A0A077ZEI6_TRITR Loading...

ScpA ScpB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEI6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 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
1M36Very low51.8Low237 Ų237120.9 Ų120.9100%1.16764%0.638SS**  0108.80-79.6175.9178.600106.3T3M1-T3 PolarHBondContact O-N 2.77Å
2E39.9Very low54.5Low195 Ų195125 Ų12591%0.91165%0.651SS**  trans-63.4118.3176-71.2178.7158.200108.5I4E2-I4 PolarHBondContact O-N 2.76Å
3T40.3Very low57.2Low133 Ų133116 Ų11682%0.81661%0.608SS**  trans-76.6108.1178.147.90000108.3M1 S5M1-T3 PolarHBondContact O-N 2.77Å; T3-S5 PolarHBondContact O-N 3.17Å; T3-S5 VanDerWaalsContact O-N 3.1Å
4I54.6Low59.7Low92 Ų92108.8 Ų108.847%0.47257%0.571SS.*  trans-62109.4173.4-61.8173.7000108.3E2 L6E2-I4 PolarHBondContact O-N 2.76Å; I4-L6 HydrophobicContact CG2-CB 4.04Å; I4-L6 HydrophobicContact CG2-CD1 3.27Å; I4-L6 HydrophobicContact CG2-CG 4.25Å; I4-L6 PolarHBondContact O-N 3.42Å
5S43.4Very low61.9Low120 Ų120104.1 Ų104.184%0.83955%0.546SS*.  trans-8776.4172.564.70000109.8T3T3-S5 PolarHBondContact O-N 3.17Å; T3-S5 VanDerWaalsContact O-N 3.1Å
6L47.6Very low63.8Low54 Ų5498.1 Ų98.128%0.28352%0.515SS..  trans-104124.5174.4-108.9107.4000111.3I4 F11 F44I4-L6 HydrophobicContact CG2-CB 4.04Å; I4-L6 HydrophobicContact CG2-CD1 3.27Å; I4-L6 HydrophobicContact CG2-CG 4.25Å; I4-L6 PolarHBondContact O-N 3.42Å; L6-F11 HydrophobicContact CD2-CE1 4.45Å; L6-F11 HydrophobicContact CD2-CE2 3.24Å; L6-F11 HydrophobicContact CD2-CZ 3.21Å; L6-F44 HydrophobicContact CB-CE2 4.45Å; L6-F44 HydrophobicContact CD2-CE2 4.42Å
7K51.9Low65.5Low173 Ų17392.4 Ų92.475%0.75249%0.485SS*.  trans-75.3125.5168-69.6-177.9178.9-179.80107.9D9 V10K7-D9 VanDerWaalsContact C-N 3.35Å; K7-V10 HydrophobicContact CB-CG2 4.15Å; K7-V10 VanDerWaalsContact O-CG2 3.29Å; K7-V10 WeakPolarHBondContact O-CG2 3.48Å
8L51.4Low67Low36 Ų3687.3 Ų87.319%0.18846%0.458CS..G310 helixtrans-80-16.2-167.7-82146.4000114V10 F44 M48 L51 L53L8-V10 PolarHBondContact O-N 2.82Å; L8-F44 HydrophobicContact CD2-CD1 4.29Å; L8-F44 HydrophobicContact CD2-CE1 3.35Å; L8-F44 HydrophobicContact CD2-CE2 3.77Å; L8-F44 HydrophobicContact CD2-CZ 3.07Å; L8-F44 HydrophobicContact CG-CZ 4.19Å; L8-M48 HydrophobicContact CD1-CG 4Å; L8-M48 HydrophobicContact CD2-CG 3.33Å; L8-M48 HydrophobicContact CD2-SD 3.56Å; L8-M48 VanDerWaalsContact CD2-SD 3.56Å; L8-M48 HydrophobicContact CG-CG 4.27Å; L8-L51 HydrophobicContact CD1-CD1 4.08Å; L8-L53 HydrophobicContact CB-CD1 3.67Å; L8-L53 HydrophobicContact CD1-CD1 3.22Å; L8-L53 HydrophobicContact CG-CD1 3.92Å
9D55.4Low68.3Low164 Ų16482.9 Ų82.988%0.87744%0.435SS*.G310 helixtrans-7514.2176.3-57.1-31.5000114.2K7K7-D9 VanDerWaalsContact C-N 3.35Å
10V67.7Low69.4Low98 Ų9881.5 Ų81.559%0.59443%0.426SS*.G310 helixtrans-107.3-15-169-175.30000113.1K7 L8K7-V10 HydrophobicContact CB-CG2 4.15Å; K7-V10 VanDerWaalsContact O-CG2 3.29Å; K7-V10 WeakPolarHBondContact O-CG2 3.48Å; L8-V10 PolarHBondContact O-N 2.82Å
11F82Confident70.4Confident28 Ų2878.1 Ų78.112%0.12341%0.408CS..  trans-102.8132.4-177.4-62-65.6000113L6 G13 D16 L17 H20 F44L6-F11 HydrophobicContact CD2-CE1 4.45Å; L6-F11 HydrophobicContact CD2-CE2 3.24Å; L6-F11 HydrophobicContact CD2-CZ 3.21Å; F11-G13 PolarHBondContact O-N 2.68Å; F11-D16 HydrophobicContact CD1-CB 4.37Å; F11-L17 HydrophobicContact CD2-CD1 4.16Å; F11-L17 HydrophobicContact CE2-CD1 3.75Å; F11-L17 HydrophobicContact CG-CB 4.46Å; F11-L17 HydrophobicContact CZ-CD1 3.96Å; F11-H20 HydrophobicContact CE1-CB 3.62Å; F11-H20 AromaticContact CE1-CG 3.73Å; F11-H20 HydrophobicContact CZ-CB 4.05Å; F11-H20 AromaticContact CZ-CD2 3.58Å; F11-H20 AromaticContact CZ-CG 3.78Å; F11-F44 HydrophobicContact CD2-CE1 4.48Å; F11-F44 AromaticContact CD2-CZ 3.75Å; F11-F44 HydrophobicContact CD2-CZ 3.75Å; F11-F44 AromaticContact CE2-CE2 3.92Å; F11-F44 HydrophobicContact CE2-CE2 3.92Å; F11-F44 AromaticContact CE2-CZ 3.57Å; F11-F44 HydrophobicContact CE2-CZ 3.57Å
12E84.3Confident72.9Confident170 Ų17067.2 Ų67.279%0.79436%0.355SS*.SBendtrans-83.610.2179.5-66.1-69.6172.800113.3D16E12-D16 PolarHBondContact N-OD2 3.34Å
13G89Confident75.2Confident8 Ų863.8 Ų63.88%0.08234%0.339CS..SBendtrans147.1-178.1177.800000114.8F11 L15 D16 L17 Y59F11-G13 PolarHBondContact O-N 2.68Å; G13-L15 PolarHBondContact O-N 3.5Å; G13-D16 WeakPolarHBondContact O-CB 3.33Å; G13-D16 PolarHBondContact O-N 2.72Å; G13-L17 PolarHBondContact O-N 3.24Å; G13-Y59 WeakPolarHBondContact CA-OH 3.31Å
14P91.9Very high77.5Confident15 Ų1562 Ų6210%0.09732%0.322CS..Hα-helixtrans-68.1-33.5-173.326.4-35.4000114.1D16 L18 Y41 E58 Y59 M62P14-D16 VanDerWaalsContact C-N 3.3Å; P14-L18 WeakPolarHBondContact O-CG 3.16Å; P14-L18 PolarHBondContact O-N 2.92Å; P14-Y41 VanDerWaalsContact CB-OH 3.3Å; P14-Y41 WeakPolarHBondContact CB-OH 3.44Å; P14-E58 HydrophobicContact CG-CB 4.2Å; P14-Y59 HydrophobicContact CB-CD1 4.07Å; P14-Y59 HydrophobicContact CB-CE1 4.3Å; P14-M62 HydrophobicContact CB-CB 3.71Å; P14-M62 HydrophobicContact CB-CE 4.44Å; P14-M62 HydrophobicContact CB-CG 3.93Å; P14-M62 HydrophobicContact CG-CB 4.33Å
15L93.4Very high79Confident38 Ų3860.9 Ų60.920%0.19932%0.316CS..Hα-helixtrans-67.6-33.4176.1-66.2177.1000111.6G13 L18 L19 M62 L96 Q99 L100 Y103G13-L15 PolarHBondContact O-N 3.5Å; L15-L18 PolarHBondContact O-N 3.05Å; L15-L19 PolarHBondContact O-N 3.37Å; L15-M62 HydrophobicContact CD2-CE 3.78Å; L15-M62 HydrophobicContact CG-CE 4.45Å; L15-L96 HydrophobicContact CD2-CD1 4.36Å; L15-Q99 HydrophobicContact CD1-CB 4.43Å; L15-Q99 HydrophobicContact CD2-CB 4.24Å; L15-L100 HydrophobicContact CB-CD2 4.42Å; L15-L100 HydrophobicContact CD2-CD2 3.95Å; L15-L100 HydrophobicContact CD2-CG 4.42Å; L15-Y103 HydrophobicContact CB-CD1 4.01Å; L15-Y103 HydrophobicContact CB-CD2 4.38Å; L15-Y103 HydrophobicContact CB-CG 3.97Å; L15-Y103 HydrophobicContact CD1-CD2 4.46Å; L15-Y103 HydrophobicContact CD1-CG 4.34Å
16D92.7Very high81.2Confident8 Ų863.9 Ų63.94%0.04332%0.317CS..Hα-helixtrans-68.3-45.7177.8-163.723.8000111.7F11 E12 G13 P14 L18 L19 H20 Y103 K107F11-D16 HydrophobicContact CD1-CB 4.37Å; E12-D16 PolarHBondContact N-OD2 3.34Å; G13-D16 WeakPolarHBondContact O-CB 3.33Å; G13-D16 PolarHBondContact O-N 2.72Å; P14-D16 VanDerWaalsContact C-N 3.3Å; D16-L18 VanDerWaalsContact C-N 3.29Å; D16-L18 PolarHBondContact O-N 3.45Å; D16-L19 PolarHBondContact O-N 2.94Å; D16-H20 PolarHBondContact O-N 3.15Å; D16-Y103 HydrophobicContact CB-CE1 3.78Å; D16-Y103 WeakPolarHBondContact CB-OH 3.35Å; D16-K107 IonicContact OD1-NZ 3.86Å; D16-K107 PolarHBondContact OD1-NZ 3.45Å
17L91.3Very high83.1Confident1 Ų162.8 Ų62.81%0.00531%0.311CS..Hα-helixtrans-57.4-43.9172.4176.461.3000111.2F11 G13 H20 L21 Y41 F44 Y59F11-L17 HydrophobicContact CD2-CD1 4.16Å; F11-L17 HydrophobicContact CE2-CD1 3.75Å; F11-L17 HydrophobicContact CG-CB 4.46Å; F11-L17 HydrophobicContact CZ-CD1 3.96Å; G13-L17 PolarHBondContact O-N 3.24Å; L17-H20 WeakPolarHBondContact O-CB 3.35Å; L17-H20 PolarHBondContact O-N 3.2Å; L17-L21 HydrophobicContact CD1-CD1 4.43Å; L17-L21 HydrophobicContact CD1-CG 4.34Å; L17-L21 HydrophobicContact CG-CD1 4.29Å; L17-L21 WeakPolarHBondContact O-CG 3.36Å; L17-L21 PolarHBondContact O-N 3.18Å; L17-Y41 HydrophobicContact CD2-CD2 3.86Å; L17-Y41 HydrophobicContact CD2-CE2 3.61Å; L17-Y41 HydrophobicContact CG-CD2 4.26Å; L17-Y41 HydrophobicContact CG-CE2 4.18Å; L17-F44 HydrophobicContact CD1-CD1 3.98Å; L17-F44 HydrophobicContact CD1-CD2 4.03Å; L17-F44 HydrophobicContact CD1-CE1 3.85Å; L17-F44 HydrophobicContact CD1-CE2 3.9Å; L17-F44 HydrophobicContact CD1-CG 4.03Å; L17-F44 HydrophobicContact CD1-CZ 3.75Å; L17-F44 HydrophobicContact CD2-CB 4.46Å; L17-F44 HydrophobicContact CD2-CD1 3.32Å; L17-F44 HydrophobicContact CD2-CE1 3.54Å; L17-F44 HydrophobicContact CD2-CG 3.97Å; L17-F44 HydrophobicContact CD2-CZ 4.31Å; L17-F44 HydrophobicContact CG-CD1 4.31Å; L17-F44 HydrophobicContact CG-CE1 4.32Å; L17-Y59 HydrophobicContact CB-CE1 4.33Å; L17-Y59 HydrophobicContact CD2-CD1 4.19Å; L17-Y59 HydrophobicContact CD2-CE1 3.98Å
18L92.7Very high84.9Confident1 Ų159 Ų591%0.00530%0.299CS..Hα-helixtrans-63.7-43.9177.6-75.7173.4000112.6P14 L15 D16 H20 L21 I22 V37 Y41 M62 L66 L96 L100P14-L18 WeakPolarHBondContact O-CG 3.16Å; P14-L18 PolarHBondContact O-N 2.92Å; L15-L18 PolarHBondContact O-N 3.05Å; D16-L18 VanDerWaalsContact C-N 3.29Å; D16-L18 PolarHBondContact O-N 3.45Å; L18-H20 VanDerWaalsContact C-N 3.28Å; L18-H20 PolarHBondContact O-N 3.19Å; L18-L21 PolarHBondContact O-N 3.35Å; L18-I22 VanDerWaalsContact O-CG1 3.28Å; L18-I22 WeakPolarHBondContact O-CG1 3.39Å; L18-I22 PolarHBondContact O-N 3.4Å; L18-V37 HydrophobicContact CD2-CG1 3.59Å; L18-Y41 HydrophobicContact CD2-CD2 3.59Å; L18-Y41 HydrophobicContact CD2-CE2 4.11Å; L18-Y41 HydrophobicContact CD2-CG 4.45Å; L18-Y41 HydrophobicContact CG-CD2 3.98Å; L18-Y41 HydrophobicContact CG-CE2 3.99Å; L18-M62 HydrophobicContact CD1-CE 4.28Å; L18-M62 HydrophobicContact CD1-CG 3.9Å; L18-M62 HydrophobicContact CD1-SD 3.77Å; L18-L66 HydrophobicContact CD2-CD1 4.01Å; L18-L66 HydrophobicContact CD2-CD2 4.49Å; L18-L96 HydrophobicContact CD1-CD1 4.1Å; L18-L100 HydrophobicContact CB-CD2 3.74Å; L18-L100 HydrophobicContact CD1-CD2 4.38Å
19L91.7Very high86.6Confident4 Ų457.8 Ų57.82%0.02129%0.292CS..Hα-helixtrans-60.1-40.9174.2-79.4-171.1000111.8L15 D16 I22 Q23 I29 L100 Y103 R104L15-L19 PolarHBondContact O-N 3.37Å; D16-L19 PolarHBondContact O-N 2.94Å; L19-I22 PolarHBondContact O-N 3.23Å; L19-Q23 WeakPolarHBondContact O-CB 3.41Å; L19-Q23 VanDerWaalsContact O-CG 3.29Å; L19-Q23 WeakPolarHBondContact O-CG 3.49Å; L19-Q23 PolarHBondContact O-N 3.16Å; L19-I29 HydrophobicContact CD2-CD1 3.84Å; L19-L100 HydrophobicContact CD2-CB 4.2Å; L19-L100 HydrophobicContact CD2-CD2 4.1Å; L19-L100 HydrophobicContact CG-CD2 4.12Å; L19-Y103 HydrophobicContact CD1-CD1 3.46Å; L19-Y103 VanDerWaalsContact CD1-CD1 3.46Å; L19-Y103 HydrophobicContact CD1-CE1 3.91Å; L19-Y103 HydrophobicContact CG-CD1 4.18Å; L19-R104 HydrophobicContact CD1-CB 3.86Å; L19-R104 HydrophobicContact CD1-CG 4.41Å; L19-R104 HydrophobicContact CD2-CB 4.35Å
20H90.4Very high88.2Confident54 Ų5457.1 Ų57.125%0.2528%0.278CS..Hα-helixtrans-62.4-45176.7-179.469.4000111.9F11 D16 L17 L18 Q23 Q24F11-H20 HydrophobicContact CE1-CB 3.62Å; F11-H20 AromaticContact CE1-CG 3.73Å; F11-H20 HydrophobicContact CZ-CB 4.05Å; F11-H20 AromaticContact CZ-CD2 3.58Å; F11-H20 AromaticContact CZ-CG 3.78Å; D16-H20 PolarHBondContact O-N 3.15Å; L17-H20 WeakPolarHBondContact O-CB 3.35Å; L17-H20 PolarHBondContact O-N 3.2Å; L18-H20 VanDerWaalsContact C-N 3.28Å; L18-H20 PolarHBondContact O-N 3.19Å; H20-Q23 PolarHBondContact O-N 3.48Å; H20-Q24 WeakPolarHBondContact O-CB 3.49Å; H20-Q24 PolarHBondContact O-N 2.95Å
21L90.2Very high89.2Confident11 Ų1157.1 Ų57.16%0.05828%0.275CS..Hα-helixtrans-63.1-42.2176.7-69.6174.5000112.1L17 L18 Q23 Q24 L25 Q40 Y41L17-L21 HydrophobicContact CD1-CD1 4.43Å; L17-L21 HydrophobicContact CD1-CG 4.34Å; L17-L21 HydrophobicContact CG-CD1 4.29Å; L17-L21 WeakPolarHBondContact O-CG 3.36Å; L17-L21 PolarHBondContact O-N 3.18Å; L18-L21 PolarHBondContact O-N 3.35Å; L21-Q23 VanDerWaalsContact C-N 3.33Å; L21-Q23 PolarHBondContact O-N 3.44Å; L21-Q24 PolarHBondContact O-N 2.91Å; L21-L25 WeakPolarHBondContact O-CB 3.4Å; L21-L25 VanDerWaalsContact O-CG 3.25Å; L21-L25 WeakPolarHBondContact O-CG 3.41Å; L21-L25 PolarHBondContact O-N 2.93Å; L21-Q40 HydrophobicContact CD1-CB 4.25Å; L21-Q40 HydrophobicContact CD2-CB 4.11Å; L21-Y41 HydrophobicContact CD1-CD2 4.33Å
22I89.8Confident89.4Confident9 Ų955.9 Ų55.95%0.04627%0.27CS..Hα-helixtrans-61.2-43.4176.5-70.8167.7000110.5L18 L19 E26 I27 I32 L100L18-I22 VanDerWaalsContact O-CG1 3.28Å; L18-I22 WeakPolarHBondContact O-CG1 3.39Å; L18-I22 PolarHBondContact O-N 3.4Å; L19-I22 PolarHBondContact O-N 3.23Å; I22-E26 PolarHBondContact O-N 3.48Å; I22-I27 HydrophobicContact CG2-CB 4.1Å; I22-I27 HydrophobicContact CG2-CG2 4.18Å; I22-I27 VanDerWaalsContact CG2-O 3.32Å; I22-I27 WeakPolarHBondContact CG2-O 3.33Å; I22-I27 PolarHBondContact O-N 3.42Å; I22-I32 HydrophobicContact CD1-CD1 3.9Å; I22-I32 HydrophobicContact CD1-CG1 4.34Å; I22-L100 HydrophobicContact CD1-CD1 3.73Å
23Q88.2Confident89.7Confident122 Ų12250.5 Ų50.557%0.5725%0.25SC*.Hα-helixtrans-65.7-45.5176.7-74.3175.9-9.300112.3L19 H20 L21 L25 E26L19-Q23 WeakPolarHBondContact O-CB 3.41Å; L19-Q23 VanDerWaalsContact O-CG 3.29Å; L19-Q23 WeakPolarHBondContact O-CG 3.49Å; L19-Q23 PolarHBondContact O-N 3.16Å; H20-Q23 PolarHBondContact O-N 3.48Å; L21-Q23 VanDerWaalsContact C-N 3.33Å; L21-Q23 PolarHBondContact O-N 3.44Å; Q23-L25 VanDerWaalsContact C-N 3.3Å; Q23-L25 PolarHBondContact O-N 3.36Å; Q23-E26 PolarHBondContact O-N 2.89Å
24Q87.4Confident89.8Confident97 Ų9750.3 Ų50.345%0.45325%0.247SC..Hα-helixtrans-65.8-32.9-178.3-174.7-178-16.700112.5H20 L21H20-Q24 WeakPolarHBondContact O-CB 3.49Å; H20-Q24 PolarHBondContact O-N 2.95Å; L21-Q24 PolarHBondContact O-N 2.91Å
25L86.7Confident89.7Confident67 Ų6751.8 Ų51.835%0.35126%0.26SS..THydrogen-bonded Turntrans-90.52.1179.7-63.6170000113.3L21 Q23 I27 Q40L21-L25 WeakPolarHBondContact O-CB 3.4Å; L21-L25 VanDerWaalsContact O-CG 3.25Å; L21-L25 WeakPolarHBondContact O-CG 3.41Å; L21-L25 PolarHBondContact O-N 2.93Å; Q23-L25 VanDerWaalsContact C-N 3.3Å; Q23-L25 PolarHBondContact O-N 3.36Å; L25-I27 HydrophobicContact CB-CD1 3.5Å; L25-I27 VanDerWaalsContact CB-CD1 3.5Å; L25-I27 HydrophobicContact CB-CG1 3.73Å; L25-I27 HydrophobicContact CD1-CD1 3.62Å; L25-I27 HydrophobicContact CG-CD1 4.21Å; L25-I27 PolarHBondContact O-N 2.85Å; L25-Q40 HydrophobicContact CD1-CG 4.2Å
26E88.7Confident89.5Confident184 Ų18451.9 Ų51.986%0.8627%0.267SS*.THydrogen-bonded Turntrans52.737.9-176.2-58.4-176.5172.500113.1I22 Q23I22-E26 PolarHBondContact O-N 3.48Å; Q23-E26 PolarHBondContact O-N 2.89Å
27I87.3Confident89.4Confident31 Ų3151.6 Ų51.616%0.15927%0.265CS..  trans-83.9140.9-178.7-73.2167.6000110.1I22 L25 I29 P33 V37I22-I27 HydrophobicContact CG2-CB 4.1Å; I22-I27 HydrophobicContact CG2-CG2 4.18Å; I22-I27 VanDerWaalsContact CG2-O 3.32Å; I22-I27 WeakPolarHBondContact CG2-O 3.33Å; I22-I27 PolarHBondContact O-N 3.42Å; L25-I27 HydrophobicContact CB-CD1 3.5Å; L25-I27 VanDerWaalsContact CB-CD1 3.5Å; L25-I27 HydrophobicContact CB-CG1 3.73Å; L25-I27 HydrophobicContact CD1-CD1 3.62Å; L25-I27 HydrophobicContact CG-CD1 4.21Å; L25-I27 PolarHBondContact O-N 2.85Å; I27-I29 PolarHBondContact O-N 2.97Å; I27-P33 HydrophobicContact CD1-CG 3.61Å; I27-P33 HydrophobicContact CG1-CG 3.98Å; I27-P33 VanDerWaalsContact CG2-CD 3.42Å; I27-P33 HydrophobicContact CG2-CG 4.33Å; I27-V37 HydrophobicContact CD1-CG2 3.68Å
28D90.8Very high89.4Confident93 Ų9351.8 Ų51.850%0.49727%0.266SS..  trans-70126.3167.1-168.9-9000110.2Y30 D31D28-Y30 PolarHBondContact O-N 3.06Å; D28-Y30 WeakPolarHBondContact OD1-CD2 3.36Å; D28-Y30 PolarHBondContact OD1-N 3.24Å; D28-D31 CarbonylContact O-C 3.45Å; D28-D31 VanDerWaalsContact O-C 3.24Å; D28-D31 PolarHBondContact O-N 2.81Å
29I87.5Confident89.4Confident10 Ų1057.2 Ų57.25%0.05129%0.292CS..THydrogen-bonded Turntrans-63.4-23.5178.4-165.8162.3000112.6L19 I27 I32 L100 L101L19-I29 HydrophobicContact CD2-CD1 3.84Å; I27-I29 PolarHBondContact O-N 2.97Å; I29-I32 WeakPolarHBondContact O-CG1 3.33Å; I29-L100 HydrophobicContact CD1-CB 4.01Å; I29-L100 HydrophobicContact CG1-CB 4.43Å; I29-L101 HydrophobicContact CD1-CD2 3.94Å; I29-L101 HydrophobicContact CD1-CG 4.33Å; I29-L101 HydrophobicContact CG1-CD2 4.35Å; I29-L101 HydrophobicContact CG2-CD2 3.99Å
30Y88.9Confident89.4Confident150 Ų15060.1 Ų60.159%0.58831%0.305SS*.THydrogen-bonded Turntrans-84.2-18.1175.9-60.2-74.8000113D28 V97 L101D28-Y30 PolarHBondContact O-N 3.06Å; D28-Y30 WeakPolarHBondContact OD1-CD2 3.36Å; D28-Y30 PolarHBondContact OD1-N 3.24Å; Y30-V97 HydrophobicContact CD1-CG1 4.44Å; Y30-L101 HydrophobicContact CD1-CD1 4.43Å; Y30-L101 HydrophobicContact CE1-CD1 3.74Å; Y30-L101 HydrophobicContact CE1-CD2 4.27Å
31D88.7Confident89.5Confident99 Ų9957.5 Ų57.553%0.52929%0.293SS..SBendtrans-13273.4177.5-171.827.1000111.4D28 P33 R93D28-D31 CarbonylContact O-C 3.45Å; D28-D31 VanDerWaalsContact O-C 3.24Å; D28-D31 PolarHBondContact O-N 2.81Å; D31-P33 VanDerWaalsContact O-CD 3.29Å; D31-P33 WeakPolarHBondContact O-CD 3.33Å; D31-R93 IonicContact OD1-CZ 3.24Å; D31-R93 IonicContact OD1-NH1 3.48Å; D31-R93 PolarHBondContact OD1-NH1 3.41Å; D31-R93 IonicContact OD1-NH2 3.24Å; D31-R93 PolarHBondContact OD1-NH2 3.26Å
32I86.5Confident89.6Confident2 Ų258.5 Ų58.51%0.0130%0.298CS..  trans-78.7118.6-175.6-54.4176000109.8I22 I29 I34 V37 R93 V97 L100I22-I32 HydrophobicContact CD1-CD1 3.9Å; I22-I32 HydrophobicContact CD1-CG1 4.34Å; I29-I32 WeakPolarHBondContact O-CG1 3.33Å; I32-I34 VanDerWaalsContact C-N 3.29Å; I32-I34 HydrophobicContact CB-CD1 4.34Å; I32-I34 HydrophobicContact CG2-CD1 4.02Å; I32-I34 PolarHBondContact O-N 2.87Å; I32-V37 HydrophobicContact CG2-CB 4.22Å; I32-V37 HydrophobicContact CG2-CG2 3.65Å; I32-R93 WeakPolarHBondContact O-CD 3.48Å; I32-R93 PolarHBondContact O-NH1 3.27Å; I32-V97 HydrophobicContact CD1-CG2 3.83Å; I32-V97 HydrophobicContact CG1-CG2 4.4Å; I32-L100 HydrophobicContact CD1-CD1 3.63Å
33P90Very high89.6Confident57 Ų5762 Ų6237%0.3732%0.316SS..  trans-71.785.5170.930.5-33.6000109.7I27 D31 A35 A36 V37I27-P33 HydrophobicContact CD1-CG 3.61Å; I27-P33 HydrophobicContact CG1-CG 3.98Å; I27-P33 VanDerWaalsContact CG2-CD 3.42Å; I27-P33 HydrophobicContact CG2-CG 4.33Å; D31-P33 VanDerWaalsContact O-CD 3.29Å; D31-P33 WeakPolarHBondContact O-CD 3.33Å; P33-A35 PolarHBondContact O-N 3.12Å; P33-A35 VanDerWaalsContact O-N 3.08Å; P33-A36 HydrophobicContact CB-CB 4.37Å; P33-A36 HydrophobicContact CG-CB 4.4Å; P33-A36 PolarHBondContact O-N 3.46Å; P33-V37 PolarHBondContact O-N 3.14Å
34I90.1Very high89.6Confident4 Ų457.5 Ų57.52%0.02130%0.295CS..Hα-helixtrans-52.9-37.9-173-66.3-66.6000112.1I32 A36 T38 I69 K70 M73 R93 L96I32-I34 VanDerWaalsContact C-N 3.29Å; I32-I34 HydrophobicContact CB-CD1 4.34Å; I32-I34 HydrophobicContact CG2-CD1 4.02Å; I32-I34 PolarHBondContact O-N 2.87Å; I34-A36 PolarHBondContact O-N 3.34Å; I34-T38 WeakPolarHBondContact O-CB 3.25Å; I34-T38 PolarHBondContact O-N 3.1Å; I34-T38 PolarHBondContact O-OG1 3.03Å; I34-I69 HydrophobicContact CB-CG2 4.46Å; I34-I69 HydrophobicContact CD1-CG2 4.09Å; I34-I69 HydrophobicContact CG1-CG2 3.88Å; I34-I69 HydrophobicContact CG2-CB 4.25Å; I34-I69 HydrophobicContact CG2-CG2 3.93Å; I34-K70 HydrophobicContact CG2-CB 3.9Å; I34-M73 HydrophobicContact CB-SD 3.87Å; I34-M73 HydrophobicContact CG1-SD 3.61Å; I34-M73 HydrophobicContact CG2-SD 4.48Å; I34-R93 HydrophobicContact CD1-CG 3.82Å; I34-R93 HydrophobicContact CG1-CG 3.54Å; I34-L96 HydrophobicContact CD1-CD2 4.24Å
35A89.8Confident89.6Confident45 Ų4553 Ų5337%0.37227%0.274SS..Hα-helixtrans-59.2-44.9179.500000112.8P33 E39P33-A35 PolarHBondContact O-N 3.12Å; P33-A35 VanDerWaalsContact O-N 3.08Å; A35-E39 PolarHBondContact O-N 3.38Å
36A89.3Confident89.7Confident41 Ų4154.4 Ų54.434%0.33928%0.278SS..Hα-helixtrans-74.7-44.2-179.100000111.6P33 I34 T38 E39 Q40P33-A36 HydrophobicContact CB-CB 4.37Å; P33-A36 HydrophobicContact CG-CB 4.4Å; P33-A36 PolarHBondContact O-N 3.46Å; I34-A36 PolarHBondContact O-N 3.34Å; A36-T38 VanDerWaalsContact C-N 3.35Å; A36-T38 PolarHBondContact O-N 2.98Å; A36-E39 PolarHBondContact O-N 3.22Å; A36-Q40 WeakPolarHBondContact O-CG 3.31Å; A36-Q40 PolarHBondContact O-N 3.42Å
37V90.8Very high89.5Confident2 Ų247.8 Ų47.81%0.01226%0.256CS..Hα-helixtrans-64-41.7177.9176.10000111.1L18 I27 I32 P33 E39 Q40 Y41L18-V37 HydrophobicContact CD2-CG1 3.59Å; I27-V37 HydrophobicContact CD1-CG2 3.68Å; I32-V37 HydrophobicContact CG2-CB 4.22Å; I32-V37 HydrophobicContact CG2-CG2 3.65Å; P33-V37 PolarHBondContact O-N 3.14Å; V37-E39 VanDerWaalsContact C-N 3.33Å; V37-E39 PolarHBondContact O-N 2.91Å; V37-Q40 PolarHBondContact O-N 3.4Å; V37-Y41 VanDerWaalsContact O-CB 3.27Å; V37-Y41 WeakPolarHBondContact O-CB 3.31Å; V37-Y41 PolarHBondContact O-N 3.19Å
38T92.3Very high89.2Confident4 Ų446.9 Ų46.93%0.02525%0.251CS..Hα-helixtrans-61.6-41.8176-55.90000111.4I34 A36 Y41 M42 L66 M67 K70I34-T38 WeakPolarHBondContact O-CB 3.25Å; I34-T38 PolarHBondContact O-N 3.1Å; I34-T38 PolarHBondContact O-OG1 3.03Å; A36-T38 VanDerWaalsContact C-N 3.35Å; A36-T38 PolarHBondContact O-N 2.98Å; T38-Y41 PolarHBondContact O-N 3.4Å; T38-M42 HydrophobicContact CG2-CG 4.33Å; T38-M42 WeakPolarHBondContact O-CB 3.14Å; T38-M42 WeakPolarHBondContact O-CG 3.18Å; T38-M42 PolarHBondContact O-N 3.45Å; T38-L66 HydrophobicContact CG2-CB 3.94Å; T38-M67 HydrophobicContact CG2-CG 4.37Å; T38-K70 HydrophobicContact CG2-CD 4.23Å
39E92.3Very high88.7Confident116 Ų11648 Ų4854%0.54225%0.251SS..Hα-helixtrans-62.4-46.6178.3-176.1172.5-175.300111.5A35 A36 V37 M42 N43A35-E39 PolarHBondContact O-N 3.38Å; A36-E39 PolarHBondContact O-N 3.22Å; V37-E39 VanDerWaalsContact C-N 3.33Å; V37-E39 PolarHBondContact O-N 2.91Å; E39-M42 PolarHBondContact O-N 2.92Å; E39-N43 PolarHBondContact O-N 3.13Å; E39-N43 PolarHBondContact O-ND2 2.87Å
40Q91.3Very high88.4Confident64 Ų6453 Ų5330%0.29928%0.283SS..Hα-helixtrans-65.9-40.7178-64.8-70.532.500112.6L21 L25 A36 V37 M42 N43 F44L21-Q40 HydrophobicContact CD1-CB 4.25Å; L21-Q40 HydrophobicContact CD2-CB 4.11Å; L25-Q40 HydrophobicContact CD1-CG 4.2Å; A36-Q40 WeakPolarHBondContact O-CG 3.31Å; A36-Q40 PolarHBondContact O-N 3.42Å; V37-Q40 PolarHBondContact O-N 3.4Å; Q40-M42 VanDerWaalsContact C-N 3.35Å; Q40-M42 PolarHBondContact O-N 2.75Å; Q40-N43 PolarHBondContact O-N 2.61Å; Q40-N43 PolarHBondContact OE1-ND2 3.41Å; Q40-F44 PolarHBondContact O-N 2.84Å
41Y92.8Very high88Confident0 Ų051.3 Ų51.30%028%0.283CS..Hα-helixtrans-58.8-47.8174-168.5-85.4000110.8P14 L17 L18 L21 V37 T38 N43 F44 I45 Y59 M62 A63 L66P14-Y41 VanDerWaalsContact CB-OH 3.3Å; P14-Y41 WeakPolarHBondContact CB-OH 3.44Å; L17-Y41 HydrophobicContact CD2-CD2 3.86Å; L17-Y41 HydrophobicContact CD2-CE2 3.61Å; L17-Y41 HydrophobicContact CG-CD2 4.26Å; L17-Y41 HydrophobicContact CG-CE2 4.18Å; L18-Y41 HydrophobicContact CD2-CD2 3.59Å; L18-Y41 HydrophobicContact CD2-CE2 4.11Å; L18-Y41 HydrophobicContact CD2-CG 4.45Å; L18-Y41 HydrophobicContact CG-CD2 3.98Å; L18-Y41 HydrophobicContact CG-CE2 3.99Å; L21-Y41 HydrophobicContact CD1-CD2 4.33Å; V37-Y41 VanDerWaalsContact O-CB 3.27Å; V37-Y41 WeakPolarHBondContact O-CB 3.31Å; V37-Y41 PolarHBondContact O-N 3.19Å; T38-Y41 PolarHBondContact O-N 3.4Å; Y41-N43 PolarHBondContact O-N 2.85Å; Y41-F44 WeakPolarHBondContact O-CB 3.49Å; Y41-F44 PolarHBondContact O-N 2.8Å; Y41-I45 HydrophobicContact CD1-CD1 4.27Å; Y41-I45 HydrophobicContact CD1-CG1 3.87Å; Y41-I45 HydrophobicContact CE1-CD1 3.7Å; Y41-I45 HydrophobicContact CE1-CG1 3.67Å; Y41-I45 WeakPolarHBondContact O-CG1 3.14Å; Y41-I45 PolarHBondContact O-N 2.78Å; Y41-Y59 WeakPolarHBondContact OH-CA 3.33Å; Y41-Y59 VanDerWaalsContact OH-CD1 3.28Å; Y41-Y59 WeakPolarHBondContact OH-CD1 3.46Å; Y41-Y59 PolarHBondContact OH-O 3.3Å; Y41-M62 HydrophobicContact CE1-CB 4.48Å; Y41-M62 HydrophobicContact CE1-CG 4.45Å; Y41-M62 HydrophobicContact CE2-CG 4.09Å; Y41-M62 WeakPolarHBondContact OH-CB 3.33Å; Y41-A63 HydrophobicContact CD1-CB 4.26Å; Y41-A63 HydrophobicContact CE1-CB 3.92Å; Y41-L66 HydrophobicContact CD1-CD1 3.79Å; Y41-L66 HydrophobicContact CD2-CD1 3.91Å; Y41-L66 HydrophobicContact CE1-CD1 4.31Å; Y41-L66 HydrophobicContact CE2-CD1 4.39Å; Y41-L66 HydrophobicContact CG-CD1 3.57Å
42M91.9Very high87.3Confident32 Ų3255.3 Ų55.316%0.15830%0.299CS..Hα-helixtrans-63.6-41.8178.1-71.8-55.8-60.800112.6T38 E39 Q40 F44 I45 H46 A63 M67T38-M42 HydrophobicContact CG2-CG 4.33Å; T38-M42 WeakPolarHBondContact O-CB 3.14Å; T38-M42 WeakPolarHBondContact O-CG 3.18Å; T38-M42 PolarHBondContact O-N 3.45Å; E39-M42 PolarHBondContact O-N 2.92Å; Q40-M42 VanDerWaalsContact C-N 3.35Å; Q40-M42 PolarHBondContact O-N 2.75Å; M42-F44 PolarHBondContact O-N 3.24Å; M42-I45 PolarHBondContact O-N 2.88Å; M42-H46 WeakPolarHBondContact CE-NE2 3.47Å; M42-H46 WeakPolarHBondContact O-CB 3.48Å; M42-H46 PolarHBondContact O-CD2 3.37Å; M42-H46 PolarHBondContact O-N 3.3Å; M42-A63 HydrophobicContact SD-CB 3.73Å; M42-M67 HydrophobicContact CE-CE 3.33Å; M42-M67 HydrophobicContact CG-CE 4.01Å; M42-M67 HydrophobicContact SD-CE 3.36Å; M42-M67 WeakPolarHBondContact SD-CE 3.3Å
43N90.7Very high86.7Confident82 Ų8258.6 Ų58.644%0.43932%0.316SS..Hα-helixtrans-56.2-41.8174.7-70.6-22.9000111.2E39 Q40 Y41 H46 A47E39-N43 PolarHBondContact O-N 3.13Å; E39-N43 PolarHBondContact O-ND2 2.87Å; Q40-N43 PolarHBondContact O-N 2.61Å; Q40-N43 PolarHBondContact OE1-ND2 3.41Å; Y41-N43 PolarHBondContact O-N 2.85Å; N43-H46 PolarHBondContact O-N 2.98Å; N43-A47 WeakPolarHBondContact O-CB 3.22Å; N43-A47 PolarHBondContact O-N 3.4Å
44F87.6Confident85.9Confident27 Ų2765.2 Ų65.212%0.11834%0.342CS..Hα-helixtrans-64.6-46.9175.8-170.1-91.8000112.4L6 L8 F11 L17 Q40 Y41 M42 H46 A47 M48L6-F44 HydrophobicContact CB-CE2 4.45Å; L6-F44 HydrophobicContact CD2-CE2 4.42Å; L8-F44 HydrophobicContact CD2-CD1 4.29Å; L8-F44 HydrophobicContact CD2-CE1 3.35Å; L8-F44 HydrophobicContact CD2-CE2 3.77Å; L8-F44 HydrophobicContact CD2-CZ 3.07Å; L8-F44 HydrophobicContact CG-CZ 4.19Å; F11-F44 HydrophobicContact CD2-CE1 4.48Å; F11-F44 AromaticContact CD2-CZ 3.75Å; F11-F44 HydrophobicContact CD2-CZ 3.75Å; F11-F44 AromaticContact CE2-CE2 3.92Å; F11-F44 HydrophobicContact CE2-CE2 3.92Å; F11-F44 AromaticContact CE2-CZ 3.57Å; F11-F44 HydrophobicContact CE2-CZ 3.57Å; L17-F44 HydrophobicContact CD1-CD1 3.98Å; L17-F44 HydrophobicContact CD1-CD2 4.03Å; L17-F44 HydrophobicContact CD1-CE1 3.85Å; L17-F44 HydrophobicContact CD1-CE2 3.9Å; L17-F44 HydrophobicContact CD1-CG 4.03Å; L17-F44 HydrophobicContact CD1-CZ 3.75Å; L17-F44 HydrophobicContact CD2-CB 4.46Å; L17-F44 HydrophobicContact CD2-CD1 3.32Å; L17-F44 HydrophobicContact CD2-CE1 3.54Å; L17-F44 HydrophobicContact CD2-CG 3.97Å; L17-F44 HydrophobicContact CD2-CZ 4.31Å; L17-F44 HydrophobicContact CG-CD1 4.31Å; L17-F44 HydrophobicContact CG-CE1 4.32Å; Q40-F44 PolarHBondContact O-N 2.84Å; Y41-F44 WeakPolarHBondContact O-CB 3.49Å; Y41-F44 PolarHBondContact O-N 2.8Å; M42-F44 PolarHBondContact O-N 3.24Å; F44-H46 VanDerWaalsContact C-N 3.3Å; F44-H46 PolarHBondContact O-N 2.85Å; F44-A47 PolarHBondContact O-N 3.18Å; F44-M48 HydrophobicContact CD1-CE 3.82Å; F44-M48 HydrophobicContact CD1-CG 4.42Å; F44-M48 HydrophobicContact CD1-SD 4.26Å; F44-M48 HydrophobicContact CE1-CE 3.96Å; F44-M48 HydrophobicContact CE1-CG 4.32Å; F44-M48 HydrophobicContact CE1-SD 3.89Å; F44-M48 PolarHBondContact O-N 3.32Å
45I87.9Confident85.1Confident2 Ų266.4 Ų66.41%0.0135%0.349CS..Hα-helixtrans-59.8-40.6175.3-55.8-48.2000111.7Y41 M42 M48 K49 Y59 L60Y41-I45 HydrophobicContact CD1-CD1 4.27Å; Y41-I45 HydrophobicContact CD1-CG1 3.87Å; Y41-I45 HydrophobicContact CE1-CD1 3.7Å; Y41-I45 HydrophobicContact CE1-CG1 3.67Å; Y41-I45 WeakPolarHBondContact O-CG1 3.14Å; Y41-I45 PolarHBondContact O-N 2.78Å; M42-I45 PolarHBondContact O-N 2.88Å; I45-M48 HydrophobicContact CB-CE 4.32Å; I45-M48 HydrophobicContact CD1-CE 3.18Å; I45-M48 HydrophobicContact CG1-CE 4.28Å; I45-M48 HydrophobicContact CG2-CE 4.5Å; I45-M48 PolarHBondContact O-N 2.9Å; I45-K49 PolarHBondContact O-N 3.48Å; I45-K49 VanDerWaalsContact O-N 3.11Å; I45-Y59 HydrophobicContact CD1-CD1 4.03Å; I45-Y59 HydrophobicContact CD1-CG 4.24Å; I45-L60 HydrophobicContact CG2-CD2 4.2Å
46H87.9Confident84.5Confident97 Ų9766.5 Ų66.545%0.44935%0.35SS..Hα-helixtrans-67.4-38.6178.3-72.8-57000112.4M42 N43 F44 K49 T50M42-H46 WeakPolarHBondContact CE-NE2 3.47Å; M42-H46 WeakPolarHBondContact O-CB 3.48Å; M42-H46 PolarHBondContact O-CD2 3.37Å; M42-H46 PolarHBondContact O-N 3.3Å; N43-H46 PolarHBondContact O-N 2.98Å; F44-H46 VanDerWaalsContact C-N 3.3Å; F44-H46 PolarHBondContact O-N 2.85Å; H46-K49 PolarHBondContact O-N 3.3Å; H46-T50 PolarHBondContact O-N 3.29Å; H46-T50 PolarHBondContact O-OG1 3.45Å
47A85.7Confident84.4Confident46 Ų4666.9 Ų66.938%0.3836%0.358SS..Hα-helixtrans-61.5-44173.500000111.4N43 F44 K49 T50 L51N43-A47 WeakPolarHBondContact O-CB 3.22Å; N43-A47 PolarHBondContact O-N 3.4Å; F44-A47 PolarHBondContact O-N 3.18Å; A47-K49 PolarHBondContact O-N 2.9Å; A47-T50 PolarHBondContact O-N 3.44Å; A47-L51 WeakPolarHBondContact O-CG 3.4Å; A47-L51 PolarHBondContact O-N 3.26Å
48M80.3Confident84.3Confident11 Ų1172.8 Ų72.85%0.05439%0.385CS..Hα-helixtrans-57.4-47.6175.2-72.6-166.5-71.600112.7L8 F44 I45 T50 L51 E52 L53 V55L8-M48 HydrophobicContact CD1-CG 4Å; L8-M48 HydrophobicContact CD2-CG 3.33Å; L8-M48 HydrophobicContact CD2-SD 3.56Å; L8-M48 VanDerWaalsContact CD2-SD 3.56Å; L8-M48 HydrophobicContact CG-CG 4.27Å; F44-M48 HydrophobicContact CD1-CE 3.82Å; F44-M48 HydrophobicContact CD1-CG 4.42Å; F44-M48 HydrophobicContact CD1-SD 4.26Å; F44-M48 HydrophobicContact CE1-CE 3.96Å; F44-M48 HydrophobicContact CE1-CG 4.32Å; F44-M48 HydrophobicContact CE1-SD 3.89Å; F44-M48 PolarHBondContact O-N 3.32Å; I45-M48 HydrophobicContact CB-CE 4.32Å; I45-M48 HydrophobicContact CD1-CE 3.18Å; I45-M48 HydrophobicContact CG1-CE 4.28Å; I45-M48 HydrophobicContact CG2-CE 4.5Å; I45-M48 PolarHBondContact O-N 2.9Å; M48-T50 VanDerWaalsContact C-N 3.27Å; M48-T50 PolarHBondContact O-N 3.23Å; M48-L51 CarbonylContact O-C 3.6Å; M48-L51 PolarHBondContact O-N 3.34Å; M48-E52 PolarHBondContact O-N 3.47Å; M48-L53 PolarHBondContact O-N 3Å; M48-L53 VanDerWaalsContact O-N 3.1Å; M48-V55 HydrophobicContact CB-CG2 3.72Å; M48-V55 HydrophobicContact CE-CG1 4.06Å; M48-V55 HydrophobicContact CE-CG2 4.09Å; M48-V55 HydrophobicContact SD-CG2 4.24Å
49K80.4Confident84.3Confident116 Ų11673.7 Ų73.750%0.50439%0.388SS..Hα-helixtrans-62.9-35.6178.4-73-176.6177.3-1770112.4I45 H46 A47 L51 E52 V55I45-K49 PolarHBondContact O-N 3.48Å; I45-K49 VanDerWaalsContact O-N 3.11Å; H46-K49 PolarHBondContact O-N 3.3Å; A47-K49 PolarHBondContact O-N 2.9Å; K49-L51 VanDerWaalsContact C-N 3.3Å; K49-E52 PolarHBondContact O-N 3.48Å; K49-V55 HydrophobicContact CG-CG2 4.22Å
50T82.2Confident84.2Confident117 Ų11771.9 Ų71.972%0.71838%0.382SS*.Hα-helixtrans-70.4-30.3178.9-53.50000111.8H46 A47 M48 E52H46-T50 PolarHBondContact O-N 3.29Å; H46-T50 PolarHBondContact O-OG1 3.45Å; A47-T50 PolarHBondContact O-N 3.44Å; M48-T50 VanDerWaalsContact C-N 3.27Å; M48-T50 PolarHBondContact O-N 3.23Å; T50-E52 VanDerWaalsContact C-N 3.28Å
51L78.9Confident84.3Confident114 Ų11473.4 Ų73.460%0.59740%0.395SS*.THydrogen-bonded Turntrans-88.37.8176.4-64.5172.6000113.2L8 A47 M48 K49 L53L8-L51 HydrophobicContact CD1-CD1 4.08Å; A47-L51 WeakPolarHBondContact O-CG 3.4Å; A47-L51 PolarHBondContact O-N 3.26Å; M48-L51 CarbonylContact O-C 3.6Å; M48-L51 PolarHBondContact O-N 3.34Å; K49-L51 VanDerWaalsContact C-N 3.3Å; L51-L53 HydrophobicContact CB-CD1 4.27Å; L51-L53 HydrophobicContact CB-CG 4.03Å; L51-L53 PolarHBondContact O-N 3.08Å
52E75Confident84.4Confident183 Ų18374.1 Ų74.186%0.85540%0.399SS*.THydrogen-bonded Turntrans54.730.5-178.1-58.8-176.5170.200114.1M48 K49 T50M48-E52 PolarHBondContact O-N 3.47Å; K49-E52 PolarHBondContact O-N 3.48Å; T50-E52 VanDerWaalsContact C-N 3.28Å
53L73.3Confident84.4Confident71 Ų7173 Ų7337%0.37239%0.394SS..  trans-78.7145.9176.2-60.9176.3000111L8 M48 L51 V55L8-L53 HydrophobicContact CB-CD1 3.67Å; L8-L53 HydrophobicContact CD1-CD1 3.22Å; L8-L53 HydrophobicContact CG-CD1 3.92Å; M48-L53 PolarHBondContact O-N 3Å; M48-L53 VanDerWaalsContact O-N 3.1Å; L51-L53 HydrophobicContact CB-CD1 4.27Å; L51-L53 HydrophobicContact CB-CG 4.03Å; L51-L53 PolarHBondContact O-N 3.08Å; L53-V55 PolarHBondContact O-N 3.06Å
54E74Confident84.5Confident195 Ų19571.9 Ų71.991%0.91140%0.397SS*.  trans-69.299.2176.3-168.2170.8-170.500109.8A56E54-A56 PolarHBondContact O-N 2.78Å
55V72.4Confident84.8Confident30 Ų3073.4 Ų73.418%0.18241%0.409CS..  trans-77.5112.1176.5-178.10000108.6M48 K49 L53 L60M48-V55 HydrophobicContact CB-CG2 3.72Å; M48-V55 HydrophobicContact CE-CG1 4.06Å; M48-V55 HydrophobicContact CE-CG2 4.09Å; M48-V55 HydrophobicContact SD-CG2 4.24Å; K49-V55 HydrophobicContact CG-CG2 4.22Å; L53-V55 PolarHBondContact O-N 3.06Å; V55-L60 HydrophobicContact CG1-CD2 4.33Å; V55-L60 HydrophobicContact CG1-CG 4.3Å
56A78.2Confident85.1Confident46 Ų4673.4 Ų73.438%0.3841%0.408SS..  trans-59141174.700000110.9E54 E58 Y59E54-A56 PolarHBondContact O-N 2.78Å; A56-E58 PolarHBondContact O-N 2.88Å; A56-E58 VanDerWaalsContact O-N 3.08Å; A56-Y59 HydrophobicContact CB-CD2 3.89Å; A56-Y59 HydrophobicContact CB-CE2 4.15Å; A56-Y59 PolarHBondContact O-N 3.08Å
57G86.4Confident85.4Confident49 Ų4973.2 Ų73.251%0.50541%0.409SS..Hα-helixtrans-56.9-28.8-175.400000113.9Y59 L60 V61G57-Y59 VanDerWaalsContact C-N 3.29Å; G57-Y59 PolarHBondContact O-N 3.48Å; G57-L60 PolarHBondContact O-N 2.92Å; G57-L60 VanDerWaalsContact O-N 3.12Å; G57-V61 PolarHBondContact O-N 3.23Å; G57-V61 VanDerWaalsContact O-N 3.1Å
58E89.7Confident85.7Confident126 Ų12673.7 Ų73.759%0.58941%0.41SS*.Hα-helixtrans-60.1-34.6177.3-59.7179.7169.900113.1P14 A56 L60 V61 M62P14-E58 HydrophobicContact CG-CB 4.2Å; A56-E58 PolarHBondContact O-N 2.88Å; A56-E58 VanDerWaalsContact O-N 3.08Å; E58-L60 VanDerWaalsContact C-N 3.35Å; E58-V61 PolarHBondContact O-N 3.22Å; E58-M62 PolarHBondContact O-N 3.04Å
59Y91Very high86.2Confident23 Ų2373.8 Ų73.89%0.0941%0.41CS..Hα-helixtrans-66.9-37.1176-72.3-83.5000112G13 P14 L17 Y41 I45 A56 G57 M62 A63G13-Y59 WeakPolarHBondContact CA-OH 3.31Å; P14-Y59 HydrophobicContact CB-CD1 4.07Å; P14-Y59 HydrophobicContact CB-CE1 4.3Å; L17-Y59 HydrophobicContact CB-CE1 4.33Å; L17-Y59 HydrophobicContact CD2-CD1 4.19Å; L17-Y59 HydrophobicContact CD2-CE1 3.98Å; Y41-Y59 WeakPolarHBondContact OH-CA 3.33Å; Y41-Y59 VanDerWaalsContact OH-CD1 3.28Å; Y41-Y59 WeakPolarHBondContact OH-CD1 3.46Å; Y41-Y59 PolarHBondContact OH-O 3.3Å; I45-Y59 HydrophobicContact CD1-CD1 4.03Å; I45-Y59 HydrophobicContact CD1-CG 4.24Å; A56-Y59 HydrophobicContact CB-CD2 3.89Å; A56-Y59 HydrophobicContact CB-CE2 4.15Å; A56-Y59 PolarHBondContact O-N 3.08Å; G57-Y59 VanDerWaalsContact C-N 3.29Å; G57-Y59 PolarHBondContact O-N 3.48Å; Y59-M62 PolarHBondContact O-N 3.31Å; Y59-A63 WeakPolarHBondContact O-CB 3.31Å; Y59-A63 PolarHBondContact O-N 2.93Å
60L90.3Very high86.7Confident79 Ų7971.4 Ų71.441%0.41440%0.4SS..Hα-helixtrans-70.5-38.2177.4-62178.2000111.5I45 V55 G57 E58 A63 A64I45-L60 HydrophobicContact CG2-CD2 4.2Å; V55-L60 HydrophobicContact CG1-CD2 4.33Å; V55-L60 HydrophobicContact CG1-CG 4.3Å; G57-L60 PolarHBondContact O-N 2.92Å; G57-L60 VanDerWaalsContact O-N 3.12Å; E58-L60 VanDerWaalsContact C-N 3.35Å; L60-A63 PolarHBondContact O-N 3.33Å; L60-A64 PolarHBondContact O-N 2.92Å
61V93.5Very high87.1Confident95 Ų9568.6 Ų68.658%0.57639%0.385SS*.Hα-helixtrans-61-47.8173.4174.80000109.9G57 E58 A63 A64 T65G57-V61 PolarHBondContact O-N 3.23Å; G57-V61 VanDerWaalsContact O-N 3.1Å; E58-V61 PolarHBondContact O-N 3.22Å; V61-A63 PolarHBondContact O-N 2.97Å; V61-A64 WeakPolarHBondContact O-CB 3.44Å; V61-A64 PolarHBondContact O-N 3.07Å; V61-T65 PolarHBondContact O-N 3.39Å; V61-T65 PolarHBondContact O-OG1 3.21Å; V61-T65 VanDerWaalsContact O-OG1 3.06Å
62M94.1Very high87.5Confident16 Ų1668.6 Ų68.68%0.07938%0.382CS..Hα-helixtrans-63.4-40.1177.7-176.160.668.200112.4P14 L15 L18 Y41 E58 Y59 A64 T65 L66 L96P14-M62 HydrophobicContact CB-CB 3.71Å; P14-M62 HydrophobicContact CB-CE 4.44Å; P14-M62 HydrophobicContact CB-CG 3.93Å; P14-M62 HydrophobicContact CG-CB 4.33Å; L15-M62 HydrophobicContact CD2-CE 3.78Å; L15-M62 HydrophobicContact CG-CE 4.45Å; L18-M62 HydrophobicContact CD1-CE 4.28Å; L18-M62 HydrophobicContact CD1-CG 3.9Å; L18-M62 HydrophobicContact CD1-SD 3.77Å; Y41-M62 HydrophobicContact CE1-CB 4.48Å; Y41-M62 HydrophobicContact CE1-CG 4.45Å; Y41-M62 HydrophobicContact CE2-CG 4.09Å; Y41-M62 WeakPolarHBondContact OH-CB 3.33Å; E58-M62 PolarHBondContact O-N 3.04Å; Y59-M62 PolarHBondContact O-N 3.31Å; M62-A64 VanDerWaalsContact C-N 3.31Å; M62-A64 PolarHBondContact O-N 3.19Å; M62-T65 WeakPolarHBondContact O-CB 3.36Å; M62-T65 PolarHBondContact O-N 3.18Å; M62-L66 HydrophobicContact CG-CD1 4.2Å; M62-L66 HydrophobicContact CG-CG 4.37Å; M62-L66 WeakPolarHBondContact O-CG 3.44Å; M62-L66 PolarHBondContact O-N 3.11Å; M62-L66 HydrophobicContact SD-CG 4.35Å; M62-L96 HydrophobicContact CE-CD1 4.23Å; M62-L96 HydrophobicContact SD-CD1 4.02Å
63A93.2Very high87.9Confident7 Ų763.8 Ų63.86%0.05836%0.36CS..Hα-helixtrans-56.6-45.1173.200000112Y41 M42 Y59 L60 V61 L66 M67Y41-A63 HydrophobicContact CD1-CB 4.26Å; Y41-A63 HydrophobicContact CE1-CB 3.92Å; M42-A63 HydrophobicContact SD-CB 3.73Å; Y59-A63 WeakPolarHBondContact O-CB 3.31Å; Y59-A63 PolarHBondContact O-N 2.93Å; L60-A63 PolarHBondContact O-N 3.33Å; V61-A63 PolarHBondContact O-N 2.97Å; A63-L66 PolarHBondContact O-N 3.43Å; A63-M67 WeakPolarHBondContact O-CG 3.4Å; A63-M67 PolarHBondContact O-N 3.38Å
64A93.4Very high88.5Confident59 Ų5966.2 Ų66.249%0.48837%0.373SS..Hα-helixtrans-64.2-41.5176.700000111.9L60 V61 M62 M67 S68L60-A64 PolarHBondContact O-N 2.92Å; V61-A64 WeakPolarHBondContact O-CB 3.44Å; V61-A64 PolarHBondContact O-N 3.07Å; M62-A64 VanDerWaalsContact C-N 3.31Å; M62-A64 PolarHBondContact O-N 3.19Å; A64-M67 PolarHBondContact O-N 3.1Å; A64-S68 WeakPolarHBondContact O-CB 3.39Å; A64-S68 PolarHBondContact O-N 3.26Å
65T93.7Very high88.9Confident60 Ų6062.1 Ų62.137%0.36836%0.357SS..Hα-helixtrans-59.1-49.2174.8-57.80000111.3V61 M62 M67 S68 I69V61-T65 PolarHBondContact O-N 3.39Å; V61-T65 PolarHBondContact O-OG1 3.21Å; V61-T65 VanDerWaalsContact O-OG1 3.06Å; M62-T65 WeakPolarHBondContact O-CB 3.36Å; M62-T65 PolarHBondContact O-N 3.18Å; T65-M67 PolarHBondContact O-N 3.02Å; T65-S68 WeakPolarHBondContact O-CB 3.38Å; T65-S68 PolarHBondContact O-N 3.39Å; T65-S68 VanDerWaalsContact O-N 3.16Å; T65-I69 HydrophobicContact CG2-CD1 3.96Å; T65-I69 WeakPolarHBondContact O-CG1 3.28Å; T65-I69 PolarHBondContact O-N 3Å
66L93.9Very high89.1Confident1 Ų166.1 Ų66.11%0.00538%0.384CS..Hα-helixtrans-61.1-42.4177.8-70.3171.6000112.2L18 T38 Y41 M62 A63 S68 I69 K70 L96L18-L66 HydrophobicContact CD2-CD1 4.01Å; L18-L66 HydrophobicContact CD2-CD2 4.49Å; T38-L66 HydrophobicContact CG2-CB 3.94Å; Y41-L66 HydrophobicContact CD1-CD1 3.79Å; Y41-L66 HydrophobicContact CD2-CD1 3.91Å; Y41-L66 HydrophobicContact CE1-CD1 4.31Å; Y41-L66 HydrophobicContact CE2-CD1 4.39Å; Y41-L66 HydrophobicContact CG-CD1 3.57Å; M62-L66 HydrophobicContact CG-CD1 4.2Å; M62-L66 HydrophobicContact CG-CG 4.37Å; M62-L66 WeakPolarHBondContact O-CG 3.44Å; M62-L66 PolarHBondContact O-N 3.11Å; M62-L66 HydrophobicContact SD-CG 4.35Å; A63-L66 PolarHBondContact O-N 3.43Å; L66-S68 VanDerWaalsContact C-N 3.34Å; L66-S68 PolarHBondContact O-N 3.04Å; L66-I69 PolarHBondContact O-N 3.19Å; L66-K70 VanDerWaalsContact O-CB 3.31Å; L66-K70 WeakPolarHBondContact O-CB 3.29Å; L66-K70 PolarHBondContact O-N 3.36Å; L66-L96 HydrophobicContact CD2-CD2 3.72Å
67M92.6Very high88.7Confident93 Ų9371.9 Ų71.946%0.45840%0.4SS..Hα-helixtrans-62.3-40.5174.4-72.7-171.7-164.900112.3T38 M42 A63 A64 T65 K70 S71T38-M67 HydrophobicContact CG2-CG 4.37Å; M42-M67 HydrophobicContact CE-CE 3.33Å; M42-M67 HydrophobicContact CG-CE 4.01Å; M42-M67 HydrophobicContact SD-CE 3.36Å; M42-M67 WeakPolarHBondContact SD-CE 3.3Å; A63-M67 WeakPolarHBondContact O-CG 3.4Å; A63-M67 PolarHBondContact O-N 3.38Å; A64-M67 PolarHBondContact O-N 3.1Å; T65-M67 PolarHBondContact O-N 3.02Å; M67-K70 PolarHBondContact O-N 3.07Å; M67-S71 WeakPolarHBondContact O-CB 3.43Å; M67-S71 PolarHBondContact O-N 3.06Å
68S92.3Very high87.5Confident57 Ų5774.8 Ų74.840%0.39941%0.41SS..Hα-helixtrans-62.3-48.4176.2-176.60000111.2A64 T65 L66 K70 S71 Q72A64-S68 WeakPolarHBondContact O-CB 3.39Å; A64-S68 PolarHBondContact O-N 3.26Å; T65-S68 WeakPolarHBondContact O-CB 3.38Å; T65-S68 PolarHBondContact O-N 3.39Å; T65-S68 VanDerWaalsContact O-N 3.16Å; L66-S68 VanDerWaalsContact C-N 3.34Å; L66-S68 PolarHBondContact O-N 3.04Å; S68-K70 PolarHBondContact O-N 2.95Å; S68-S71 PolarHBondContact O-N 3.25Å; S68-Q72 WeakPolarHBondContact O-CG 3.39Å; S68-Q72 PolarHBondContact O-N 3.43Å; S68-Q72 PolarHBondContact OG-NE2 2.89Å
69I91Very high85.7Confident12 Ų1278.3 Ų78.36%0.06243%0.426CS..Hα-helixtrans-61.3-45.5177.3-62167.8000109.9I34 T65 L66 S71 Q72 M73 P92 R93 L96I34-I69 HydrophobicContact CB-CG2 4.46Å; I34-I69 HydrophobicContact CD1-CG2 4.09Å; I34-I69 HydrophobicContact CG1-CG2 3.88Å; I34-I69 HydrophobicContact CG2-CB 4.25Å; I34-I69 HydrophobicContact CG2-CG2 3.93Å; T65-I69 HydrophobicContact CG2-CD1 3.96Å; T65-I69 WeakPolarHBondContact O-CG1 3.28Å; T65-I69 PolarHBondContact O-N 3Å; L66-I69 PolarHBondContact O-N 3.19Å; I69-S71 VanDerWaalsContact C-N 3.31Å; I69-S71 PolarHBondContact O-N 3.05Å; I69-Q72 PolarHBondContact O-N 3.24Å; I69-M73 HydrophobicContact CG2-CG 4.32Å; I69-M73 HydrophobicContact CG2-SD 4.03Å; I69-M73 WeakPolarHBondContact O-CG 3.27Å; I69-M73 PolarHBondContact O-N 2.86Å; I69-P92 HydrophobicContact CG2-CB 4.31Å; I69-P92 HydrophobicContact CG2-CG 4.46Å; I69-R93 HydrophobicContact CG2-CG 3.91Å; I69-L96 HydrophobicContact CD1-CB 4.36Å; I69-L96 HydrophobicContact CD1-CD2 4.19Å
70K90.9Very high83.7Confident66 Ų6681.6 Ų81.629%0.28745%0.448SS..Hα-helixtrans-57.2-44.3176.2-174.1174.8179.4168.70111.7I34 T38 L66 M67 S68 L74I34-K70 HydrophobicContact CG2-CB 3.9Å; T38-K70 HydrophobicContact CG2-CD 4.23Å; L66-K70 VanDerWaalsContact O-CB 3.31Å; L66-K70 WeakPolarHBondContact O-CB 3.29Å; L66-K70 PolarHBondContact O-N 3.36Å; M67-K70 PolarHBondContact O-N 3.07Å; S68-K70 PolarHBondContact O-N 2.95Å; K70-L74 HydrophobicContact CG-CD1 3.84Å; K70-L74 WeakPolarHBondContact O-CB 3.48Å; K70-L74 VanDerWaalsContact O-CG 3.25Å; K70-L74 WeakPolarHBondContact O-CG 3.36Å; K70-L74 PolarHBondContact O-N 3.48Å; K70-L74 VanDerWaalsContact O-N 3.15Å
71S90.5Very high81.4Confident58 Ų5882.6 Ų82.641%0.40647%0.468SS..Hα-helixtrans-64.3-46.4178-1720000111.6M67 S68 I69 M73 L74 L75M67-S71 WeakPolarHBondContact O-CB 3.43Å; M67-S71 PolarHBondContact O-N 3.06Å; S68-S71 PolarHBondContact O-N 3.25Å; I69-S71 VanDerWaalsContact C-N 3.31Å; I69-S71 PolarHBondContact O-N 3.05Å; S71-M73 VanDerWaalsContact C-N 3.33Å; S71-M73 PolarHBondContact O-N 3.47Å; S71-L74 PolarHBondContact O-N 3.3Å; S71-L75 WeakPolarHBondContact O-CB 3.41Å; S71-L75 WeakPolarHBondContact O-CD1 3.31Å; S71-L75 WeakPolarHBondContact O-CG 3.27Å; S71-L75 PolarHBondContact O-N 2.9Å; S71-L75 WeakPolarHBondContact OG-CD1 3.49Å
72Q87.2Confident79.1Confident114 Ų11485.4 Ų85.453%0.53347%0.473SS..Hα-helixtrans-63.4-37.8179.8-71.81761100112.5S68 I69S68-Q72 WeakPolarHBondContact O-CG 3.39Å; S68-Q72 PolarHBondContact O-N 3.43Å; S68-Q72 PolarHBondContact OG-NE2 2.89Å; I69-Q72 PolarHBondContact O-N 3.24Å
73M85.1Confident76.5Confident82 Ų8294 Ų9440%0.40451%0.513SS..Hα-helixtrans-73.3-29.8178.6-69.5-175.781.500113.8I34 I69 S71 P92 R93I34-M73 HydrophobicContact CB-SD 3.87Å; I34-M73 HydrophobicContact CG1-SD 3.61Å; I34-M73 HydrophobicContact CG2-SD 4.48Å; I69-M73 HydrophobicContact CG2-CG 4.32Å; I69-M73 HydrophobicContact CG2-SD 4.03Å; I69-M73 WeakPolarHBondContact O-CG 3.27Å; I69-M73 PolarHBondContact O-N 2.86Å; S71-M73 VanDerWaalsContact C-N 3.33Å; S71-M73 PolarHBondContact O-N 3.47Å; M73-P92 HydrophobicContact CG-CG 3.72Å; M73-R93 HydrophobicContact CE-CG 4.28Å; M73-R93 HydrophobicContact SD-CG 3.74Å
74L84.4Confident74.1Confident122 Ų122103.4 Ų103.464%0.63955%0.548SS*.Hα-helixtrans-92.5-21.4-176.4-68.3177.9000113.7K70 S71K70-L74 HydrophobicContact CG-CD1 3.84Å; K70-L74 WeakPolarHBondContact O-CB 3.48Å; K70-L74 VanDerWaalsContact O-CG 3.25Å; K70-L74 WeakPolarHBondContact O-CG 3.36Å; K70-L74 PolarHBondContact O-N 3.48Å; K70-L74 VanDerWaalsContact O-N 3.15Å; S71-L74 PolarHBondContact O-N 3.3Å
75L83.4Confident71.4Confident109 Ų109107.9 Ų107.957%0.57156%0.564SS**SBendtrans-81.8140.9-179.1-72172.1000111.3S71 K77S71-L75 WeakPolarHBondContact O-CB 3.41Å; S71-L75 WeakPolarHBondContact O-CD1 3.31Å; S71-L75 WeakPolarHBondContact O-CG 3.27Å; S71-L75 PolarHBondContact O-N 2.9Å; S71-L75 WeakPolarHBondContact OG-CD1 3.49Å; L75-K77 PolarHBondContact O-N 3.46Å
76P76.1Confident68.8Low115 Ų115112.7 Ų112.775%0.74759%0.588SS**PPolyproline II helixtrans-63.7129173.626.2-32000109.7
77K69.3Low66.4Low167 Ų167121.5 Ų121.573%0.72663%0.629SS**PPolyproline II helixtrans-63.2131.7168.5-65.5-177.7-180-178.40107.4L75 E79L75-K77 PolarHBondContact O-N 3.46Å; K77-E79 PolarHBondContact O-N 2.93Å
78P61.2Low64.5Low109 Ų109126.2 Ų126.271%0.70865%0.65SS**PPolyproline II helixtrans-58.4125.317621.9-29.6000108.6V80P78-V80 HydrophobicContact CB-CG2 4.09Å; P78-V80 HydrophobicContact CG-CG2 4.28Å; P78-V80 PolarHBondContact O-N 3.24Å
79E51.6Low62.9Low200 Ų200125.6 Ų125.694%0.93565%0.653SS**  trans-66.779.5170.5-70.8-175.6177.100108.3K77 A81K77-E79 PolarHBondContact O-N 2.93Å; E79-A81 PolarHBondContact O-N 3.44Å
80V50.4Low62Low92 Ų92133.3 Ų133.356%0.55869%0.689SS**  trans-90.296164.1-147.20000105.2P78 F82P78-V80 HydrophobicContact CB-CG2 4.09Å; P78-V80 HydrophobicContact CG-CG2 4.28Å; P78-V80 PolarHBondContact O-N 3.24Å; V80-F82 HydrophobicContact CB-CD2 4.06Å; V80-F82 HydrophobicContact CB-CE2 4.37Å; V80-F82 HydrophobicContact CG1-CD2 3.37Å; V80-F82 HydrophobicContact CG1-CE2 3.24Å; V80-F82 HydrophobicContact CG1-CG 4.5Å; V80-F82 HydrophobicContact CG1-CZ 4.29Å; V80-F82 PolarHBondContact O-N 3.24Å
81A42.7Very low61.6Low101 Ų101132.5 Ų132.584%0.83569%0.687SS**  trans-64.877.7171.500000109.4E79E79-A81 PolarHBondContact O-N 3.44Å
82F44.1Very low61.4Low154 Ų154132 Ų13268%0.67568%0.683SS**  trans-109.2109.1159.6-72.2-62.9000106.4V80 Y84V80-F82 HydrophobicContact CB-CD2 4.06Å; V80-F82 HydrophobicContact CB-CE2 4.37Å; V80-F82 HydrophobicContact CG1-CD2 3.37Å; V80-F82 HydrophobicContact CG1-CE2 3.24Å; V80-F82 HydrophobicContact CG1-CG 4.5Å; V80-F82 HydrophobicContact CG1-CZ 4.29Å; V80-F82 PolarHBondContact O-N 3.24Å; F82-Y84 HydrophobicContact CB-CD2 4.19Å; F82-Y84 PolarHBondContact O-N 3.3Å
83E40.6Very low61.4Low197 Ų197128 Ų12892%0.92166%0.663SS**  trans-62.878.7163.7-72.1176.8154.700108.6
84Y41.5Very low61.7Low203 Ų203127.6 Ų127.680%0.79666%0.662SS**  trans-134.6104.4160.5-73.5-73000106.4F82F82-Y84 HydrophobicContact CB-CD2 4.19Å; F82-Y84 PolarHBondContact O-N 3.3Å
85D37.3Very low62Low154 Ų154125 Ų12582%0.82466%0.659SS**  trans34.3128.5152.9-126.52.3000118.3E87D85-E87 VanDerWaalsContact C-N 3.27Å; D85-E87 PolarHBondContact O-N 2.94Å
86D38Very low62.4Low160 Ų160120.2 Ų120.286%0.85663%0.634SS**  trans-45.268.3175.2-64.4-48.3000115.9E88D86-E88 PolarHBondContact O-N 3.37Å
87E44.1Very low63.2Low186 Ų186115.1 Ų115.187%0.86960%0.6SS**  trans-81.484.8149.8-79.5-174.7-175.200106.5D85 G89D85-E87 VanDerWaalsContact C-N 3.27Å; D85-E87 PolarHBondContact O-N 2.94Å; E87-G89 PolarHBondContact O-N 3.05Å
88E52Low64.3Low192 Ų192113.1 Ų113.190%0.89759%0.594SS**  trans-50.690.1160.5-138.5173.6-157.700106.6D86 E90D86-E88 PolarHBondContact O-N 3.37Å; E88-E90 PolarHBondContact O-N 3.23Å
89G60.5Low65.9Low45 Ų45112.4 Ų112.446%0.46458%0.581SS.*  trans-53.1128.4-168.400000110.2E87 D91E87-G89 PolarHBondContact O-N 3.05Å; G89-D91 PolarHBondContact O-N 3.05Å
90E71.4Confident67.9Low174 Ų174103 Ų10381%0.81354%0.537SS*.  trans-39.3134.7-176.1-66.1-179.9166.400110.9E88 P92E88-E90 PolarHBondContact O-N 3.23Å; E90-P92 WeakPolarHBondContact O-CD 3.47Å; E90-P92 VanDerWaalsContact O-N 3.11Å
91D83.4Confident70Confident49 Ų49100 Ų10026%0.26252%0.517SS..  trans-59.9122.8177.9-176.8-23.8000106.4G89 R93 D94G89-D91 PolarHBondContact O-N 3.05Å; D91-R93 PolarHBondContact O-N 3.39Å; D91-R93 WeakPolarHBondContact OD1-CB 3.44Å; D91-R93 WeakPolarHBondContact OD1-CG 3.36Å; D91-R93 PolarHBondContact OD1-N 3.28Å; D91-R93 IonicContact OD1-NE 3.13Å; D91-R93 PolarHBondContact OD1-NE 2.94Å; D91-R93 VanDerWaalsContact OD1-NE 3.13Å; D91-R93 IonicContact OD2-CZ 2.63Å; D91-R93 VanDerWaalsContact OD2-CZ 3.24Å; D91-R93 IonicContact OD2-NE 2.88Å; D91-R93 PolarHBondContact OD2-NE 2.93Å; D91-R93 IonicContact OD2-NH2 2.75Å; D91-R93 PolarHBondContact OD2-NH2 3.42Å; D91-D94 PolarHBondContact N-OD2 3.37Å; D91-D94 VanDerWaalsContact N-OD2 3.14Å; D91-D94 VanDerWaalsContact O-CB 3.31Å; D91-D94 WeakPolarHBondContact O-CB 3.34Å; D91-D94 PolarHBondContact O-N 3.44Å
92P85Confident72.5Confident48 Ų48100.5 Ų100.531%0.31250%0.502SS..THydrogen-bonded Turntrans-58.9-13.2-179.125.4-36.4000112.7I69 M73 E90I69-P92 HydrophobicContact CG2-CB 4.31Å; I69-P92 HydrophobicContact CG2-CG 4.46Å; M73-P92 HydrophobicContact CG-CG 3.72Å; E90-P92 WeakPolarHBondContact O-CD 3.47Å; E90-P92 VanDerWaalsContact O-N 3.11Å
93R88.5Confident75Confident29 Ų2996 Ų9611%0.10948%0.481CS..THydrogen-bonded Turntrans-80.9-21.7173.3-56.2-178.8-67.1174.83.4113.7D31 I32 I34 I69 M73 D91 A95 L96 V97D31-R93 IonicContact OD1-CZ 3.24Å; D31-R93 IonicContact OD1-NH1 3.48Å; D31-R93 PolarHBondContact OD1-NH1 3.41Å; D31-R93 IonicContact OD1-NH2 3.24Å; D31-R93 PolarHBondContact OD1-NH2 3.26Å; I32-R93 WeakPolarHBondContact O-CD 3.48Å; I32-R93 PolarHBondContact O-NH1 3.27Å; I34-R93 HydrophobicContact CD1-CG 3.82Å; I34-R93 HydrophobicContact CG1-CG 3.54Å; I69-R93 HydrophobicContact CG2-CG 3.91Å; M73-R93 HydrophobicContact CE-CG 4.28Å; M73-R93 HydrophobicContact SD-CG 3.74Å; D91-R93 PolarHBondContact O-N 3.39Å; D91-R93 WeakPolarHBondContact OD1-CB 3.44Å; D91-R93 WeakPolarHBondContact OD1-CG 3.36Å; D91-R93 PolarHBondContact OD1-N 3.28Å; D91-R93 IonicContact OD1-NE 3.13Å; D91-R93 PolarHBondContact OD1-NE 2.94Å; D91-R93 VanDerWaalsContact OD1-NE 3.13Å; D91-R93 IonicContact OD2-CZ 2.63Å; D91-R93 VanDerWaalsContact OD2-CZ 3.24Å; D91-R93 IonicContact OD2-NE 2.88Å; D91-R93 PolarHBondContact OD2-NE 2.93Å; D91-R93 IonicContact OD2-NH2 2.75Å; D91-R93 PolarHBondContact OD2-NH2 3.42Å; R93-A95 VanDerWaalsContact C-N 3.32Å; R93-A95 PolarHBondContact O-N 3Å; R93-L96 WeakPolarHBondContact O-CA 3.28Å; R93-L96 WeakPolarHBondContact O-CB 3.35Å; R93-L96 PolarHBondContact O-N 3.01Å; R93-V97 HydrophobicContact CB-CG2 4.33Å; R93-V97 WeakPolarHBondContact O-CG2 3.36Å; R93-V97 PolarHBondContact O-N 3.28Å
94D90Very high77.5Confident74 Ų7491.9 Ų91.940%0.39646%0.458SS..Hα-helixtrans-55.7-45.6-168.9-78-27.4000112.3D91 L96 V97 Q98D91-D94 PolarHBondContact N-OD2 3.37Å; D91-D94 VanDerWaalsContact N-OD2 3.14Å; D91-D94 VanDerWaalsContact O-CB 3.31Å; D91-D94 WeakPolarHBondContact O-CB 3.34Å; D91-D94 PolarHBondContact O-N 3.44Å; D94-L96 VanDerWaalsContact C-N 3.29Å; D94-L96 PolarHBondContact O-N 3.41Å; D94-V97 PolarHBondContact O-N 3.24Å; D94-Q98 WeakPolarHBondContact O-CG 3.25Å; D94-Q98 PolarHBondContact O-N 3.36Å
95A90.6Very high80Confident68 Ų6889.2 Ų89.256%0.56245%0.45SS*.Hα-helixtrans-59.1-4017700000112.5R93 Q99R93-A95 VanDerWaalsContact C-N 3.32Å; R93-A95 PolarHBondContact O-N 3Å; A95-Q99 VanDerWaalsContact O-CG 3.31Å; A95-Q99 WeakPolarHBondContact O-CG 3.19Å; A95-Q99 PolarHBondContact O-N 3.24Å
96L92.3Very high82.8Confident8 Ų888.5 Ų88.54%0.04244%0.437CS..Hα-helixtrans-71.2-42.1177.5-179.564.1000111.3L15 L18 I34 M62 L66 I69 R93 D94 Q98 Q99 L100L15-L96 HydrophobicContact CD2-CD1 4.36Å; L18-L96 HydrophobicContact CD1-CD1 4.1Å; I34-L96 HydrophobicContact CD1-CD2 4.24Å; M62-L96 HydrophobicContact CE-CD1 4.23Å; M62-L96 HydrophobicContact SD-CD1 4.02Å; L66-L96 HydrophobicContact CD2-CD2 3.72Å; I69-L96 HydrophobicContact CD1-CB 4.36Å; I69-L96 HydrophobicContact CD1-CD2 4.19Å; R93-L96 WeakPolarHBondContact O-CA 3.28Å; R93-L96 WeakPolarHBondContact O-CB 3.35Å; R93-L96 PolarHBondContact O-N 3.01Å; D94-L96 VanDerWaalsContact C-N 3.29Å; D94-L96 PolarHBondContact O-N 3.41Å; L96-Q98 VanDerWaalsContact C-N 3.34Å; L96-Q98 PolarHBondContact O-N 3.14Å; L96-Q99 PolarHBondContact O-N 3.24Å; L96-L100 HydrophobicContact CD1-CD1 4.38Å; L96-L100 HydrophobicContact CD1-CG 4.4Å; L96-L100 HydrophobicContact CG-CD1 4.01Å; L96-L100 HydrophobicContact CG-CG 4.46Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.32Å; L96-L100 PolarHBondContact O-N 3.25Å
97V92.7Very high85.4Confident8 Ų885 Ų855%0.04841%0.414CS..Hα-helixtrans-60.3-45.4177.7173.20000110.4Y30 I32 R93 D94 Q99 L100 L101Y30-V97 HydrophobicContact CD1-CG1 4.44Å; I32-V97 HydrophobicContact CD1-CG2 3.83Å; I32-V97 HydrophobicContact CG1-CG2 4.4Å; R93-V97 HydrophobicContact CB-CG2 4.33Å; R93-V97 WeakPolarHBondContact O-CG2 3.36Å; R93-V97 PolarHBondContact O-N 3.28Å; D94-V97 PolarHBondContact O-N 3.24Å; V97-Q99 PolarHBondContact O-N 3.4Å; V97-L100 PolarHBondContact O-N 2.82Å; V97-L101 HydrophobicContact CG1-CD1 3.89Å; V97-L101 HydrophobicContact CG1-CG 4.33Å; V97-L101 WeakPolarHBondContact O-CB 3.37Å; V97-L101 VanDerWaalsContact O-CG 3.31Å; V97-L101 WeakPolarHBondContact O-CG 3.25Å; V97-L101 PolarHBondContact O-N 3.05Å
98Q93.3Very high87.8Confident125 Ų12584.1 Ų84.158%0.58440%0.404SS*.Hα-helixtrans-60-45.6176.9-69-60.2-2500111.9D94 L96 L100 L101 E102D94-Q98 WeakPolarHBondContact O-CG 3.25Å; D94-Q98 PolarHBondContact O-N 3.36Å; L96-Q98 VanDerWaalsContact C-N 3.34Å; L96-Q98 PolarHBondContact O-N 3.14Å; Q98-L100 VanDerWaalsContact C-N 3.34Å; Q98-L100 PolarHBondContact O-N 3.21Å; Q98-L101 PolarHBondContact O-N 3.35Å; Q98-E102 WeakPolarHBondContact O-CB 3.33Å; Q98-E102 PolarHBondContact O-N 3.01Å
99Q93.6Very high89.9Confident94 Ų9477 Ų7744%0.43938%0.377SS..Hα-helixtrans-60.7-42.1176-72.7175.611.500112.3L15 A95 L96 V97 E102 Y103L15-Q99 HydrophobicContact CD1-CB 4.43Å; L15-Q99 HydrophobicContact CD2-CB 4.24Å; A95-Q99 VanDerWaalsContact O-CG 3.31Å; A95-Q99 WeakPolarHBondContact O-CG 3.19Å; A95-Q99 PolarHBondContact O-N 3.24Å; L96-Q99 PolarHBondContact O-N 3.24Å; V97-Q99 PolarHBondContact O-N 3.4Å; Q99-E102 PolarHBondContact O-N 2.87Å; Q99-Y103 VanDerWaalsContact O-CB 3.27Å; Q99-Y103 WeakPolarHBondContact O-CB 3.34Å; Q99-Y103 PolarHBondContact O-N 3.42Å
100L94.5Very high91.6Very high1 Ų177.5 Ų77.51%0.00538%0.378CS..Hα-helixtrans-67-39.5178.1-71.2169.3000112L15 L18 L19 I22 I29 I32 L96 V97 Q98 R104L15-L100 HydrophobicContact CB-CD2 4.42Å; L15-L100 HydrophobicContact CD2-CD2 3.95Å; L15-L100 HydrophobicContact CD2-CG 4.42Å; L18-L100 HydrophobicContact CB-CD2 3.74Å; L18-L100 HydrophobicContact CD1-CD2 4.38Å; L19-L100 HydrophobicContact CD2-CB 4.2Å; L19-L100 HydrophobicContact CD2-CD2 4.1Å; L19-L100 HydrophobicContact CG-CD2 4.12Å; I22-L100 HydrophobicContact CD1-CD1 3.73Å; I29-L100 HydrophobicContact CD1-CB 4.01Å; I29-L100 HydrophobicContact CG1-CB 4.43Å; I32-L100 HydrophobicContact CD1-CD1 3.63Å; L96-L100 HydrophobicContact CD1-CD1 4.38Å; L96-L100 HydrophobicContact CD1-CG 4.4Å; L96-L100 HydrophobicContact CG-CD1 4.01Å; L96-L100 HydrophobicContact CG-CG 4.46Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.32Å; L96-L100 PolarHBondContact O-N 3.25Å; V97-L100 PolarHBondContact O-N 2.82Å; Q98-L100 VanDerWaalsContact C-N 3.34Å; Q98-L100 PolarHBondContact O-N 3.21Å; L100-R104 VanDerWaalsContact O-CB 3.25Å; L100-R104 WeakPolarHBondContact O-CB 3.38Å; L100-R104 PolarHBondContact O-N 2.97Å
101L94.6Very high92.6Very high29 Ų2971.6 Ų71.615%0.15236%0.356CS..Hα-helixtrans-65.5-43.4176.1-73.3171000111.9I29 Y30 V97 Q98 R104 K105I29-L101 HydrophobicContact CD1-CD2 3.94Å; I29-L101 HydrophobicContact CD1-CG 4.33Å; I29-L101 HydrophobicContact CG1-CD2 4.35Å; I29-L101 HydrophobicContact CG2-CD2 3.99Å; Y30-L101 HydrophobicContact CD1-CD1 4.43Å; Y30-L101 HydrophobicContact CE1-CD1 3.74Å; Y30-L101 HydrophobicContact CE1-CD2 4.27Å; V97-L101 HydrophobicContact CG1-CD1 3.89Å; V97-L101 HydrophobicContact CG1-CG 4.33Å; V97-L101 WeakPolarHBondContact O-CB 3.37Å; V97-L101 VanDerWaalsContact O-CG 3.31Å; V97-L101 WeakPolarHBondContact O-CG 3.25Å; V97-L101 PolarHBondContact O-N 3.05Å; Q98-L101 PolarHBondContact O-N 3.35Å; L101-R104 VanDerWaalsContact CD2-NH2 3.27Å; L101-R104 PolarHBondContact O-N 3.31Å; L101-K105 PolarHBondContact O-N 2.86Å
102E95.4Very high93.3Very high112 Ų11271.3 Ų71.352%0.52336%0.355SS..Hα-helixtrans-64.1-48.2176.6-176165.3-153.100111Q98 Q99 R104 K105 Y106Q98-E102 WeakPolarHBondContact O-CB 3.33Å; Q98-E102 PolarHBondContact O-N 3.01Å; Q99-E102 PolarHBondContact O-N 2.87Å; E102-R104 VanDerWaalsContact C-N 3.33Å; E102-R104 PolarHBondContact O-N 3.48Å; E102-K105 WeakPolarHBondContact O-CB 3.29Å; E102-K105 PolarHBondContact O-N 3.25Å; E102-K105 VanDerWaalsContact O-N 3.14Å; E102-Y106 HydrophobicContact CG-CD2 3.84Å; E102-Y106 HydrophobicContact CG-CE2 3.53Å; E102-Y106 WeakPolarHBondContact O-CD2 3.49Å; E102-Y106 PolarHBondContact O-N 2.63Å
103Y95.1Very high93.8Very high59 Ų5974.5 Ų74.523%0.23137%0.369CS..Hα-helixtrans-60-42.9175.8-176.6-102.1000111.7L15 D16 L19 Q99 K105 Y106 K107L15-Y103 HydrophobicContact CB-CD1 4.01Å; L15-Y103 HydrophobicContact CB-CD2 4.38Å; L15-Y103 HydrophobicContact CB-CG 3.97Å; L15-Y103 HydrophobicContact CD1-CD2 4.46Å; L15-Y103 HydrophobicContact CD1-CG 4.34Å; D16-Y103 HydrophobicContact CB-CE1 3.78Å; D16-Y103 WeakPolarHBondContact CB-OH 3.35Å; L19-Y103 HydrophobicContact CD1-CD1 3.46Å; L19-Y103 VanDerWaalsContact CD1-CD1 3.46Å; L19-Y103 HydrophobicContact CD1-CE1 3.91Å; L19-Y103 HydrophobicContact CG-CD1 4.18Å; Q99-Y103 VanDerWaalsContact O-CB 3.27Å; Q99-Y103 WeakPolarHBondContact O-CB 3.34Å; Q99-Y103 PolarHBondContact O-N 3.42Å; Y103-K105 VanDerWaalsContact C-N 3.31Å; Y103-K105 PolarHBondContact O-N 3.1Å; Y103-Y106 PolarHBondContact O-N 3.05Å; Y103-K107 HydrophobicContact CE1-CD 4.2Å; Y103-K107 WeakPolarHBondContact O-CB 3.46Å; Y103-K107 PolarHBondContact O-N 2.93Å
104R93.6Very high94.1Very high112 Ų11276.4 Ų76.442%0.42339%0.387SS..Hα-helixtrans-58.7-41.2175-174.7177.870.3170.30.1112.2L19 L100 L101 E102 K107 Y108L19-R104 HydrophobicContact CD1-CB 3.86Å; L19-R104 HydrophobicContact CD1-CG 4.41Å; L19-R104 HydrophobicContact CD2-CB 4.35Å; L100-R104 VanDerWaalsContact O-CB 3.25Å; L100-R104 WeakPolarHBondContact O-CB 3.38Å; L100-R104 PolarHBondContact O-N 2.97Å; L101-R104 VanDerWaalsContact CD2-NH2 3.27Å; L101-R104 PolarHBondContact O-N 3.31Å; E102-R104 VanDerWaalsContact C-N 3.33Å; E102-R104 PolarHBondContact O-N 3.48Å; R104-K107 PolarHBondContact O-N 3.45Å; R104-Y108 PolarHBondContact O-N 3.09Å
105K95.1Very high94.4Very high146 Ų14678.4 Ų78.464%0.63539%0.394SS*.Hα-helixtrans-62.2-45.5177179.4-174.1175.6-172.80111.1L101 E102 Y103 Y108 A109L101-K105 PolarHBondContact O-N 2.86Å; E102-K105 WeakPolarHBondContact O-CB 3.29Å; E102-K105 PolarHBondContact O-N 3.25Å; E102-K105 VanDerWaalsContact O-N 3.14Å; Y103-K105 VanDerWaalsContact C-N 3.31Å; Y103-K105 PolarHBondContact O-N 3.1Å; K105-Y108 PolarHBondContact O-N 3.42Å; K105-A109 PolarHBondContact O-N 3.23Å
106Y95.8Very high94.6Very high139 Ų13980.8 Ų80.855%0.54539%0.392SS..Hα-helixtrans-70.2-35.8177.7-73.7-66.4000112.8E102 Y103 Y108 A109 A110E102-Y106 HydrophobicContact CG-CD2 3.84Å; E102-Y106 HydrophobicContact CG-CE2 3.53Å; E102-Y106 WeakPolarHBondContact O-CD2 3.49Å; E102-Y106 PolarHBondContact O-N 2.63Å; Y103-Y106 PolarHBondContact O-N 3.05Å; Y106-Y108 VanDerWaalsContact C-N 3.32Å; Y106-Y108 PolarHBondContact O-N 3.43Å; Y106-A109 PolarHBondContact O-N 3.04Å; Y106-A110 WeakPolarHBondContact O-CB 3.39Å; Y106-A110 PolarHBondContact O-N 3.14Å
107K92.8Very high94.7Very high88 Ų8887.1 Ų87.138%0.38342%0.421SS..Hα-helixtrans-60.4-42.4173.4-170.9171.3-176174.30111.6D16 Y103 R104 A110 S111D16-K107 IonicContact OD1-NZ 3.86Å; D16-K107 PolarHBondContact OD1-NZ 3.45Å; Y103-K107 HydrophobicContact CE1-CD 4.2Å; Y103-K107 WeakPolarHBondContact O-CB 3.46Å; Y103-K107 PolarHBondContact O-N 2.93Å; R104-K107 PolarHBondContact O-N 3.45Å; K107-A110 PolarHBondContact O-N 3.44Å; K107-S111 PolarHBondContact O-N 3.01Å; K107-S111 VanDerWaalsContact O-N 3.09Å
108Y94.3Very high94.8Very high167 Ų16793.2 Ų93.266%0.65545%0.449SS*.Hα-helixtrans-67.2-41.3173-179.9-102.8000112.6R104 K105 Y106 A110 S111 V112R104-Y108 PolarHBondContact O-N 3.09Å; K105-Y108 PolarHBondContact O-N 3.42Å; Y106-Y108 VanDerWaalsContact C-N 3.32Å; Y106-Y108 PolarHBondContact O-N 3.43Å; Y108-A110 VanDerWaalsContact C-N 3.28Å; Y108-A110 PolarHBondContact O-N 3.47Å; Y108-S111 PolarHBondContact O-N 3.48Å; Y108-S111 PolarHBondContact O-OG 3.2Å; Y108-V112 HydrophobicContact CD1-CG2 4.41Å; Y108-V112 HydrophobicContact CE1-CG2 3.94Å; Y108-V112 HydrophobicContact CE2-CG2 4.34Å; Y108-V112 WeakPolarHBondContact O-CG2 3.29Å; Y108-V112 PolarHBondContact O-N 2.75Å; Y108-V112 VanDerWaalsContact O-N 3.1Å
109A96.5Very high94.9Very high41 Ų4193 Ų9334%0.33945%0.448SS..Hα-helixtrans-61.4-3917500000111.8K105 Y106 V112 L113K105-A109 PolarHBondContact O-N 3.23Å; Y106-A109 PolarHBondContact O-N 3.04Å; A109-V112 PolarHBondContact O-N 2.82Å; A109-L113 VanDerWaalsContact O-CG 3.31Å; A109-L113 WeakPolarHBondContact O-CG 3.47Å; A109-L113 PolarHBondContact O-N 2.96Å
110A95.2Very high94.9Very high57 Ų5795.5 Ų95.547%0.47145%0.453SS..Hα-helixtrans-64-40.5175.900000112.1Y106 K107 Y108 L113 S114Y106-A110 WeakPolarHBondContact O-CB 3.39Å; Y106-A110 PolarHBondContact O-N 3.14Å; K107-A110 PolarHBondContact O-N 3.44Å; Y108-A110 VanDerWaalsContact C-N 3.28Å; Y108-A110 PolarHBondContact O-N 3.47Å; A110-L113 PolarHBondContact O-N 2.78Å; A110-S114 WeakPolarHBondContact O-CB 3.29Å; A110-S114 PolarHBondContact O-N 2.96Å
111S93.2Very high94.8Very high50 Ų5098.9 Ų98.935%0.3548%0.477SS..Hα-helixtrans-63.8-42.9175.467.90000111.9K107 Y108 L113 S114 E115K107-S111 PolarHBondContact O-N 3.01Å; K107-S111 VanDerWaalsContact O-N 3.09Å; Y108-S111 PolarHBondContact O-N 3.48Å; Y108-S111 PolarHBondContact O-OG 3.2Å; S111-L113 VanDerWaalsContact C-N 3.31Å; S111-L113 PolarHBondContact O-N 3.47Å; S111-S114 WeakPolarHBondContact O-CB 3.4Å; S111-S114 PolarHBondContact O-N 2.99Å; S111-E115 WeakPolarHBondContact O-CG 3.26Å; S111-E115 PolarHBondContact O-N 3.2Å
112V96.6Very high94.8Very high43 Ų43103.5 Ų103.526%0.26150%0.501SS..Hα-helixtrans-63.5-37.2175.3174.60000111.8Y108 A109 K116Y108-V112 HydrophobicContact CD1-CG2 4.41Å; Y108-V112 HydrophobicContact CE1-CG2 3.94Å; Y108-V112 HydrophobicContact CE2-CG2 4.34Å; Y108-V112 WeakPolarHBondContact O-CG2 3.29Å; Y108-V112 PolarHBondContact O-N 2.75Å; Y108-V112 VanDerWaalsContact O-N 3.1Å; A109-V112 PolarHBondContact O-N 2.82Å; V112-K116 WeakPolarHBondContact O-CG 3.5Å; V112-K116 PolarHBondContact O-N 3.37Å
113L96.7Very high94.7Very high115 Ų115104.8 Ų104.860%0.60251%0.505SS*.Hα-helixtrans-68.9-37.2174.8-73.1173.8000112A109 A110 S111 K116 E117A109-L113 VanDerWaalsContact O-CG 3.31Å; A109-L113 WeakPolarHBondContact O-CG 3.47Å; A109-L113 PolarHBondContact O-N 2.96Å; A110-L113 PolarHBondContact O-N 2.78Å; S111-L113 VanDerWaalsContact C-N 3.31Å; S111-L113 PolarHBondContact O-N 3.47Å; L113-K116 WeakPolarHBondContact O-CB 3.3Å; L113-K116 PolarHBondContact O-N 3.43Å; L113-E117 WeakPolarHBondContact O-CB 3.33Å; L113-E117 PolarHBondContact O-N 2.84Å
114S94.5Very high94.5Very high68 Ų68112.2 Ų112.248%0.47653%0.534SS..Hα-helixtrans-62.9-41.9175.1-1710000111.7A110 S111 K116 E117 E118A110-S114 WeakPolarHBondContact O-CB 3.29Å; A110-S114 PolarHBondContact O-N 2.96Å; S111-S114 WeakPolarHBondContact O-CB 3.4Å; S111-S114 PolarHBondContact O-N 2.99Å; S114-K116 VanDerWaalsContact C-N 3.33Å; S114-K116 PolarHBondContact O-N 2.96Å; S114-E117 WeakPolarHBondContact O-CB 3.38Å; S114-E117 PolarHBondContact O-N 3.48Å; S114-E118 PolarHBondContact O-N 2.86Å
115E95.4Very high94.4Very high117 Ų117112.1 Ų112.155%0.54755%0.546SS..Hα-helixtrans-60.3-43.5173.6-71.1171.5-169.800111.1S111 E117 E118 E119S111-E115 WeakPolarHBondContact O-CG 3.26Å; S111-E115 PolarHBondContact O-N 3.2Å; E115-E117 VanDerWaalsContact C-N 3.35Å; E115-E117 PolarHBondContact O-N 2.9Å; E115-E118 PolarHBondContact O-N 2.89Å; E115-E119 WeakPolarHBondContact O-CG 3.32Å; E115-E119 PolarHBondContact O-N 3.37Å
116K95.9Very high94Very high118 Ų118112.8 Ų112.851%0.51355%0.549SS..Hα-helixtrans-66.4-35176.2-72.2177.5179.8-60.70113.2V112 L113 S114 R120V112-K116 WeakPolarHBondContact O-CG 3.5Å; V112-K116 PolarHBondContact O-N 3.37Å; L113-K116 WeakPolarHBondContact O-CB 3.3Å; L113-K116 PolarHBondContact O-N 3.43Å; S114-K116 VanDerWaalsContact C-N 3.33Å; S114-K116 PolarHBondContact O-N 2.96Å; K116-R120 VanDerWaalsContact O-CB 3.31Å; K116-R120 WeakPolarHBondContact O-CB 3.41Å; K116-R120 PolarHBondContact O-N 3.29Å
117E94.8Very high93.6Very high140 Ų140110 Ų11065%0.65456%0.555SS**Hα-helixtrans-63.9-45.2173.8-178.7180-16900110.4L113 S114 E115 R120 S121L113-E117 WeakPolarHBondContact O-CB 3.33Å; L113-E117 PolarHBondContact O-N 2.84Å; S114-E117 WeakPolarHBondContact O-CB 3.38Å; S114-E117 PolarHBondContact O-N 3.48Å; E115-E117 VanDerWaalsContact C-N 3.35Å; E115-E117 PolarHBondContact O-N 2.9Å; E117-R120 PolarHBondContact O-N 2.83Å; E117-S121 WeakPolarHBondContact O-CB 3.44Å; E117-S121 PolarHBondContact O-N 3.43Å
118E94.3Very high93.3Very high136 Ų136112 Ų11264%0.63658%0.577SS**Hα-helixtrans-60.3-48.8176.1-171.3177-174.600110.9S114 E115 R120 S121 L122S114-E118 PolarHBondContact O-N 2.86Å; E115-E118 PolarHBondContact O-N 2.89Å; E118-R120 VanDerWaalsContact C-N 3.31Å; E118-R120 PolarHBondContact O-N 3.32Å; E118-S121 WeakPolarHBondContact O-CB 3.42Å; E118-S121 PolarHBondContact O-N 3.04Å; E118-S121 VanDerWaalsContact O-N 3.11Å; E118-S121 PolarHBondContact O-OG 3.34Å; E118-L122 PolarHBondContact O-N 3.31Å
119E95.4Very high92.8Very high121 Ų121110.1 Ų110.157%0.56558%0.575SS**Hα-helixtrans-56-44.8173.9-73.4-179.9172.700111.9E115 S121 L122 F123E115-E119 WeakPolarHBondContact O-CG 3.32Å; E115-E119 PolarHBondContact O-N 3.37Å; E119-S121 VanDerWaalsContact C-N 3.3Å; E119-S121 PolarHBondContact O-N 3.32Å; E119-L122 WeakPolarHBondContact O-CB 3.31Å; E119-L122 PolarHBondContact O-N 2.84Å; E119-F123 VanDerWaalsContact O-CD2 3.24Å; E119-F123 WeakPolarHBondContact O-CD2 3.46Å; E119-F123 WeakPolarHBondContact O-CE2 3.44Å
120R93.3Very high92.2Very high146 Ų146114.1 Ų114.155%0.55159%0.591SS**Hα-helixtrans-65.7-34.8179179.656.4-178149.61.6111.9K116 E117 E118 L122 F123K116-R120 VanDerWaalsContact O-CB 3.31Å; K116-R120 WeakPolarHBondContact O-CB 3.41Å; K116-R120 PolarHBondContact O-N 3.29Å; E117-R120 PolarHBondContact O-N 2.83Å; E118-R120 VanDerWaalsContact C-N 3.31Å; E118-R120 PolarHBondContact O-N 3.32Å; R120-L122 PolarHBondContact O-N 2.92Å; R120-F123 PolarHBondContact O-N 3.39Å; R120-F123 VanDerWaalsContact O-N 3.09Å
121S92.7Very high91.5Very high72 Ų72115.9 Ų115.950%0.50359%0.592SS.*Hα-helixtrans-64.7-23.3-179.181.50000113.2E117 E118 E119 F123E117-S121 WeakPolarHBondContact O-CB 3.44Å; E117-S121 PolarHBondContact O-N 3.43Å; E118-S121 WeakPolarHBondContact O-CB 3.42Å; E118-S121 PolarHBondContact O-N 3.04Å; E118-S121 VanDerWaalsContact O-N 3.11Å; E118-S121 PolarHBondContact O-OG 3.34Å; E119-S121 VanDerWaalsContact C-N 3.3Å; E119-S121 PolarHBondContact O-N 3.32Å; S121-F123 PolarHBondContact O-N 2.94Å
122L93.6Very high90.8Very high126 Ų126116.5 Ų116.566%0.6660%0.596SS**THydrogen-bonded Turntrans-69.1-17.9174.7-59.6175.5000113E118 E119 R120E118-L122 PolarHBondContact O-N 3.31Å; E119-L122 WeakPolarHBondContact O-CB 3.31Å; E119-L122 PolarHBondContact O-N 2.84Å; R120-L122 PolarHBondContact O-N 2.92Å
123F94Very high90Very high140 Ų140122.9 Ų122.961%0.61462%0.623SS**  trans-97.9111.9-178.8-63.8-87.5000111.8E119 R120 S121E119-F123 VanDerWaalsContact O-CD2 3.24Å; E119-F123 WeakPolarHBondContact O-CD2 3.46Å; E119-F123 WeakPolarHBondContact O-CE2 3.44Å; R120-F123 PolarHBondContact O-N 3.39Å; R120-F123 VanDerWaalsContact O-N 3.09Å; S121-F123 PolarHBondContact O-N 2.94Å
124Y92Very high89.1Confident215 Ų215125.9 Ų125.984%0.84363%0.628SS**  trans-86.2135.1174.3-64.1-96.1000110.5
125T90.1Very high88Confident109 Ų109128.2 Ų128.267%0.66963%0.632SS**  trans-119.8149176.258.50000109.8
126K87.6Confident86.8Confident161 Ų161132.4 Ų132.470%0.765%0.651SS**PPolyproline II helixtrans-84.8151171.970.3173-161.4177.80110.1
127A87.3Confident85.6Confident80 Ų80134 Ų13466%0.66166%0.66SS**PPolyproline II helixtrans-58.6148.5166.800000110.1M129A127-M129 PolarHBondContact O-N 3.27Å
128P86.4Confident84.2Confident130 Ų130134.2 Ų134.284%0.84467%0.665SS**PPolyproline II helixtrans-50.2136.3169.2-24.633.9000110.4
129M83Confident82.8Confident127 Ų127134 Ų13463%0.62667%0.667SS**PPolyproline II helixtrans-73.3137.6174.9-177175.3-78.100108.7A127 L131A127-M129 PolarHBondContact O-N 3.27Å; M129-L131 HydrophobicContact CG-CD2 4.16Å; M129-L131 PolarHBondContact O-N 2.86Å; M129-L131 HydrophobicContact SD-CD2 4.09Å
130D83.8Confident81.4Confident125 Ų125133.7 Ų133.767%0.66868%0.676SS**PPolyproline II helixtrans-71116.8169.1-169.5-12.5000108.6S132D130-S132 VanDerWaalsContact CG-OG 3.32Å; D130-S132 WeakPolarHBondContact OD1-CB 3.33Å; D130-S132 PolarHBondContact OD1-N 3.27Å; D130-S132 PolarHBondContact OD1-OG 3.1Å; D130-S132 PolarHBondContact OD2-OG 2.83Å
131L82.1Confident80.1Confident95 Ų95132.2 Ų132.250%0.49768%0.678SS.*  trans-107.212.8-179.5-63.7176.4000112M129 E133 Y134M129-L131 HydrophobicContact CG-CD2 4.16Å; M129-L131 PolarHBondContact O-N 2.86Å; M129-L131 HydrophobicContact SD-CD2 4.09Å; L131-E133 PolarHBondContact O-N 2.92Å; L131-E133 VanDerWaalsContact O-N 3.1Å; L131-Y134 HydrophobicContact CB-CD2 4.22Å; L131-Y134 HydrophobicContact CD2-CD2 3.82Å; L131-Y134 HydrophobicContact CD2-CE2 3.93Å; L131-Y134 PolarHBondContact O-N 2.98Å
132S78Confident79Confident62 Ų62133 Ų13343%0.43468%0.681SS.*G310 helixtrans-55.2-28.9-178.851.30000113.5D130 Y134 E135D130-S132 VanDerWaalsContact CG-OG 3.32Å; D130-S132 WeakPolarHBondContact OD1-CB 3.33Å; D130-S132 PolarHBondContact OD1-N 3.27Å; D130-S132 PolarHBondContact OD1-OG 3.1Å; D130-S132 PolarHBondContact OD2-OG 2.83Å; S132-Y134 PolarHBondContact O-N 3.39Å; S132-E135 PolarHBondContact O-N 3.1Å
133E78.4Confident77.7Confident177 Ų177136.9 Ų136.983%0.82769%0.693SS**G310 helixtrans-65.2-20.5174.8-63.8-173.8171.200114.3L131L131-E133 PolarHBondContact O-N 2.92Å; L131-E133 VanDerWaalsContact O-N 3.1Å
134Y78.7Confident76.4Confident178 Ų178138 Ų13870%0.69871%0.705SS**G310 helixtrans-98.7-2.1178.9-57-76.4000113.1L131 S132 E136L131-Y134 HydrophobicContact CB-CD2 4.22Å; L131-Y134 HydrophobicContact CD2-CD2 3.82Å; L131-Y134 HydrophobicContact CD2-CE2 3.93Å; L131-Y134 PolarHBondContact O-N 2.98Å; S132-Y134 PolarHBondContact O-N 3.39Å; Y134-E136 PolarHBondContact O-N 2.84Å
135E70.9Confident75.3Confident118 Ų118132.9 Ų132.955%0.55169%0.689SS**  trans-79.6102175.3-69.1-174.7169.800109.6S132 E137S132-E135 PolarHBondContact O-N 3.1Å; E135-E137 PolarHBondContact O-N 3.4Å
136E70Confident74.1Confident205 Ų205133.3 Ų133.396%0.95869%0.686SS**SBendtrans-67.2-24.8176.1-66.2-176.1176.200112.4Y134Y134-E136 PolarHBondContact O-N 2.84Å
137E71.1Confident73.3Confident151 Ų151130 Ų13071%0.70668%0.677SS**SBendtrans-147.2118.1180-165.5170.9-164.700110.6E135 L139E135-E137 PolarHBondContact O-N 3.4Å; E137-L139 HydrophobicContact CG-CD2 4.44Å; E137-L139 PolarHBondContact O-N 3.31Å
138I65.3Low72.8Confident145 Ų145131.6 Ų131.674%0.74468%0.678SS**  trans-73.894172.4-56.9171.6000107.5
139L65.9Low72.4Confident131 Ų131130.1 Ų130.169%0.68666%0.662SS**PPolyproline II helixtrans-68.6126.2175.1-67.6171.4000109.2E137 L141E137-L139 HydrophobicContact CG-CD2 4.44Å; E137-L139 PolarHBondContact O-N 3.31Å; L139-L141 PolarHBondContact O-N 2.98Å
140P65.2Low72.1Confident115 Ų115127 Ų12775%0.74765%0.648SS**PPolyproline II helixtrans-59.9134.1174.224.9-32.3000109.1
141L66.1Low71.7Confident115 Ų115127.4 Ų127.460%0.60265%0.649SS**PPolyproline II helixtrans-52.1130.5174.5-70.1164.6000109.1L139 K143 L146L139-L141 PolarHBondContact O-N 2.98Å; L141-K143 PolarHBondContact O-N 3.28Å; L141-L146 HydrophobicContact CD1-CD1 3.7Å
142P69.7Low71.5Confident87 Ų87129.2 Ų129.257%0.56565%0.653SS**PPolyproline II helixtrans-51.2138.6174.212.4-26.2000111.2N144 Q145P142-N144 PolarHBondContact O-N 3.04Å; P142-Q145 HydrophobicContact CG-CB 4.22Å; P142-Q145 HydrophobicContact CG-CG 4.48Å; P142-Q145 WeakPolarHBondContact O-CB 3.19Å; P142-Q145 PolarHBondContact O-N 3.14Å; P142-Q145 VanDerWaalsContact O-N 3.07Å
143K66.4Low71.7Confident208 Ų208130.8 Ų130.890%0.90466%0.657SS**THydrogen-bonded Turntrans-54.6135.4178.2-65.7-176.9178.4-179.70109.3L141L141-K143 PolarHBondContact O-N 3.28Å
144N66.3Low71.7Confident163 Ų163125 Ų12587%0.87264%0.639SS**THydrogen-bonded Turntrans70.315.3-174.6-65.2-3.9000117.1P142 L146P142-N144 PolarHBondContact O-N 3.04Å; N144-L146 VanDerWaalsContact C-N 3.3Å
145Q68.4Low71.7Confident109 Ų109121.3 Ų121.351%0.50963%0.631SS.*SBendtrans-74.3-23.6171.2-161.3177.815.400113P142P142-Q145 HydrophobicContact CG-CB 4.22Å; P142-Q145 HydrophobicContact CG-CG 4.48Å; P142-Q145 WeakPolarHBondContact O-CB 3.19Å; P142-Q145 PolarHBondContact O-N 3.14Å; P142-Q145 VanDerWaalsContact O-N 3.07Å
146L64.8Low72.3Confident117 Ų117119.8 Ų119.861%0.61362%0.623SS**  trans-121.4130.3175.7-66.4172.3000110L141 N144 D150L141-L146 HydrophobicContact CD1-CD1 3.7Å; N144-L146 VanDerWaalsContact C-N 3.3Å; L146-D150 WeakPolarHBondContact CA-OD2 2.96Å; L146-D150 HydrophobicContact CD2-CB 3.88Å
147N72.3Confident72.8Confident93 Ų93113 Ų11350%0.49759%0.593SS.*  trans-105.7166.6170.3-1673.3000109.8I149 D150 L151N147-I149 PolarHBondContact O-N 3.2Å; N147-I149 VanDerWaalsContact O-N 3.14Å; N147-D150 PolarHBondContact N-OD2 2.74Å; N147-D150 PolarHBondContact O-N 3.26Å; N147-L151 PolarHBondContact O-N 2.68Å
148T75.8Confident73.2Confident112 Ų112110 Ų11069%0.68759%0.586SS**Hα-helixtrans-56.9-27172.552.40000112.6F152T148-F152 WeakPolarHBondContact O-CB 3.28Å; T148-F152 PolarHBondContact O-N 3.28Å
149I78.6Confident73.9Confident100 Ų100107.9 Ų107.951%0.51358%0.575SS.*Hα-helixtrans-63.4-41.8174.1-60.1177000110.9N147 L151 F152 L153N147-I149 PolarHBondContact O-N 3.2Å; N147-I149 VanDerWaalsContact O-N 3.14Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 2.89Å; I149-F152 WeakPolarHBondContact O-CB 3.48Å; I149-F152 PolarHBondContact O-N 3.49Å; I149-L153 HydrophobicContact CG2-CD1 4.04Å; I149-L153 HydrophobicContact CG2-CG 4.29Å; I149-L153 WeakPolarHBondContact O-CG 3.5Å; I149-L153 PolarHBondContact O-N 3.09Å
150D77.1Confident74.5Confident62 Ų62106.3 Ų106.333%0.33256%0.564SS.*Hα-helixtrans-67.5-39-178.4-56.3-49.9000111.2L146 N147 F152 L153 A154L146-D150 WeakPolarHBondContact CA-OD2 2.96Å; L146-D150 HydrophobicContact CD2-CB 3.88Å; N147-D150 PolarHBondContact N-OD2 2.74Å; N147-D150 PolarHBondContact O-N 3.26Å; D150-F152 VanDerWaalsContact C-N 3.35Å; D150-L153 PolarHBondContact O-N 2.97Å; D150-A154 WeakPolarHBondContact O-CB 3.24Å; D150-A154 PolarHBondContact O-N 2.96Å
151L73.9Confident75Confident132 Ų132107.1 Ų107.169%0.69155%0.552SS**Hα-helixtrans-63.7-41.1173.4-171.666.9000111.6N147 I149 A154 L155N147-L151 PolarHBondContact O-N 2.68Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 2.89Å; L151-A154 PolarHBondContact O-N 3.2Å; L151-L155 WeakPolarHBondContact O-CB 3.31Å; L151-L155 PolarHBondContact O-N 3.07Å
152F79.8Confident75.5Confident133 Ų133108.1 Ų108.158%0.58355%0.552SS**Hα-helixtrans-63.8-44175.6176.2-95.8000111.8T148 I149 D150 L155 H156T148-F152 WeakPolarHBondContact O-CB 3.28Å; T148-F152 PolarHBondContact O-N 3.28Å; I149-F152 WeakPolarHBondContact O-CB 3.48Å; I149-F152 PolarHBondContact O-N 3.49Å; D150-F152 VanDerWaalsContact C-N 3.35Å; F152-L155 PolarHBondContact O-N 3.36Å; F152-H156 VanDerWaalsContact O-CB 3.3Å; F152-H156 WeakPolarHBondContact O-CB 3.38Å; F152-H156 PolarHBondContact O-N 3.11Å
153L81.6Confident75.7Confident96 Ų96111.6 Ų111.650%0.50356%0.558SS.*Hα-helixtrans-64.4-41.8176.9-70.2174.5000111.9I149 D150 H156 D157I149-L153 HydrophobicContact CG2-CD1 4.04Å; I149-L153 HydrophobicContact CG2-CG 4.29Å; I149-L153 WeakPolarHBondContact O-CG 3.5Å; I149-L153 PolarHBondContact O-N 3.09Å; D150-L153 PolarHBondContact O-N 2.97Å; L153-H156 PolarHBondContact O-N 2.9Å; L153-D157 WeakPolarHBondContact O-CB 3.26Å; L153-D157 PolarHBondContact O-N 2.81Å
154A78Confident75.8Confident55 Ų55110.3 Ų110.346%0.45555%0.548SS..Hα-helixtrans-62.8-43.8175.400000111.8D150 L151 D157 V158D150-A154 WeakPolarHBondContact O-CB 3.24Å; D150-A154 PolarHBondContact O-N 2.96Å; L151-A154 PolarHBondContact O-N 3.2Å; A154-D157 PolarHBondContact O-N 3.46Å; A154-V158 WeakPolarHBondContact O-CG2 3.08Å; A154-V158 PolarHBondContact O-N 3.21Å
155L79.4Confident75.7Confident101 Ų101108.1 Ų108.153%0.52954%0.536SS..Hα-helixtrans-63.1-43.3174.8-178.964.8000111.4L151 F152 V158 L159L151-L155 WeakPolarHBondContact O-CB 3.31Å; L151-L155 PolarHBondContact O-N 3.07Å; F152-L155 PolarHBondContact O-N 3.36Å; L155-V158 PolarHBondContact O-N 3.4Å; L155-L159 HydrophobicContact CD1-CD1 4.49Å; L155-L159 HydrophobicContact CD1-CG 4.47Å; L155-L159 HydrophobicContact CG-CD1 4.16Å; L155-L159 VanDerWaalsContact O-CG 3.32Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 3.05Å
156H81.8Confident75.1Confident85 Ų85108.6 Ų108.639%0.39454%0.538SS..Hα-helixtrans-62-42.9177.9-178.1-97.1000111.8F152 L153 L159 Q160F152-H156 VanDerWaalsContact O-CB 3.3Å; F152-H156 WeakPolarHBondContact O-CB 3.38Å; F152-H156 PolarHBondContact O-N 3.11Å; L153-H156 PolarHBondContact O-N 2.9Å; H156-L159 PolarHBondContact O-N 2.67Å; H156-Q160 PolarHBondContact CE1-NE2 2.92Å; H156-Q160 WeakPolarHBondContact O-CB 3.36Å; H156-Q160 WeakPolarHBondContact O-CG 3.43Å; H156-Q160 PolarHBondContact O-N 3.17Å
157D80.7Confident74.3Confident62 Ų62108.4 Ų108.433%0.33254%0.542SS..Hα-helixtrans-63-43.2175.4-175.222.8000111.6L153 A154 L159 Q160 R161L153-D157 WeakPolarHBondContact O-CB 3.26Å; L153-D157 PolarHBondContact O-N 2.81Å; A154-D157 PolarHBondContact O-N 3.46Å; D157-L159 PolarHBondContact O-N 3.43Å; D157-Q160 PolarHBondContact O-N 3.5Å; D157-R161 VanDerWaalsContact CG-NE 3.31Å; D157-R161 WeakPolarHBondContact O-CB 3.43Å; D157-R161 VanDerWaalsContact O-CG 3.23Å; D157-R161 WeakPolarHBondContact O-CG 3.49Å; D157-R161 PolarHBondContact O-N 2.84Å; D157-R161 IonicContact OD1-CZ 3.69Å; D157-R161 IonicContact OD1-NE 3.25Å; D157-R161 PolarHBondContact OD1-NE 2.96Å; D157-R161 IonicContact OD1-NH2 2.92Å; D157-R161 IonicContact OD2-CZ 2.67Å; D157-R161 IonicContact OD2-NE 3.73Å; D157-R161 PolarHBondContact OD2-NE 2.87Å; D157-R161 VanDerWaalsContact OD2-NE 3.17Å; D157-R161 IonicContact OD2-NH2 3.17Å; D157-R161 PolarHBondContact OD2-NH2 2.86Å
158V79.4Confident73.2Confident90 Ų90111.1 Ų111.155%0.54556%0.555SS.*Hα-helixtrans-59.8-44.7174.1171.50000111.5A154 L155 K162A154-V158 WeakPolarHBondContact O-CG2 3.08Å; A154-V158 PolarHBondContact O-N 3.21Å; L155-V158 PolarHBondContact O-N 3.4Å; V158-K162 WeakPolarHBondContact O-CB 3.49Å; V158-K162 PolarHBondContact O-N 3.48Å
159L80.2Confident71.7Confident99 Ų99113.7 Ų113.752%0.51856%0.559SS.*Hα-helixtrans-66.8-39.9178-70.1175000112.2L155 H156 D157 K162 K163L155-L159 HydrophobicContact CD1-CD1 4.49Å; L155-L159 HydrophobicContact CD1-CG 4.47Å; L155-L159 HydrophobicContact CG-CD1 4.16Å; L155-L159 VanDerWaalsContact O-CG 3.32Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 3.05Å; H156-L159 PolarHBondContact O-N 2.67Å; D157-L159 PolarHBondContact O-N 3.43Å; L159-K162 PolarHBondContact O-N 3.47Å; L159-K163 WeakPolarHBondContact O-CB 3.32Å; L159-K163 PolarHBondContact O-N 2.79Å
160Q78.5Confident69.8Low99 Ų99113.4 Ų113.446%0.46356%0.562SS.*Hα-helixtrans-66.2-43176-78.4-163.7-24.300112.2H156 D157 K162 K163 R164H156-Q160 PolarHBondContact CE1-NE2 2.92Å; H156-Q160 WeakPolarHBondContact O-CB 3.36Å; H156-Q160 WeakPolarHBondContact O-CG 3.43Å; H156-Q160 PolarHBondContact O-N 3.17Å; D157-Q160 PolarHBondContact O-N 3.5Å; Q160-K162 VanDerWaalsContact C-N 3.31Å; Q160-K162 PolarHBondContact O-N 3.26Å; Q160-K163 PolarHBondContact O-N 2.9Å; Q160-R164 WeakPolarHBondContact O-CB 3.34Å; Q160-R164 PolarHBondContact O-N 3.47Å
161R76.5Confident68Low131 Ų131115.8 Ų115.849%0.49458%0.579SS.*Hα-helixtrans-60.3-42.5173.3-70.2171.9-168.8-157.94.8111D157 R164 N165D157-R161 VanDerWaalsContact CG-NE 3.31Å; D157-R161 WeakPolarHBondContact O-CB 3.43Å; D157-R161 VanDerWaalsContact O-CG 3.23Å; D157-R161 WeakPolarHBondContact O-CG 3.49Å; D157-R161 PolarHBondContact O-N 2.84Å; D157-R161 IonicContact OD1-CZ 3.69Å; D157-R161 IonicContact OD1-NE 3.25Å; D157-R161 PolarHBondContact OD1-NE 2.96Å; D157-R161 IonicContact OD1-NH2 2.92Å; D157-R161 IonicContact OD2-CZ 2.67Å; D157-R161 IonicContact OD2-NE 3.73Å; D157-R161 PolarHBondContact OD2-NE 2.87Å; D157-R161 VanDerWaalsContact OD2-NE 3.17Å; D157-R161 IonicContact OD2-NH2 3.17Å; D157-R161 PolarHBondContact OD2-NH2 2.86Å; R161-R164 PolarHBondContact O-N 3.24Å; R161-N165 WeakPolarHBondContact O-CB 3.42Å; R161-N165 VanDerWaalsContact O-CG 3.27Å; R161-N165 PolarHBondContact O-N 2.66Å
162K75.9Confident66.4Low136 Ų136115.2 Ų115.259%0.59158%0.581SS**Hα-helixtrans-64.4-40.1175-169.2177.7-179.5-179.50111.8V158 L159 Q160 N165 Q166V158-K162 WeakPolarHBondContact O-CB 3.49Å; V158-K162 PolarHBondContact O-N 3.48Å; L159-K162 PolarHBondContact O-N 3.47Å; Q160-K162 VanDerWaalsContact C-N 3.31Å; Q160-K162 PolarHBondContact O-N 3.26Å; K162-N165 CarbonylContact O-C 3.58Å; K162-N165 PolarHBondContact O-N 3.12Å; K162-Q166 VanDerWaalsContact O-CG 3.28Å; K162-Q166 WeakPolarHBondContact O-CG 3.28Å; K162-Q166 PolarHBondContact O-N 3.18Å
163K74.8Confident64.7Low160 Ų160113.7 Ų113.770%0.69658%0.583SS**Hα-helixtrans-67.8-39.1177.2-170.4-179.1178.9-175.50112.5L159 Q160 Q166L159-K163 WeakPolarHBondContact O-CB 3.32Å; L159-K163 PolarHBondContact O-N 2.79Å; Q160-K163 PolarHBondContact O-N 2.9Å; K163-Q166 WeakPolarHBondContact O-CB 3.23Å; K163-Q166 PolarHBondContact O-N 3Å
164R69.2Low63Low181 Ų181112.6 Ų112.668%0.68359%0.587SS**Hα-helixtrans-71.5-35.8175.8-174175.463.1-129.6-1.4112.3Q160 R161 Q166Q160-R164 WeakPolarHBondContact O-CB 3.34Å; Q160-R164 PolarHBondContact O-N 3.47Å; R161-R164 PolarHBondContact O-N 3.24Å; R164-Q166 VanDerWaalsContact C-N 3.34Å
165N63.3Low61.9Low117 Ų117116.7 Ų116.763%0.62660%0.597SS**SBendtrans-90.73.7176.8-65.2-3.1000113R161 K162 T167R161-N165 WeakPolarHBondContact O-CB 3.42Å; R161-N165 VanDerWaalsContact O-CG 3.27Å; R161-N165 PolarHBondContact O-N 2.66Å; K162-N165 CarbonylContact O-C 3.58Å; K162-N165 PolarHBondContact O-N 3.12Å; N165-T167 PolarHBondContact O-N 3.48Å
166Q54.9Low61Low119 Ų119117.6 Ų117.656%0.55661%0.607SS**  trans-66.191.8163.3-93169.5-700104.4K162 K163 R164 I168K162-Q166 VanDerWaalsContact O-CG 3.28Å; K162-Q166 WeakPolarHBondContact O-CG 3.28Å; K162-Q166 PolarHBondContact O-N 3.18Å; K163-Q166 WeakPolarHBondContact O-CB 3.23Å; K163-Q166 PolarHBondContact O-N 3Å; R164-Q166 VanDerWaalsContact C-N 3.34Å; Q166-I168 PolarHBondContact O-N 2.96Å; Q166-I168 VanDerWaalsContact O-N 3.12Å
167T48.5Very low60.3Low113 Ų113115.4 Ų115.469%0.69360%0.597SS**  trans-38.6123.7147.525.60000105.3N165 E169N165-T167 PolarHBondContact O-N 3.48Å; T167-E169 PolarHBondContact O-N 3.19Å
168I50.1Low60.3Low150 Ų150115.5 Ų115.577%0.76960%0.6SS**  trans-51.999.1166.3-55.4170.5000103.2Q166 T170Q166-I168 PolarHBondContact O-N 2.96Å; Q166-I168 VanDerWaalsContact O-N 3.12Å; I168-T170 WeakPolarHBondContact CG2-OG1 3.5Å; I168-T170 PolarHBondContact O-N 2.62Å
169E43.6Very low60.5Low167 Ų167113.4 Ų113.478%0.7859%0.588SS**  trans-70.866.5161-71.1-174.4-173.500103.7T167 T171T167-E169 PolarHBondContact O-N 3.19Å; E169-T171 PolarHBondContact O-N 3.42Å
170T38.2Very low60.7Low94 Ų94113.8 Ų113.858%0.57759%0.59SS**  trans-52.4107.4138.6-56.20000100.4I168 V172I168-T170 WeakPolarHBondContact CG2-OG1 3.5Å; I168-T170 PolarHBondContact O-N 2.62Å; T170-V172 HydrophobicContact CG2-CG2 4.37Å; T170-V172 PolarHBondContact O-N 2.77Å
171T40.3Very low61.1Low112 Ų112114.1 Ų114.169%0.68759%0.592SS**  trans-5486.4156.743.20000104.3E169 T173E169-T171 PolarHBondContact O-N 3.42Å; T171-T173 PolarHBondContact O-N 2.76Å
172V40.5Very low61.5Low120 Ų120108 Ų10873%0.72757%0.569SS**  trans-62.986.3148.6-174.30000100.2T170 A174T170-V172 HydrophobicContact CG2-CG2 4.37Å; T170-V172 PolarHBondContact O-N 2.77Å; V172-A174 PolarHBondContact O-N 2.71Å
173T44.5Very low62Low101 Ų101102.1 Ų102.162%0.6254%0.544SS*.  trans-52.197153.341.40000102.5T171 E175T171-T173 PolarHBondContact O-N 2.76Å; T173-E175 PolarHBondContact O-N 2.82Å
174A45.6Very low62.6Low72 Ų7299.1 Ų99.160%0.59554%0.536SS*.  trans-46.2121.917400000104.6V172 T176V172-A174 PolarHBondContact O-N 2.71Å; A174-T176 VanDerWaalsContact C-N 3.33Å; A174-T176 VanDerWaalsContact O-CA 3.29Å; A174-T176 WeakPolarHBondContact O-CA 3.21Å; A174-T176 VanDerWaalsContact O-CG2 3.32Å; A174-T176 WeakPolarHBondContact O-CG2 3.49Å; A174-T176 PolarHBondContact O-N 3.01Å
175E53.4Low63.5Low142 Ų14294.7 Ų94.766%0.66452%0.523SS*.  trans-40.2103.3179.8-73.2175.5157.700107.2T173 I177T173-E175 PolarHBondContact O-N 2.82Å; E175-I177 PolarHBondContact O-N 3.25Å
176T60.5Low64.5Low119 Ų11989.2 Ų89.273%0.7349%0.494SS*.SBendtrans-71.7-5.7-162.537.70000111.5A174A174-T176 VanDerWaalsContact C-N 3.33Å; A174-T176 VanDerWaalsContact O-CA 3.29Å; A174-T176 WeakPolarHBondContact O-CA 3.21Å; A174-T176 VanDerWaalsContact O-CG2 3.32Å; A174-T176 WeakPolarHBondContact O-CG2 3.49Å; A174-T176 PolarHBondContact O-N 3.01Å
177I68.1Low66Low39 Ų3984.3 Ų84.320%0.248%0.475CS..SBendtrans-143.3114.6-173.9-50.4172.4000108.2E175 Q181 K182 E212 T215E175-I177 PolarHBondContact O-N 3.25Å; I177-Q181 HydrophobicContact CG2-CB 4.31Å; I177-K182 HydrophobicContact CG2-CB 4.06Å; I177-K182 HydrophobicContact CG2-CD 3.79Å; I177-K182 HydrophobicContact CG2-CG 4.48Å; I177-E212 HydrophobicContact CD1-CG 4.5Å; I177-T215 HydrophobicContact CG2-CG2 4.38Å; I177-T215 WeakPolarHBondContact O-CG2 3.49Å
178T81.1Confident67.8Low64 Ų6487.1 Ų87.139%0.39347%0.473SS..  trans-78.1156.517165.90000110.6D180 Q181 K182T178-D180 PolarHBondContact O-N 2.79Å; T178-Q181 WeakPolarHBondContact O-CB 3.38Å; T178-Q181 PolarHBondContact O-N 3.02Å; T178-Q181 VanDerWaalsContact O-N 3.11Å; T178-Q181 VanDerWaalsContact OG1-CG 3.31Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.49Å; T178-Q181 PolarHBondContact OG1-N 3.28Å; T178-K182 PolarHBondContact O-N 2.89Å; T178-K182 VanDerWaalsContact O-N 3.11Å
179V82.6Confident69.5Low46 Ų4684.8 Ų84.828%0.27945%0.454SS..Hα-helixtrans-54.8-43.6175.5179.30000110.6Q181 K182 V183 T215 M218 A219V179-Q181 VanDerWaalsContact C-N 3.33Å; V179-Q181 PolarHBondContact O-N 3.39Å; V179-K182 PolarHBondContact O-N 3.45Å; V179-K182 VanDerWaalsContact O-N 3.12Å; V179-V183 HydrophobicContact CG1-CG2 4.13Å; V179-V183 VanDerWaalsContact O-CG2 3.31Å; V179-V183 WeakPolarHBondContact O-CG2 3.47Å; V179-V183 PolarHBondContact O-N 3.46Å; V179-T215 HydrophobicContact CB-CG2 4.48Å; V179-T215 HydrophobicContact CG2-CG2 4.02Å; V179-M218 HydrophobicContact CG1-CB 4.27Å; V179-M218 HydrophobicContact CG2-CB 4.23Å; V179-A219 HydrophobicContact CG1-CB 4.41Å
180D85.6Confident71.4Confident107 Ų10777 Ų7757%0.57242%0.418SS*.Hα-helixtrans-59.2-39.9177.9-69.2-42000113.3T178 N184T178-D180 PolarHBondContact O-N 2.79Å; D180-N184 PolarHBondContact O-N 3.3Å; D180-N184 VanDerWaalsContact O-N 3.13Å; D180-N184 PolarHBondContact O-ND2 3.26Å
181Q85.6Confident73.5Confident106 Ų10679 Ų7950%0.49542%0.421SS..Hα-helixtrans-64.7-44.4176.5-75.1171.8-900110.6I177 T178 V179 N184 E185I177-Q181 HydrophobicContact CG2-CB 4.31Å; T178-Q181 WeakPolarHBondContact O-CB 3.38Å; T178-Q181 PolarHBondContact O-N 3.02Å; T178-Q181 VanDerWaalsContact O-N 3.11Å; T178-Q181 VanDerWaalsContact OG1-CG 3.31Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.49Å; T178-Q181 PolarHBondContact OG1-N 3.28Å; V179-Q181 VanDerWaalsContact C-N 3.33Å; V179-Q181 PolarHBondContact O-N 3.39Å; Q181-N184 PolarHBondContact O-N 2.7Å; Q181-E185 WeakPolarHBondContact O-CB 3.4Å; Q181-E185 PolarHBondContact O-N 2.85Å
182K84.4Confident75.5Confident4 Ų482.2 Ų82.22%0.01743%0.425CS..Hα-helixtrans-69.3-36.5-179.7-151.476.2-166.2167.70112.1I177 T178 V179 N184 E185 I186 E212 T215 T216 A219I177-K182 HydrophobicContact CG2-CB 4.06Å; I177-K182 HydrophobicContact CG2-CD 3.79Å; I177-K182 HydrophobicContact CG2-CG 4.48Å; T178-K182 PolarHBondContact O-N 2.89Å; T178-K182 VanDerWaalsContact O-N 3.11Å; V179-K182 PolarHBondContact O-N 3.45Å; V179-K182 VanDerWaalsContact O-N 3.12Å; K182-N184 VanDerWaalsContact C-N 3.34Å; K182-N184 PolarHBondContact O-N 3.01Å; K182-E185 WeakPolarHBondContact CD-OE2 3.33Å; K182-E185 WeakPolarHBondContact CE-OE2 3.14Å; K182-E185 VanDerWaalsContact NZ-CD 3.35Å; K182-E185 IonicContact NZ-OE1 2.79Å; K182-E185 PolarHBondContact NZ-OE1 2.98Å; K182-E185 IonicContact NZ-OE2 2.8Å; K182-E185 PolarHBondContact NZ-OE2 3.44Å; K182-E185 PolarHBondContact O-N 3.44Å; K182-I186 HydrophobicContact CG-CD1 4.02Å; K182-I186 HydrophobicContact CG-CG1 4.4Å; K182-I186 WeakPolarHBondContact O-CB 3.32Å; K182-I186 WeakPolarHBondContact O-CG1 3.24Å; K182-I186 PolarHBondContact O-N 3.38Å; K182-E212 IonicContact NZ-OE1 3.2Å; K182-T215 HydrophobicContact CB-CG2 4.13Å; K182-T216 WeakPolarHBondContact CE-OG1 3.41Å; K182-A219 HydrophobicContact CB-CB 3.81Å; K182-A219 HydrophobicContact CG-CB 4.14Å
183V87.1Confident77.4Confident11 Ų1177.5 Ų77.57%0.06740%0.396CS..Hα-helixtrans-57.7-46.8171.7168.90000110.7V179 G187 A219 E222 L223V179-V183 HydrophobicContact CG1-CG2 4.13Å; V179-V183 VanDerWaalsContact O-CG2 3.31Å; V179-V183 WeakPolarHBondContact O-CG2 3.47Å; V179-V183 PolarHBondContact O-N 3.46Å; V183-G187 PolarHBondContact O-N 2.89Å; V183-A219 HydrophobicContact CB-CB 4.4Å; V183-A219 HydrophobicContact CG2-CB 3.58Å; V183-E222 HydrophobicContact CG2-CB 4.17Å; V183-E222 HydrophobicContact CG2-CG 4.43Å; V183-L223 HydrophobicContact CG1-CD2 3.85Å; V183-L223 HydrophobicContact CG1-CG 4.16Å
184N88.4Confident78.9Confident97 Ų9776.5 Ų76.552%0.51939%0.393SS..Hα-helixtrans-67.3-39.6178.6-74.7-54.7000112.7D180 Q181 K182 R188D180-N184 PolarHBondContact O-N 3.3Å; D180-N184 VanDerWaalsContact O-N 3.13Å; D180-N184 PolarHBondContact O-ND2 3.26Å; Q181-N184 PolarHBondContact O-N 2.7Å; K182-N184 VanDerWaalsContact C-N 3.34Å; K182-N184 PolarHBondContact O-N 3.01Å; N184-R188 WeakPolarHBondContact O-CB 3.44Å; N184-R188 VanDerWaalsContact O-CG 3.27Å; N184-R188 WeakPolarHBondContact O-CG 3.5Å; N184-R188 PolarHBondContact O-N 3.49Å
185E86.4Confident80.1Confident88 Ų8881.6 Ų81.641%0.41141%0.405SS..Hα-helixtrans-63.1-50.8177.1-171.5-168.6157.100111.4Q181 K182 R188 R189Q181-E185 WeakPolarHBondContact O-CB 3.4Å; Q181-E185 PolarHBondContact O-N 2.85Å; K182-E185 WeakPolarHBondContact CD-OE2 3.33Å; K182-E185 WeakPolarHBondContact CE-OE2 3.14Å; K182-E185 VanDerWaalsContact NZ-CD 3.35Å; K182-E185 IonicContact NZ-OE1 2.79Å; K182-E185 PolarHBondContact NZ-OE1 2.98Å; K182-E185 IonicContact NZ-OE2 2.8Å; K182-E185 PolarHBondContact NZ-OE2 3.44Å; K182-E185 PolarHBondContact O-N 3.44Å; E185-R188 PolarHBondContact O-N 2.97Å; E185-R189 PolarHBondContact O-N 2.91Å; E185-R189 VanDerWaalsContact O-N 3.15Å
186I85.7Confident81Confident3 Ų382.3 Ų82.32%0.01541%0.413CS..Hα-helixtrans-66-42.8179.4-63.4174.4000110.3K182 R188 R189 L190 F204 T216 A219 L220 L223K182-I186 HydrophobicContact CG-CD1 4.02Å; K182-I186 HydrophobicContact CG-CG1 4.4Å; K182-I186 WeakPolarHBondContact O-CB 3.32Å; K182-I186 WeakPolarHBondContact O-CG1 3.24Å; K182-I186 PolarHBondContact O-N 3.38Å; I186-R188 PolarHBondContact O-N 2.79Å; I186-R189 WeakPolarHBondContact O-CB 3.4Å; I186-R189 PolarHBondContact O-N 3.32Å; I186-R189 VanDerWaalsContact O-N 3.08Å; I186-L190 HydrophobicContact CG2-CD1 4.07Å; I186-L190 HydrophobicContact CG2-CG 4.3Å; I186-L190 WeakPolarHBondContact O-CG 3.44Å; I186-L190 PolarHBondContact O-N 3.11Å; I186-F204 HydrophobicContact CB-CD1 4.45Å; I186-F204 HydrophobicContact CG1-CD1 4.07Å; I186-F204 HydrophobicContact CG2-CD1 3.84Å; I186-F204 HydrophobicContact CG2-CE1 3.73Å; I186-T216 HydrophobicContact CD1-CG2 3.92Å; I186-A219 HydrophobicContact CD1-CB 3.99Å; I186-L220 HydrophobicContact CD1-CD2 4.19Å; I186-L220 HydrophobicContact CD1-CG 3.94Å; I186-L220 HydrophobicContact CG2-CD2 3.73Å; I186-L223 HydrophobicContact CB-CD1 3.73Å; I186-L223 HydrophobicContact CG2-CD1 3.39Å
187G86.3Confident81.9Confident16 Ų1681.1 Ų81.117%0.16540%0.399CS..Hα-helixtrans-57.4-47.2176.700000112.5V183 R189 L190 E191V183-G187 PolarHBondContact O-N 2.89Å; G187-R189 VanDerWaalsContact C-N 3.26Å; G187-R189 PolarHBondContact O-N 2.78Å; G187-L190 PolarHBondContact O-N 2.85Å; G187-E191 WeakPolarHBondContact O-CG 3.25Å; G187-E191 PolarHBondContact O-N 3.35Å
188R86.1Confident82.5Confident171 Ų17180.4 Ų80.465%0.64540%0.401SS*.Hα-helixtrans-62.5-31.9175.2-74.5174.6-176.6-179.83.4113.1N184 E185 I186 K192N184-R188 WeakPolarHBondContact O-CB 3.44Å; N184-R188 VanDerWaalsContact O-CG 3.27Å; N184-R188 WeakPolarHBondContact O-CG 3.5Å; N184-R188 PolarHBondContact O-N 3.49Å; E185-R188 PolarHBondContact O-N 2.97Å; I186-R188 PolarHBondContact O-N 2.79Å; R188-K192 WeakPolarHBondContact O-CG 3.32Å
189R84.8Confident82.6Confident101 Ų10178.7 Ų78.738%0.38139%0.39SS..Hα-helixtrans-72.5-42.2177-165.1172.8-179179.4-7.7110.8E185 I186 G187 K192 L199 S203E185-R189 PolarHBondContact O-N 2.91Å; E185-R189 VanDerWaalsContact O-N 3.15Å; I186-R189 WeakPolarHBondContact O-CB 3.4Å; I186-R189 PolarHBondContact O-N 3.32Å; I186-R189 VanDerWaalsContact O-N 3.08Å; G187-R189 VanDerWaalsContact C-N 3.26Å; G187-R189 PolarHBondContact O-N 2.78Å; R189-K192 PolarHBondContact O-N 3.21Å; R189-L199 HydrophobicContact CG-CD1 4.1Å; R189-S203 VanDerWaalsContact CZ-O 3.31Å; R189-S203 PolarHBondContact NH1-O 3.32Å; R189-S203 PolarHBondContact NH2-O 3.44Å; R189-S203 VanDerWaalsContact NH2-O 3.14Å
190L83.5Confident82.6Confident4 Ų479.1 Ų79.12%0.02139%0.393CS..Hα-helixtrans-67.2-35.3175.2-68.1176.5000112.6I186 G187 K192 L193 F204 L223 A229 I242I186-L190 HydrophobicContact CG2-CD1 4.07Å; I186-L190 HydrophobicContact CG2-CG 4.3Å; I186-L190 WeakPolarHBondContact O-CG 3.44Å; I186-L190 PolarHBondContact O-N 3.11Å; G187-L190 PolarHBondContact O-N 2.85Å; L190-K192 PolarHBondContact O-N 2.93Å; L190-L193 HydrophobicContact CD2-CD1 3.71Å; L190-L193 WeakPolarHBondContact O-CB 3.44Å; L190-L193 PolarHBondContact O-N 2.64Å; L190-F204 HydrophobicContact CD2-CE1 4.33Å; L190-F204 HydrophobicContact CD2-CZ 3.88Å; L190-L223 HydrophobicContact CD1-CD1 4.27Å; L190-A229 HydrophobicContact CD1-CB 3.64Å; L190-I242 HydrophobicContact CD1-CG2 4.4Å; L190-I242 HydrophobicContact CD2-CG2 4.06Å
191E83.6Confident82.2Confident135 Ų13576.1 Ų76.163%0.63138%0.377SS*.Hα-helixtrans-62.7-30.3177.5-82.2178.6176.700113.7G187G187-E191 WeakPolarHBondContact O-CG 3.25Å; G187-E191 PolarHBondContact O-N 3.35Å
192K81.5Confident81.9Confident181 Ų18177.8 Ų77.879%0.78739%0.385SS*.THydrogen-bonded Turntrans-80-14.1179.5-71.1177.2-177.6-177.90113.9R188 R189 L190R188-K192 WeakPolarHBondContact O-CG 3.32Å; R189-K192 PolarHBondContact O-N 3.21Å; L190-K192 PolarHBondContact O-N 2.93Å
193L80.4Confident81.8Confident20 Ų2079.1 Ų79.111%0.10540%0.395CS..SBendtrans-75.5146.6178.9-68.7163.9000110.5L190 E197 L199L190-L193 HydrophobicContact CD2-CD1 3.71Å; L190-L193 WeakPolarHBondContact O-CB 3.44Å; L190-L193 PolarHBondContact O-N 2.64Å; L193-E197 HydrophobicContact CB-CB 4.31Å; L193-E197 HydrophobicContact CD2-CB 4.04Å; L193-E197 HydrophobicContact CD2-CG 3.71Å; L193-L199 HydrophobicContact CD1-CD1 3.71Å; L193-L199 HydrophobicContact CD1-CG 3.75Å; L193-L199 HydrophobicContact CD2-CD1 4.1Å; L193-L199 HydrophobicContact CD2-CD2 4.16Å; L193-L199 HydrophobicContact CD2-CG 3.83Å; L193-L199 HydrophobicContact CG-CD1 4.34Å; L193-L199 HydrophobicContact CG-CG 4.4Å
194S76.9Confident81.4Confident81 Ų8178.8 Ų78.857%0.56639%0.392SS*.  trans-68.3156.5168.6-55.50000110.2N196 E197S194-N196 PolarHBondContact O-N 3.44Å; S194-E197 PolarHBondContact N-OE2 2.95Å; S194-E197 PolarHBondContact O-N 3.29Å
195E69.8Low81Confident179 Ų17975.9 Ų75.984%0.83638%0.375SS*.THydrogen-bonded Turntrans-55.5-24.6-175.6-71.8-179.1169.100114.4
196N71.7Confident80.4Confident157 Ų15776.3 Ų76.384%0.8438%0.383SS*.THydrogen-bonded Turntrans-10811.2178.7-76-13.3000114.2S194S194-N196 PolarHBondContact O-N 3.44Å
197E80.5Confident79.8Confident94 Ų9481.4 Ų81.444%0.43941%0.407SS..  trans-100.2108.8-179-162.8-179.8179.700110.2L193 S194L193-E197 HydrophobicContact CB-CB 4.31Å; L193-E197 HydrophobicContact CD2-CB 4.04Å; L193-E197 HydrophobicContact CD2-CG 3.71Å; S194-E197 PolarHBondContact N-OE2 2.95Å; S194-E197 PolarHBondContact O-N 3.29Å
198G80.9Confident79.4Confident23 Ų2388.9 Ų88.924%0.23743%0.431CS..PPolyproline II helixtrans-96137.7174.900000111.3I242G198-I242 WeakPolarHBondContact CA-O 3.31Å
199L82.7Confident79Confident29 Ų2983.8 Ų83.815%0.15242%0.42CS..EExtended strand (participates in β ladder)trans-98.7137.5172.3-73.7177.9000110.6R189 L193 F204 L241 I242R189-L199 HydrophobicContact CG-CD1 4.1Å; L193-L199 HydrophobicContact CD1-CD1 3.71Å; L193-L199 HydrophobicContact CD1-CG 3.75Å; L193-L199 HydrophobicContact CD2-CD1 4.1Å; L193-L199 HydrophobicContact CD2-CD2 4.16Å; L193-L199 HydrophobicContact CD2-CG 3.83Å; L193-L199 HydrophobicContact CG-CD1 4.34Å; L193-L199 HydrophobicContact CG-CG 4.4Å; L199-F204 HydrophobicContact CB-CE2 3.91Å; L199-F204 HydrophobicContact CB-CZ 3.84Å; L199-F204 HydrophobicContact CD1-CE1 4.14Å; L199-F204 HydrophobicContact CD1-CZ 3.85Å; L199-F204 HydrophobicContact CG-CZ 4.5Å; L199-L241 WeakPolarHBondContact O-CA 3.46Å; L199-I242 PolarHBondContact N-O 2.95Å; L199-I242 PolarHBondContact O-N 3.31Å
200P81.8Confident78.6Confident54 Ų5486.4 Ų86.435%0.35143%0.434SS..EExtended strand (participates in β ladder)trans-63.7140.4172.626.1-31.1000109.9E202 S203 L241P200-E202 PolarHBondContact O-N 2.94Å; P200-E202 VanDerWaalsContact O-N 3.11Å; P200-S203 VanDerWaalsContact O-CB 3.31Å; P200-S203 WeakPolarHBondContact O-CB 3.42Å; P200-S203 PolarHBondContact O-N 3.11Å; P200-S203 PolarHBondContact O-OG 3.08Å; P200-L241 HydrophobicContact CB-CD2 4.38Å
201L78.6Confident78.3Confident44 Ų4490.2 Ų90.223%0.2345%0.454CS..G310 helixtrans-49.1-39.5179.9173.766000112.3S203 F204 F205 L220 I240 I242L201-S203 PolarHBondContact O-N 3.11Å; L201-F204 PolarHBondContact O-N 3.15Å; L201-F205 HydrophobicContact CD1-CE2 4.17Å; L201-F205 HydrophobicContact CD1-CZ 4.49Å; L201-F205 HydrophobicContact CG-CE2 4.05Å; L201-F205 WeakPolarHBondContact O-CD2 3.42Å; L201-F205 WeakPolarHBondContact O-CE2 3.45Å; L201-L220 HydrophobicContact CD1-CD1 3.43Å; L201-L220 VanDerWaalsContact CD1-CD1 3.43Å; L201-I240 HydrophobicContact CB-CB 4.23Å; L201-I240 HydrophobicContact CD2-CB 4.5Å; L201-I240 HydrophobicContact CD2-CD1 4.28Å; L201-I240 PolarHBondContact N-O 2.67Å; L201-I242 HydrophobicContact CD1-CD1 3.78Å
202E79.5Confident78.2Confident142 Ų14284.2 Ų84.266%0.66443%0.426SS*.G310 helixtrans-59-29178.9-64.8177.2-174.600113.3P200 F204 F205P200-E202 PolarHBondContact O-N 2.94Å; P200-E202 VanDerWaalsContact O-N 3.11Å; E202-F204 PolarHBondContact O-N 3.3Å; E202-F205 PolarHBondContact O-N 2.9Å
203S81Confident78.1Confident32 Ų3279.3 Ų79.322%0.22441%0.407CS..G310 helixtrans-70.3-13.6-177.172.80000114.3R189 P200 L201R189-S203 VanDerWaalsContact CZ-O 3.31Å; R189-S203 PolarHBondContact NH1-O 3.32Å; R189-S203 PolarHBondContact NH2-O 3.44Å; R189-S203 VanDerWaalsContact NH2-O 3.14Å; P200-S203 VanDerWaalsContact O-CB 3.31Å; P200-S203 WeakPolarHBondContact O-CB 3.42Å; P200-S203 PolarHBondContact O-N 3.11Å; P200-S203 PolarHBondContact O-OG 3.08Å; L201-S203 PolarHBondContact O-N 3.11Å
204F80Confident78.2Confident3 Ų382.7 Ų82.71%0.01342%0.424CS..G310 helixtrans-85.8-14.6178.2-64.8-76.6000113.4I186 L190 L199 L201 E202 T216 L220 I242I186-F204 HydrophobicContact CB-CD1 4.45Å; I186-F204 HydrophobicContact CG1-CD1 4.07Å; I186-F204 HydrophobicContact CG2-CD1 3.84Å; I186-F204 HydrophobicContact CG2-CE1 3.73Å; L190-F204 HydrophobicContact CD2-CE1 4.33Å; L190-F204 HydrophobicContact CD2-CZ 3.88Å; L199-F204 HydrophobicContact CB-CE2 3.91Å; L199-F204 HydrophobicContact CB-CZ 3.84Å; L199-F204 HydrophobicContact CD1-CE1 4.14Å; L199-F204 HydrophobicContact CD1-CZ 3.85Å; L199-F204 HydrophobicContact CG-CZ 4.5Å; L201-F204 PolarHBondContact O-N 3.15Å; E202-F204 PolarHBondContact O-N 3.3Å; F204-T216 HydrophobicContact CB-CG2 3.97Å; F204-L220 HydrophobicContact CD2-CD1 4.42Å; F204-I242 HydrophobicContact CD2-CD1 3.96Å; F204-I242 HydrophobicContact CE2-CB 3.84Å; F204-I242 HydrophobicContact CE2-CD1 3.67Å; F204-I242 HydrophobicContact CE2-CG1 3.94Å; F204-I242 HydrophobicContact CE2-CG2 4.43Å; F204-I242 HydrophobicContact CZ-CB 4.22Å; F204-I242 HydrophobicContact CZ-CG2 4.46Å
205F79.1Confident78.6Confident37 Ų3779.7 Ų79.716%0.16240%0.402CS..  trans-92121.9176.1-55.4-82.8000109.3L201 E202 M213 T216L201-F205 HydrophobicContact CD1-CE2 4.17Å; L201-F205 HydrophobicContact CD1-CZ 4.49Å; L201-F205 HydrophobicContact CG-CE2 4.05Å; L201-F205 WeakPolarHBondContact O-CD2 3.42Å; L201-F205 WeakPolarHBondContact O-CE2 3.45Å; E202-F205 PolarHBondContact O-N 2.9Å; F205-M213 HydrophobicContact CD1-CB 4.41Å; F205-M213 HydrophobicContact CD1-CG 4Å; F205-M213 HydrophobicContact CE1-CB 4.24Å; F205-M213 HydrophobicContact CE1-CG 4.22Å; F205-T216 HydrophobicContact CD1-CG2 3.94Å; F205-T216 HydrophobicContact CE1-CG2 3.8Å; F205-T216 HydrophobicContact CZ-CG2 4.31Å
206V74.6Confident79.3Confident97 Ų9771.1 Ų71.159%0.58836%0.362SS*.SBendtrans-98-42.6178.2-177.40000109.9E212V206-E212 WeakPolarHBondContact CA-OE1 3.49Å; V206-E212 WeakPolarHBondContact CB-OE1 3.42Å; V206-E212 PolarHBondContact N-OE1 3.23Å
207Q72.7Confident79.9Confident110 Ų11068.8 Ų68.851%0.51435%0.345SS..SBendtrans-118.6136.7172-37.1174.1-8.200109.7T209 E212Q207-T209 HydrophobicContact CB-CG2 4.27Å; Q207-T209 PolarHBondContact O-N 3.46Å; Q207-E212 VanDerWaalsContact CA-OE2 3.28Å; Q207-E212 WeakPolarHBondContact CA-OE2 3.42Å; Q207-E212 WeakPolarHBondContact CB-OE2 3.21Å; Q207-E212 WeakPolarHBondContact CG-OE2 3.29Å; Q207-E212 VanDerWaalsContact N-CD 3.29Å; Q207-E212 PolarHBondContact N-OE1 2.89Å; Q207-E212 VanDerWaalsContact N-OE1 3.1Å; Q207-E212 PolarHBondContact N-OE2 3.34Å; Q207-E212 VanDerWaalsContact O-CD 3.3Å
208Y77.6Confident80.2Confident172 Ų17269 Ų6968%0.67535%0.347SS*.  trans-84.741.4178.2-66.1-88.4000111.6
209T78.9Confident80.5Confident65 Ų6568 Ų6840%0.39934%0.336SS..  trans-83.3146.8172.360.20000109.3Q207 D211 E212 M213Q207-T209 HydrophobicContact CB-CG2 4.27Å; Q207-T209 PolarHBondContact O-N 3.46Å; T209-D211 PolarHBondContact O-N 3.31Å; T209-E212 PolarHBondContact O-N 2.82Å; T209-E212 VanDerWaalsContact OG1-CB 3.24Å; T209-E212 WeakPolarHBondContact OG1-CB 3.48Å; T209-E212 PolarHBondContact OG1-N 3.12Å; T209-M213 WeakPolarHBondContact O-CG 3.38Å; T209-M213 PolarHBondContact O-N 3.45Å
210K76Confident80.7Confident156 Ų15666.8 Ų66.868%0.67833%0.33SS*.Hα-helixtrans-57.6-40.2-177.9-171.2178.1176.8-175.10111.7M213 I214K210-M213 PolarHBondContact O-N 2.94Å; K210-I214 HydrophobicContact CG-CD1 4Å; K210-I214 VanDerWaalsContact O-CG1 3.26Å; K210-I214 WeakPolarHBondContact O-CG1 3.41Å; K210-I214 PolarHBondContact O-N 2.92Å; K210-I214 VanDerWaalsContact O-N 3.09Å
211D77.1Confident81Confident83 Ų8368 Ų6844%0.44433%0.333SS..Hα-helixtrans-69.7-45.3-179.6-66.4-3.3000111.8T209 M213 I214 T215T209-D211 PolarHBondContact O-N 3.31Å; D211-M213 VanDerWaalsContact C-N 3.3Å; D211-M213 PolarHBondContact O-N 3.46Å; D211-I214 PolarHBondContact O-N 3.23Å; D211-T215 WeakPolarHBondContact O-CB 3.49Å; D211-T215 PolarHBondContact O-N 3.31Å; D211-T215 PolarHBondContact O-OG1 3.45Å
212E80.2Confident81.3Confident10 Ų1068.6 Ų68.65%0.04734%0.335CS..Hα-helixtrans-62.1-40.6175.9-177.3176.6163.800111.4I177 K182 V206 Q207 T209 I214 T215 T216I177-E212 HydrophobicContact CD1-CG 4.5Å; K182-E212 IonicContact NZ-OE1 3.2Å; V206-E212 WeakPolarHBondContact CA-OE1 3.49Å; V206-E212 WeakPolarHBondContact CB-OE1 3.42Å; V206-E212 PolarHBondContact N-OE1 3.23Å; Q207-E212 VanDerWaalsContact CA-OE2 3.28Å; Q207-E212 WeakPolarHBondContact CA-OE2 3.42Å; Q207-E212 WeakPolarHBondContact CB-OE2 3.21Å; Q207-E212 WeakPolarHBondContact CG-OE2 3.29Å; Q207-E212 VanDerWaalsContact N-CD 3.29Å; Q207-E212 PolarHBondContact N-OE1 2.89Å; Q207-E212 VanDerWaalsContact N-OE1 3.1Å; Q207-E212 PolarHBondContact N-OE2 3.34Å; Q207-E212 VanDerWaalsContact O-CD 3.3Å; T209-E212 PolarHBondContact O-N 2.82Å; T209-E212 VanDerWaalsContact OG1-CB 3.24Å; T209-E212 WeakPolarHBondContact OG1-CB 3.48Å; T209-E212 PolarHBondContact OG1-N 3.12Å; E212-I214 VanDerWaalsContact C-N 3.34Å; E212-I214 PolarHBondContact O-N 3.43Å; E212-T215 PolarHBondContact O-N 2.86Å; E212-T216 WeakPolarHBondContact O-CB 3.5Å; E212-T216 PolarHBondContact O-N 2.85Å; E212-T216 PolarHBondContact O-OG1 3.47Å
213M80.4Confident81.6Confident78 Ų7862 Ų6238%0.38430%0.304SS..Hα-helixtrans-60.4-45.7178-74.1-171.4-68.300111.5F205 T209 K210 D211 F217F205-M213 HydrophobicContact CD1-CB 4.41Å; F205-M213 HydrophobicContact CD1-CG 4Å; F205-M213 HydrophobicContact CE1-CB 4.24Å; F205-M213 HydrophobicContact CE1-CG 4.22Å; T209-M213 WeakPolarHBondContact O-CG 3.38Å; T209-M213 PolarHBondContact O-N 3.45Å; K210-M213 PolarHBondContact O-N 2.94Å; D211-M213 VanDerWaalsContact C-N 3.3Å; D211-M213 PolarHBondContact O-N 3.46Å; M213-F217 VanDerWaalsContact O-CB 3.24Å; M213-F217 WeakPolarHBondContact O-CB 3.38Å; M213-F217 PolarHBondContact O-N 3.37Å
214I83.3Confident81.8Confident90 Ų9064.1 Ų64.146%0.46231%0.311SS..Hα-helixtrans-66.1-49178.8-67.3167.2000110.5K210 D211 E212 T216 F217 M218K210-I214 HydrophobicContact CG-CD1 4Å; K210-I214 VanDerWaalsContact O-CG1 3.26Å; K210-I214 WeakPolarHBondContact O-CG1 3.41Å; K210-I214 PolarHBondContact O-N 2.92Å; K210-I214 VanDerWaalsContact O-N 3.09Å; D211-I214 PolarHBondContact O-N 3.23Å; E212-I214 VanDerWaalsContact C-N 3.34Å; E212-I214 PolarHBondContact O-N 3.43Å; I214-T216 PolarHBondContact O-N 2.92Å; I214-F217 PolarHBondContact O-N 3Å; I214-M218 HydrophobicContact CG2-CG 4.37Å; I214-M218 WeakPolarHBondContact O-CB 3.33Å; I214-M218 VanDerWaalsContact O-CG 3.25Å; I214-M218 WeakPolarHBondContact O-CG 3.31Å; I214-M218 PolarHBondContact O-N 3.37Å
215T84.8Confident82Confident18 Ų1873 Ų7311%0.1135%0.35CS..Hα-helixtrans-64-40.6-178.2-58.70000112.1I177 V179 K182 D211 E212 M218 A219I177-T215 HydrophobicContact CG2-CG2 4.38Å; I177-T215 WeakPolarHBondContact O-CG2 3.49Å; V179-T215 HydrophobicContact CB-CG2 4.48Å; V179-T215 HydrophobicContact CG2-CG2 4.02Å; K182-T215 HydrophobicContact CB-CG2 4.13Å; D211-T215 WeakPolarHBondContact O-CB 3.49Å; D211-T215 PolarHBondContact O-N 3.31Å; D211-T215 PolarHBondContact O-OG1 3.45Å; E212-T215 PolarHBondContact O-N 2.86Å; T215-M218 PolarHBondContact O-N 2.94Å; T215-A219 WeakPolarHBondContact O-CB 3.42Å; T215-A219 PolarHBondContact O-N 2.97Å
216T84.3Confident82.2Confident0 Ų076.7 Ų76.70%037%0.366CS..Hα-helixtrans-66.6-41.9176.8-56.40000111.5K182 I186 F204 F205 E212 I214 A219 L220K182-T216 WeakPolarHBondContact CE-OG1 3.41Å; I186-T216 HydrophobicContact CD1-CG2 3.92Å; F204-T216 HydrophobicContact CB-CG2 3.97Å; F205-T216 HydrophobicContact CD1-CG2 3.94Å; F205-T216 HydrophobicContact CE1-CG2 3.8Å; F205-T216 HydrophobicContact CZ-CG2 4.31Å; E212-T216 WeakPolarHBondContact O-CB 3.5Å; E212-T216 PolarHBondContact O-N 2.85Å; E212-T216 PolarHBondContact O-OG1 3.47Å; I214-T216 PolarHBondContact O-N 2.92Å; T216-A219 PolarHBondContact O-N 3.36Å; T216-L220 WeakPolarHBondContact O-CG 3.46Å; T216-L220 PolarHBondContact O-N 2.91Å
217F85.1Confident82.6Confident107 Ų10773.7 Ų73.747%0.46936%0.355SS..Hα-helixtrans-64.4-44.5175.7-173.9-111.1000111.9M213 I214 A219 L220 L221M213-F217 VanDerWaalsContact O-CB 3.24Å; M213-F217 WeakPolarHBondContact O-CB 3.38Å; M213-F217 PolarHBondContact O-N 3.37Å; I214-F217 PolarHBondContact O-N 3Å; F217-A219 VanDerWaalsContact C-N 3.33Å; F217-A219 PolarHBondContact O-N 3.26Å; F217-L220 PolarHBondContact O-N 2.88Å; F217-L221 HydrophobicContact CD1-CD1 3.92Å; F217-L221 HydrophobicContact CD1-CG 4.44Å; F217-L221 HydrophobicContact CE1-CD1 3.51Å; F217-L221 HydrophobicContact CE1-CG 4.15Å; F217-L221 HydrophobicContact CZ-CD1 3.97Å; F217-L221 HydrophobicContact CZ-CD2 4.27Å; F217-L221 HydrophobicContact CZ-CG 4.21Å; F217-L221 WeakPolarHBondContact O-CG 3.44Å; F217-L221 PolarHBondContact O-N 3Å
218M86.6Confident83.1Confident100 Ų10072.8 Ų72.849%0.49335%0.35SS..Hα-helixtrans-59.6-43.2174.9-72.7-67.5-72.800111.9V179 I214 T215 L221 E222V179-M218 HydrophobicContact CG1-CB 4.27Å; V179-M218 HydrophobicContact CG2-CB 4.23Å; I214-M218 HydrophobicContact CG2-CG 4.37Å; I214-M218 WeakPolarHBondContact O-CB 3.33Å; I214-M218 VanDerWaalsContact O-CG 3.25Å; I214-M218 WeakPolarHBondContact O-CG 3.31Å; I214-M218 PolarHBondContact O-N 3.37Å; T215-M218 PolarHBondContact O-N 2.94Å; M218-L221 PolarHBondContact O-N 3.09Å; M218-E222 WeakPolarHBondContact O-CB 3.41Å; M218-E222 PolarHBondContact O-N 3.34Å
219A87.4Confident83.3Confident0 Ų064.8 Ų64.80%032%0.32CS..Hα-helixtrans-63.8-39.917700000112.9V179 K182 V183 I186 T215 T216 F217 E222 L223V179-A219 HydrophobicContact CG1-CB 4.41Å; K182-A219 HydrophobicContact CB-CB 3.81Å; K182-A219 HydrophobicContact CG-CB 4.14Å; V183-A219 HydrophobicContact CB-CB 4.4Å; V183-A219 HydrophobicContact CG2-CB 3.58Å; I186-A219 HydrophobicContact CD1-CB 3.99Å; T215-A219 WeakPolarHBondContact O-CB 3.42Å; T215-A219 PolarHBondContact O-N 2.97Å; T216-A219 PolarHBondContact O-N 3.36Å; F217-A219 VanDerWaalsContact C-N 3.33Å; F217-A219 PolarHBondContact O-N 3.26Å; A219-E222 PolarHBondContact O-N 3.33Å; A219-L223 WeakPolarHBondContact O-CG 3.24Å; A219-L223 PolarHBondContact O-N 3.32Å
220L86.1Confident83.6Confident5 Ų565 Ų653%0.02632%0.321CS..Hα-helixtrans-64.4-45.1174.6-79.8171000112.2I186 L201 F204 T216 F217 E222 L223 M224 I242I186-L220 HydrophobicContact CD1-CD2 4.19Å; I186-L220 HydrophobicContact CD1-CG 3.94Å; I186-L220 HydrophobicContact CG2-CD2 3.73Å; L201-L220 HydrophobicContact CD1-CD1 3.43Å; L201-L220 VanDerWaalsContact CD1-CD1 3.43Å; F204-L220 HydrophobicContact CD2-CD1 4.42Å; T216-L220 WeakPolarHBondContact O-CG 3.46Å; T216-L220 PolarHBondContact O-N 2.91Å; F217-L220 PolarHBondContact O-N 2.88Å; L220-E222 PolarHBondContact O-N 3.04Å; L220-L223 PolarHBondContact O-N 3.28Å; L220-M224 WeakPolarHBondContact O-CG 3.38Å; L220-M224 PolarHBondContact O-N 2.85Å; L220-I242 HydrophobicContact CD1-CD1 3.7Å; L220-I242 HydrophobicContact CD2-CD1 3.49Å; L220-I242 VanDerWaalsContact CD2-CD1 3.49Å; L220-I242 HydrophobicContact CD2-CG2 4.4Å; L220-I242 HydrophobicContact CG-CD1 4.2Å
221L86.9Confident83.9Confident79 Ų7959.3 Ų59.341%0.41430%0.303SS..Hα-helixtrans-60.3-38.1175.3-71179.7000111.6F217 M218 M224 K225F217-L221 HydrophobicContact CD1-CD1 3.92Å; F217-L221 HydrophobicContact CD1-CG 4.44Å; F217-L221 HydrophobicContact CE1-CD1 3.51Å; F217-L221 HydrophobicContact CE1-CG 4.15Å; F217-L221 HydrophobicContact CZ-CD1 3.97Å; F217-L221 HydrophobicContact CZ-CD2 4.27Å; F217-L221 HydrophobicContact CZ-CG 4.21Å; F217-L221 WeakPolarHBondContact O-CG 3.44Å; F217-L221 PolarHBondContact O-N 3Å; M218-L221 PolarHBondContact O-N 3.09Å; L221-M224 PolarHBondContact O-N 2.72Å; L221-K225 VanDerWaalsContact O-CB 3.26Å; L221-K225 WeakPolarHBondContact O-CB 3.36Å; L221-K225 PolarHBondContact O-N 3.37Å
222E86.2Confident84.2Confident57 Ų5758.4 Ų58.427%0.26630%0.301SS..Hα-helixtrans-67-41.9177.1-170.2169.8170.400112.5V183 M218 A219 L220 K225 K226V183-E222 HydrophobicContact CG2-CB 4.17Å; V183-E222 HydrophobicContact CG2-CG 4.43Å; M218-E222 WeakPolarHBondContact O-CB 3.41Å; M218-E222 PolarHBondContact O-N 3.34Å; A219-E222 PolarHBondContact O-N 3.33Å; L220-E222 PolarHBondContact O-N 3.04Å; E222-K225 PolarHBondContact O-N 2.91Å; E222-K226 HydrophobicContact CG-CD 4.48Å; E222-K226 WeakPolarHBondContact O-CG 3.33Å; E222-K226 PolarHBondContact O-N 3.4Å; E222-K226 WeakPolarHBondContact OE1-CE 3.26Å; E222-K226 IonicContact OE1-NZ 2.72Å; E222-K226 PolarHBondContact OE1-NZ 3.44Å
223L86.3Confident84.2Confident2 Ų262.5 Ų62.51%0.0132%0.32CS..Hα-helixtrans-64.5-40.7174.4-73171.2000112.2V183 I186 L190 A219 L220 K226 G227 Q228 A229V183-L223 HydrophobicContact CG1-CD2 3.85Å; V183-L223 HydrophobicContact CG1-CG 4.16Å; I186-L223 HydrophobicContact CB-CD1 3.73Å; I186-L223 HydrophobicContact CG2-CD1 3.39Å; L190-L223 HydrophobicContact CD1-CD1 4.27Å; A219-L223 WeakPolarHBondContact O-CG 3.24Å; A219-L223 PolarHBondContact O-N 3.32Å; L220-L223 PolarHBondContact O-N 3.28Å; L223-K226 PolarHBondContact O-N 2.81Å; L223-G227 PolarHBondContact O-N 3.13Å; L223-Q228 HydrophobicContact CD2-CB 4.09Å; L223-Q228 VanDerWaalsContact CD2-OE1 3.23Å; L223-Q228 PolarHBondContact O-N 3.02Å; L223-A229 HydrophobicContact CB-CB 3.89Å; L223-A229 PolarHBondContact O-N 3.34Å
224M84.8Confident84Confident77 Ų7767.4 Ų67.438%0.37934%0.342SS..Hα-helixtrans-64.1-42.2174.4-71.217867.300111.4L220 L221 K226 G227 A229 A231L220-M224 WeakPolarHBondContact O-CG 3.38Å; L220-M224 PolarHBondContact O-N 2.85Å; L221-M224 PolarHBondContact O-N 2.72Å; M224-K226 VanDerWaalsContact C-N 3.28Å; M224-K226 PolarHBondContact O-N 3.24Å; M224-G227 PolarHBondContact O-N 3.32Å; M224-A229 HydrophobicContact CG-CB 4.06Å; M224-A231 HydrophobicContact CE-CB 3.78Å; M224-A231 HydrophobicContact SD-CB 4.09Å
225K84.2Confident83.7Confident190 Ų19070.1 Ų70.183%0.82635%0.352SS*.Hα-helixtrans-62.3-33.5176.2-174.8-179.8178-176.50112.5L221 E222 G227L221-K225 VanDerWaalsContact O-CB 3.26Å; L221-K225 WeakPolarHBondContact O-CB 3.36Å; L221-K225 PolarHBondContact O-N 3.37Å; E222-K225 PolarHBondContact O-N 2.91Å; K225-G227 VanDerWaalsContact C-N 3.29Å
226K83.9Confident83.1Confident115 Ų11574.7 Ų74.750%0.538%0.381SS..THydrogen-bonded Turntrans-81.8-1.5175.1-69.8175.4-173.3165.30113.6E222 L223 M224 Q228E222-K226 HydrophobicContact CG-CD 4.48Å; E222-K226 WeakPolarHBondContact O-CG 3.33Å; E222-K226 PolarHBondContact O-N 3.4Å; E222-K226 WeakPolarHBondContact OE1-CE 3.26Å; E222-K226 IonicContact OE1-NZ 2.72Å; E222-K226 PolarHBondContact OE1-NZ 3.44Å; L223-K226 PolarHBondContact O-N 2.81Å; M224-K226 VanDerWaalsContact C-N 3.28Å; M224-K226 PolarHBondContact O-N 3.24Å; K226-Q228 HydrophobicContact CB-CG 4.13Å; K226-Q228 PolarHBondContact O-N 3.37Å
227G81.9Confident82.6Confident34 Ų3485.5 Ų85.535%0.35142%0.423SS..THydrogen-bonded Turntrans71.216.2-176.500000114.3L223 M224 K225 G245L223-G227 PolarHBondContact O-N 3.13Å; M224-G227 PolarHBondContact O-N 3.32Å; K225-G227 VanDerWaalsContact C-N 3.29Å; G227-G245 WeakPolarHBondContact O-CA 3.21Å
228Q82.9Confident82.1Confident91 Ų9181.8 Ų81.843%0.42541%0.412SS..SBendtrans-93-13-178.4-66.5179.4-2900113L223 K226 G245L223-Q228 HydrophobicContact CD2-CB 4.09Å; L223-Q228 VanDerWaalsContact CD2-OE1 3.23Å; L223-Q228 PolarHBondContact O-N 3.02Å; K226-Q228 HydrophobicContact CB-CG 4.13Å; K226-Q228 PolarHBondContact O-N 3.37Å; Q228-G245 PolarHBondContact O-N 3.25Å
229A83Confident81.6Confident4 Ų481.4 Ų81.43%0.03342%0.417CS..EExtended strand (participates in β ladder)trans-136.2147.8174.600000110.3L190 L223 M224 I242 F243L190-A229 HydrophobicContact CD1-CB 3.64Å; L223-A229 HydrophobicContact CB-CB 3.89Å; L223-A229 PolarHBondContact O-N 3.34Å; M224-A229 HydrophobicContact CG-CB 4.06Å; A229-I242 HydrophobicContact CB-CG2 4.08Å; A229-F243 CarbonylContact C-O 3.57Å; A229-F243 WeakPolarHBondContact CA-O 3.38Å
230T84.9Confident81.2Confident68 Ų6884.3 Ų84.342%0.41743%0.432SS..EExtended strand (participates in β ladder)trans-131.3128.9175.1-53.60000109.1T232 I242 F243T230-T232 HydrophobicContact CG2-CG2 4.48Å; T230-I242 CarbonylContact O-C 3.6Å; T230-I242 WeakPolarHBondContact O-CA 3.44Å; T230-F243 PolarHBondContact N-O 3.26Å; T230-F243 PolarHBondContact O-N 3.4Å
231A82.5Confident81.1Confident38 Ų3886.6 Ų86.631%0.31444%0.444SS..EExtended strand (participates in β ladder)trans-101.1133175.900000110M224 I240 L241M224-A231 HydrophobicContact CE-CB 3.78Å; M224-A231 HydrophobicContact SD-CB 4.09Å; A231-I240 HydrophobicContact CB-CG2 3.92Å; A231-L241 CarbonylContact C-O 3.24Å; A231-L241 VanDerWaalsContact CA-O 3.32Å; A231-L241 WeakPolarHBondContact CA-O 3.36Å
232T82.9Confident80.9Confident63 Ų6383 Ų8339%0.38743%0.425SS..EExtended strand (participates in β ladder)trans-129.1149.9172.565.30000110.3T230 L241 F243T230-T232 HydrophobicContact CG2-CG2 4.48Å; T232-L241 PolarHBondContact N-O 3.34Å; T232-L241 PolarHBondContact O-N 3Å; T232-F243 HydrophobicContact CG2-CD2 4.42Å; T232-F243 HydrophobicContact CG2-CE2 4.46Å; T232-F243 WeakPolarHBondContact OG1-CE2 3.48Å
233Q79.4Confident80.8Confident97 Ų9782.6 Ų82.645%0.45342%0.423SS..  trans-140118.6178-175.8179.536.300107.1E235 A238 I240Q233-E235 VanDerWaalsContact CG-O 3.29Å; Q233-E235 WeakPolarHBondContact CG-O 3.31Å; Q233-A238 HydrophobicContact CG-CB 4.37Å; Q233-A238 PolarHBondContact NE2-O 3.39Å; Q233-I240 HydrophobicContact CB-CG1 4.44Å; Q233-I240 HydrophobicContact CG-CG1 4.48Å
234E76.9Confident80.6Confident180 Ų18086.7 Ų86.784%0.84144%0.44SS*.SBendtrans-75.8-40-173.1-64.9-171.4162.300112.7
235E77.1Confident80.2Confident147 Ų14783.5 Ų83.569%0.68743%0.427SS*.SBendtrans-131.4154.2179.9-61-173.8163.800111.3Q233 Y237 A238Q233-E235 VanDerWaalsContact CG-O 3.29Å; Q233-E235 WeakPolarHBondContact CG-O 3.31Å; E235-Y237 PolarHBondContact O-N 3.45Å; E235-A238 HydrophobicContact CB-CB 4.08Å; E235-A238 VanDerWaalsContact O-CB 3.26Å; E235-A238 WeakPolarHBondContact O-CB 3.27Å; E235-A238 PolarHBondContact O-N 3Å
236T71.7Confident79.3Confident115 Ų11580.2 Ų80.271%0.70642%0.423SS*.THydrogen-bonded Turntrans-56.9126171.8-44.70000109.4A238T236-A238 VanDerWaalsContact C-N 3.3Å; T236-A238 PolarHBondContact O-N 3.04Å
237Y73.2Confident77.9Confident227 Ų22781.8 Ų81.889%0.8944%0.435SS*.THydrogen-bonded Turntrans72.56.6-174.6-49.5-78000116.4E235E235-Y237 PolarHBondContact O-N 3.45Å
238A76.3Confident75.8Confident28 Ų2889.6 Ų89.623%0.23148%0.475CS..SBendtrans-73.6159168.200000111.6Q233 E235 T236 I240Q233-A238 HydrophobicContact CG-CB 4.37Å; Q233-A238 PolarHBondContact NE2-O 3.39Å; E235-A238 HydrophobicContact CB-CB 4.08Å; E235-A238 VanDerWaalsContact O-CB 3.26Å; E235-A238 WeakPolarHBondContact O-CB 3.27Å; E235-A238 PolarHBondContact O-N 3Å; T236-A238 VanDerWaalsContact C-N 3.3Å; T236-A238 PolarHBondContact O-N 3.04Å; A238-I240 PolarHBondContact O-N 3.49Å
239P74.6Confident75.4Confident93 Ų9389.5 Ų89.560%0.60448%0.478SS*.PPolyproline II helixtrans-57.5136.7174-21.432.2000111.6
240I79.1Confident75.1Confident61 Ų6194 Ų9431%0.31350%0.501SS..PPolyproline II helixtrans-78.2124.5173.2-61171.6000108.2L201 A231 Q233 A238L201-I240 HydrophobicContact CB-CB 4.23Å; L201-I240 HydrophobicContact CD2-CB 4.5Å; L201-I240 HydrophobicContact CD2-CD1 4.28Å; L201-I240 PolarHBondContact N-O 2.67Å; A231-I240 HydrophobicContact CB-CG2 3.92Å; Q233-I240 HydrophobicContact CB-CG1 4.44Å; Q233-I240 HydrophobicContact CG-CG1 4.48Å; A238-I240 PolarHBondContact O-N 3.49Å
241L83.7Confident74.5Confident52 Ų5295.4 Ų95.427%0.27251%0.506SS..EExtended strand (participates in β ladder)trans-101.9134.7176.4-69.1172.2000110.1L199 P200 A231 T232 F243L199-L241 WeakPolarHBondContact O-CA 3.46Å; P200-L241 HydrophobicContact CB-CD2 4.38Å; A231-L241 CarbonylContact C-O 3.24Å; A231-L241 VanDerWaalsContact CA-O 3.32Å; A231-L241 WeakPolarHBondContact CA-O 3.36Å; T232-L241 PolarHBondContact N-O 3.34Å; T232-L241 PolarHBondContact O-N 3Å; L241-F243 HydrophobicContact CB-CD2 4.43Å; L241-F243 HydrophobicContact CB-CE2 3.55Å; L241-F243 HydrophobicContact CB-CZ 4.05Å; L241-F243 HydrophobicContact CD1-CZ 4.31Å
242I83.6Confident74Confident4 Ų498.8 Ų98.82%0.02152%0.517CS..EExtended strand (participates in β ladder)trans-110.1122179.2-48.9-166000109.2L190 G198 L199 L201 F204 L220 A229 T230L190-I242 HydrophobicContact CD1-CG2 4.4Å; L190-I242 HydrophobicContact CD2-CG2 4.06Å; G198-I242 WeakPolarHBondContact CA-O 3.31Å; L199-I242 PolarHBondContact N-O 2.95Å; L199-I242 PolarHBondContact O-N 3.31Å; L201-I242 HydrophobicContact CD1-CD1 3.78Å; F204-I242 HydrophobicContact CD2-CD1 3.96Å; F204-I242 HydrophobicContact CE2-CB 3.84Å; F204-I242 HydrophobicContact CE2-CD1 3.67Å; F204-I242 HydrophobicContact CE2-CG1 3.94Å; F204-I242 HydrophobicContact CE2-CG2 4.43Å; F204-I242 HydrophobicContact CZ-CB 4.22Å; F204-I242 HydrophobicContact CZ-CG2 4.46Å; L220-I242 HydrophobicContact CD1-CD1 3.7Å; L220-I242 HydrophobicContact CD2-CD1 3.49Å; L220-I242 VanDerWaalsContact CD2-CD1 3.49Å; L220-I242 HydrophobicContact CD2-CG2 4.4Å; L220-I242 HydrophobicContact CG-CD1 4.2Å; A229-I242 HydrophobicContact CB-CG2 4.08Å; T230-I242 CarbonylContact O-C 3.6Å; T230-I242 WeakPolarHBondContact O-CA 3.44Å
243F83.2Confident73.5Confident49 Ų49101.1 Ų101.122%0.21553%0.525CS..EExtended strand (participates in β ladder)trans-106.8158.4179.2-63.1-94.5000110.5A229 T230 T232 L241 G245A229-F243 CarbonylContact C-O 3.57Å; A229-F243 WeakPolarHBondContact CA-O 3.38Å; T230-F243 PolarHBondContact N-O 3.26Å; T230-F243 PolarHBondContact O-N 3.4Å; T232-F243 HydrophobicContact CG2-CD2 4.42Å; T232-F243 HydrophobicContact CG2-CE2 4.46Å; T232-F243 WeakPolarHBondContact OG1-CE2 3.48Å; L241-F243 HydrophobicContact CB-CD2 4.43Å; L241-F243 HydrophobicContact CB-CE2 3.55Å; L241-F243 HydrophobicContact CB-CZ 4.05Å; L241-F243 HydrophobicContact CD1-CZ 4.31Å; F243-G245 PolarHBondContact O-N 3.28Å
244K83.5Confident73.1Confident88 Ų88101.3 Ų101.338%0.38353%0.53SS..EExtended strand (participates in β ladder)trans-64.1128.9168.1-174.4179-178.1175.60109.4
245G75.6Confident72.8Confident10 Ų1095.7 Ų95.710%0.10351%0.508CS..  trans-67.4133.5176.900000111.1G227 Q228 F243 I247G227-G245 WeakPolarHBondContact O-CA 3.21Å; Q228-G245 PolarHBondContact O-N 3.25Å; F243-G245 PolarHBondContact O-N 3.28Å; G245-I247 PolarHBondContact O-N 3.1Å
246V65.7Low72.5Confident121 Ų12191.8 Ų91.873%0.73349%0.494SS*.  trans-83110.2170.9-1770000106.5V248V246-V248 PolarHBondContact O-N 2.9Å
247I53.9Low72.6Confident147 Ų14789.8 Ų89.875%0.75448%0.477SS*.  trans-64.1107.1172.4-56.6171.6000106.5G245G245-I247 PolarHBondContact O-N 3.1Å
248V38.3Very low72.5Confident198 Ų19877.4 Ų77.4100%1.244%0.439SS*.  trans-85.20164.3-177.50000108.6V246V246-V248 PolarHBondContact O-N 2.9Å

Retrieved 248 of 248 residues in 111.2 ms (Link to these results)

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