å; R224-I228 PolarHBondContact O-N 3.05Å
225Y40.9Very low42.6Very low151 Ų151117.7 Ų117.759%0.59254%0.54SS*.Hα-helixtrans-67.2-38174.3-95.8-85.6000111.1R221 L222 I228 I229R221-Y225 VanDerWaalsContact O-CB 3.3Å; R221-Y225 WeakPolarHBondContact O-CB 3.39Å; R221-Y225 WeakPolarHBondContact O-CD2 3.32Å; R221-Y225 PolarHBondContact O-N 3.08Å; L222-Y225 PolarHBondContact O-N 2.82Å; Y225-I228 PolarHBondContact O-N 3.19Å; Y225-I229 HydrophobicContact CD1-CD1 4.5Å; Y225-I229 WeakPolarHBondContact O-CB 3.4Å; Y225-I229 WeakPolarHBondContact O-CD1 2.92Å; Y225-I229 WeakPolarHBondContact O-CG1 3.32Å; Y225-I229 PolarHBondContact O-N 3.49Å
226F39.1Very low43Very low125 Ų125119.8 Ų119.855%0.54854%0.544SS..Hα-helixtrans-68.3-39.2175.3-142.5-105.7000110.5L222 V223 Y230L222-F226 WeakPolarHBondContact O-CA 3.49Å; L222-F226 WeakPolarHBondContact O-CB 3.41Å; L222-F226 PolarHBondContact O-N 3.47Å; V223-F226 PolarHBondContact O-N 3.44Å; F226-Y230 AromaticContact CD1-CD2 3.48Å; F226-Y230 HydrophobicContact CD1-CD2 3.48Å; F226-Y230 VanDerWaalsContact CD1-CD2 3.48Å; F226-Y230 AromaticContact CD1-CE2 3.47Å; F226-Y230 HydrophobicContact CD1-CE2 3.47Å; F226-Y230 VanDerWaalsContact CD1-CE2 3.47Å; F226-Y230 HydrophobicContact CD1-CG 4.49Å; F226-Y230 HydrophobicContact CD2-CE2 4.44Å; F226-Y230 AromaticContact CE1-CD2 3.58Å; F226-Y230 HydrophobicContact CE1-CD2 3.58Å; F226-Y230 AromaticContact CE1-CE2 3.01Å; F226-Y230 HydrophobicContact CE1-CE2 3.01Å; F226-Y230 AromaticContact CE1-CZ 3.7Å; F226-Y230 HydrophobicContact CE2-CE2 4.07Å; F226-Y230 HydrophobicContact CG-CD2 4.07Å; F226-Y230 HydrophobicContact CG-CE2 4.18Å; F226-Y230 HydrophobicContact CZ-CD2 4.21Å; F226-Y230 AromaticContact CZ-CE2 3.37Å; F226-Y230 HydrophobicContact CZ-CE2 3.37Å; F226-Y230 WeakPolarHBondContact O-CB 3.3Å; F226-Y230 VanDerWaalsContact O-CD2 3.27Å; F226-Y230 WeakPolarHBondContact O-CD2 3.39Å; F226-Y230 PolarHBondContact O-N 2.9Å
227L37.1Very low43.4Very low93 Ų93127.9 Ų127.949%0.48758%0.578SS.*Hα-helixtrans-70.8-34.4173.3-117.892.5000112.3V223 R224 K231V223-L227 HydrophobicContact CG1-CD1 4.13Å; V223-L227 VanDerWaalsContact O-CB 3.32Å; V223-L227 WeakPolarHBondContact O-CB 3.44Å; V223-L227 PolarHBondContact O-N 2.9Å; R224-L227 PolarHBondContact O-N 3.17Å; L227-K231 WeakPolarHBondContact O-CA 3.38Å; L227-K231 WeakPolarHBondContact O-CB 3.48Å; L227-K231 WeakPolarHBondContact O-CG 3.48Å; L227-K231 PolarHBondContact O-N 3.42Å
228I49.8Very low44Very low84 Ų84132.5 Ų132.543%0.43160%0.597SS.*Hα-helixtrans-70.5-41.9176.2-72.1163.6000109.7R224 Y225 R232R224-I228 VanDerWaalsContact O-CB 3.23Å; R224-I228 WeakPolarHBondContact O-CB 3.15Å; R224-I228 WeakPolarHBondContact O-CD1 3.19Å; R224-I228 WeakPolarHBondContact O-CG1 3.42Å; R224-I228 PolarHBondContact O-N 3.05Å; Y225-I228 PolarHBondContact O-N 3.19Å; I228-R232 VanDerWaalsContact O-CB 3.25Å; I228-R232 WeakPolarHBondContact O-CB 3.39Å; I228-R232 PolarHBondContact O-N 3.05Å
229I51.4Low44.6Very low90 Ų90128.2 Ų128.246%0.46259%0.586SS.*Hα-helixtrans-68.8-44175.9-68.5166.4000110Y225 R232 C233Y225-I229 HydrophobicContact CD1-CD1 4.5Å; Y225-I229 WeakPolarHBondContact O-CB 3.4Å; Y225-I229 WeakPolarHBondContact O-CD1 2.92Å; Y225-I229 WeakPolarHBondContact O-CG1 3.32Å; Y225-I229 PolarHBondContact O-N 3.49Å; I229-R232 PolarHBondContact O-N 2.91Å; I229-C233 VanDerWaalsContact O-CB 3.31Å; I229-C233 WeakPolarHBondContact O-CB 3.45Å; I229-C233 PolarHBondContact O-N 3.24Å
230Y45Very low45.1Very low131 Ų131135.8 Ų135.851%0.51461%0.608SS.*Hα-helixtrans-69.5-41.4177-91.1-101.1000112.5F226 C233 L234F226-Y230 AromaticContact CD1-CD2 3.48Å; F226-Y230 HydrophobicContact CD1-CD2 3.48Å; F226-Y230 VanDerWaalsContact CD1-CD2 3.48Å; F226-Y230 AromaticContact CD1-CE2 3.47Å; F226-Y230 HydrophobicContact CD1-CE2 3.47Å; F226-Y230 VanDerWaalsContact CD1-CE2 3.47Å; F226-Y230 HydrophobicContact CD1-CG 4.49Å; F226-Y230 HydrophobicContact CD2-CE2 4.44Å; F226-Y230 AromaticContact CE1-CD2 3.58Å; F226-Y230 HydrophobicContact CE1-CD2 3.58Å; F226-Y230 AromaticContact CE1-CE2 3.01Å; F226-Y230 HydrophobicContact CE1-CE2 3.01Å; F226-Y230 AromaticContact CE1-CZ 3.7Å; F226-Y230 HydrophobicContact CE2-CE2 4.07Å; F226-Y230 HydrophobicContact CG-CD2 4.07Å; F226-Y230 HydrophobicContact CG-CE2 4.18Å; F226-Y230 HydrophobicContact CZ-CD2 4.21Å; F226-Y230 AromaticContact CZ-CE2 3.37Å; F226-Y230 HydrophobicContact CZ-CE2 3.37Å; F226-Y230 WeakPolarHBondContact O-CB 3.3Å; F226-Y230 VanDerWaalsContact O-CD2 3.27Å; F226-Y230 WeakPolarHBondContact O-CD2 3.39Å; F226-Y230 PolarHBondContact O-N 2.9Å; Y230-C233 PolarHBondContact O-N 3.09Å; Y230-L234 WeakPolarHBondContact O-CB 3.39Å; Y230-L234 WeakPolarHBondContact O-CD1 3.4Å; Y230-L234 PolarHBondContact O-N 2.74Å
231K50.1Low45.6Very low148 Ų148141.1 Ų141.164%0.64363%0.628SS**Hα-helixtrans-67.6-34.2174.5-78.2-171.2172.6-175.30111.9L227 F235L227-K231 WeakPolarHBondContact O-CA 3.38Å; L227-K231 WeakPolarHBondContact O-CB 3.48Å; L227-K231 WeakPolarHBondContact O-CG 3.48Å; L227-K231 PolarHBondContact O-N 3.42Å; K231-F235 VanDerWaalsContact O-CB 3.29Å; K231-F235 WeakPolarHBondContact O-CB 3.33Å; K231-F235 PolarHBondContact O-N 2.86Å
232R52.3Low45.7Very low190 Ų190138.3 Ų138.372%0.71762%0.622SS**Hα-helixtrans-71-39.2171.6-89.8179.2144.9163.8-6.9112.6I228 I229 F235 W236I228-R232 VanDerWaalsContact O-CB 3.25Å; I228-R232 WeakPolarHBondContact O-CB 3.39Å; I228-R232 PolarHBondContact O-N 3.05Å; I229-R232 PolarHBondContact O-N 2.91Å; R232-F235 PolarHBondContact O-N 2.9Å; R232-W236 WeakPolarHBondContact O-CB 3.45Å; R232-W236 PolarHBondContact O-N 3.25Å
233C49.1Very low45.9Very low81 Ų81138.4 Ų138.455%0.54762%0.618SS.*Hα-helixtrans-65.9-37.9174-87.20000112.4I229 Y230 W236 K237I229-C233 VanDerWaalsContact O-CB 3.31Å; I229-C233 WeakPolarHBondContact O-CB 3.45Å; I229-C233 PolarHBondContact O-N 3.24Å; Y230-C233 PolarHBondContact O-N 3.09Å; C233-W236 PolarHBondContact O-N 3.27Å; C233-K237 PolarHBondContact O-N 3.27Å; C233-K237 VanDerWaalsContact O-N 3.09Å
234L48.2Very low46Very low121 Ų121141.7 Ų141.763%0.63462%0.624SS**Hα-helixtrans-71-33.5173.5-96.8124.2000112.6Y230 W236 K237 K238Y230-L234 WeakPolarHBondContact O-CB 3.39Å; Y230-L234 WeakPolarHBondContact O-CD1 3.4Å; Y230-L234 PolarHBondContact O-N 2.74Å; L234-W236 VanDerWaalsContact C-N 3.34Å; L234-K237 PolarHBondContact O-N 2.92Å; L234-K238 PolarHBondContact O-N 3.03Å
235F45.4Very low46.8Very low144 Ų144140.3 Ų140.363%0.63263%0.625SS**Hα-helixtrans-67.5-36.2172.9-168.3-101000111.8K231 R232 K238 T239K231-F235 VanDerWaalsContact O-CB 3.29Å; K231-F235 WeakPolarHBondContact O-CB 3.33Å; K231-F235 PolarHBondContact O-N 2.86Å; R232-F235 PolarHBondContact O-N 2.9Å; F235-K238 PolarHBondContact O-N 3.44Å; F235-T239 PolarHBondContact O-OG1 2.78Å
236W45.7Very low47.2Very low168 Ų168139.6 Ų139.664%0.63663%0.627SS**Hα-helixtrans-71.3-28.6176.2-133.473000113.3R232 C233 L234 K238R232-W236 WeakPolarHBondContact O-CB 3.45Å; R232-W236 PolarHBondContact O-N 3.25Å; C233-W236 PolarHBondContact O-N 3.27Å; L234-W236 VanDerWaalsContact C-N 3.34Å; W236-K238 VanDerWaalsContact C-N 3.31Å; W236-K238 PolarHBondContact O-N 3.15Å
237K49.5Very low47.8Very low184 Ų184140.6 Ų140.680%0.863%0.633SS**THydrogen-bonded Turntrans-78.8-6.2172.2-93.1-170.2175.6-174.70115C233 L234C233-K237 PolarHBondContact O-N 3.27Å; C233-K237 VanDerWaalsContact O-N 3.09Å; L234-K237 PolarHBondContact O-N 2.92Å
238K50.8Low48.6Very low184 Ų184144.3 Ų144.380%0.864%0.644SS**THydrogen-bonded Turntrans-108.91.7177.8-145.3175.3-176.4-179.40113.6L234 F235 W236L234-K238 PolarHBondContact O-N 3.03Å; F235-K238 PolarHBondContact O-N 3.44Å; W236-K238 VanDerWaalsContact C-N 3.31Å; W236-K238 PolarHBondContact O-N 3.15Å
239T48.9Very low48.5Very low97 Ų97149.3 Ų149.360%0.59566%0.662SS**  trans-125.219.1176.243.30000113.2F235F235-T239 PolarHBondContact O-OG1 2.78Å
240R45.3Very low48.2Very low254 Ų254154.7 Ų154.796%0.95868%0.68SS**  trans-130.40155.9-93.5-174.1173.7-173.1-1.1108

Retrieved 240 of 240 residues in 262.8 ms (Link to these results)

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