A0A077Z9L7_TRITR Loading...

DUF7041 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z9L7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 307 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
1M58.5Low79.9Confident172 Ų17269.7 Ų69.785%0.84742%0.42SS*.  0137.20-59-154.3-98.500109.5R25M1-R25 VanDerWaalsContact N-NH2 3.12Å; M1-R25 PolarHBondContact O-NH2 2.81Å
2A79.3Confident80.2Confident91 Ų9167.9 Ų67.975%0.75240%0.403SS*.PPolyproline II helixtrans-74.1160.5177.600000111.5F21A2-F21 WeakPolarHBondContact O-CE2 2.97Å
3V82.4Confident80.5Confident34 Ų3469.2 Ų69.221%0.20641%0.406CS..PPolyproline II helixtrans-63.5137.3170.2-1750000108.5T5 L18 F21 L36 A40V3-T5 PolarHBondContact O-N 3.04Å; V3-L18 HydrophobicContact CG1-CD2 3.66Å; V3-F21 HydrophobicContact CG2-CE1 4.15Å; V3-F21 HydrophobicContact CG2-CZ 4.1Å; V3-L36 HydrophobicContact CG2-CD2 3.9Å; V3-A40 HydrophobicContact CB-CB 4.23Å; V3-A40 HydrophobicContact CG1-CB 3.54Å
4P85.3Confident81.2Confident17 Ų1764.3 Ų64.311%0.1138%0.377CS..PPolyproline II helixtrans-53.7127.9174.6-25.132000112.5W14 R17 L18 F21P4-W14 PolarHBondContact O-NE1 3.38Å; P4-R17 HydrophobicContact CB-CB 4.38Å; P4-R17 HydrophobicContact CG-CB 4.37Å; P4-L18 HydrophobicContact CG-CD2 4.19Å; P4-F21 HydrophobicContact CG-CB 4.22Å; P4-F21 HydrophobicContact CG-CG 4.49Å
5T88.1Confident81.8Confident105 Ų10560.1 Ų60.164%0.64435%0.353SS*.PPolyproline II helixtrans-62.4138.4174.753.50000111.2V3 W14V3-T5 PolarHBondContact O-N 3.04Å; T5-W14 PolarHBondContact O-NE1 3.07Å
6F87.6Confident82.2Confident20 Ų2059.3 Ų59.39%0.08836%0.355CS..PPolyproline II helixtrans-55.9137.8177.5-173.2-108.3000113.1P8 W14 A40 M41 P42 T45 L74F6-P8 HydrophobicContact CD1-CB 4.37Å; F6-P8 HydrophobicContact CE1-CB 3.92Å; F6-W14 VanDerWaalsContact CA-CD1 3.48Å; F6-W14 VanDerWaalsContact CA-NE1 3.35Å; F6-W14 HydrophobicContact CB-CZ2 4.37Å; F6-W14 AromaticContact CD2-CD2 3.56Å; F6-W14 HydrophobicContact CD2-CD2 3.56Å; F6-W14 AromaticContact CD2-CE2 3.73Å; F6-W14 AromaticContact CD2-CE3 3.62Å; F6-W14 HydrophobicContact CD2-CE3 3.62Å; F6-W14 HydrophobicContact CD2-CG 4.09Å; F6-W14 AromaticContact CD2-CH2 3.93Å; F6-W14 HydrophobicContact CD2-CH2 3.93Å; F6-W14 AromaticContact CD2-CZ2 3.89Å; F6-W14 HydrophobicContact CD2-CZ2 3.89Å; F6-W14 AromaticContact CD2-CZ3 3.82Å; F6-W14 HydrophobicContact CD2-CZ3 3.82Å; F6-W14 HydrophobicContact CE2-CD2 4.16Å; F6-W14 AromaticContact CE2-CE3 3.82Å; F6-W14 HydrophobicContact CE2-CE3 3.82Å; F6-W14 HydrophobicContact CE2-CZ3 4.04Å; F6-A40 VanDerWaalsContact CB-O 3.31Å; F6-A40 WeakPolarHBondContact CB-O 3.37Å; F6-A40 PolarHBondContact N-O 3.12Å; F6-M41 HydrophobicContact CD2-CG 3.89Å; F6-M41 HydrophobicContact CE2-CE 4.33Å; F6-M41 HydrophobicContact CE2-CG 4.35Å; F6-M41 HydrophobicContact CG-CG 4.29Å; F6-P42 HydrophobicContact CD1-CG 4.04Å; F6-T45 HydrophobicContact CD1-CG2 4.48Å; F6-T45 HydrophobicContact CE1-CG2 3.73Å; F6-T45 WeakPolarHBondContact CE1-OG1 3.38Å; F6-T45 HydrophobicContact CE2-CG2 4.35Å; F6-T45 HydrophobicContact CZ-CG2 3.67Å; F6-L74 HydrophobicContact CZ-CD1 3.85Å
7L84Confident82.7Confident50 Ų5062.5 Ų62.526%0.26236%0.359SS..  trans-114.197.4176.3-74.5140.6000109.3T9 D10 W14L7-T9 PolarHBondContact O-N 3.4Å; L7-D10 CarbonylContact O-C 3.47Å; L7-D10 VanDerWaalsContact O-C 3.27Å; L7-D10 PolarHBondContact O-N 3.46Å; L7-W14 HydrophobicContact CB-CB 4.17Å; L7-W14 HydrophobicContact CD1-CB 4.3Å
8P77.5Confident83.1Confident96 Ų9659.1 Ų59.162%0.62334%0.339SS*.THydrogen-bonded Turntrans-65.8-26-179.825.1-33.3000112.8F6 D10F6-P8 HydrophobicContact CD1-CB 4.37Å; F6-P8 HydrophobicContact CE1-CB 3.92Å; P8-D10 VanDerWaalsContact C-N 3.32Å
9T75.6Confident83.5Confident119 Ų11958.5 Ų58.573%0.7334%0.335SS*.THydrogen-bonded Turntrans-70.7-27.1178-44.60000113.1L7L7-T9 PolarHBondContact O-N 3.4Å
10D78.3Confident83.9Confident50 Ų5061.3 Ų61.327%0.26735%0.348SS..  trans-150.479.1-177.2-168.8-13000109.7L7 P8 E12 L13 W14L7-D10 CarbonylContact O-C 3.47Å; L7-D10 VanDerWaalsContact O-C 3.27Å; L7-D10 PolarHBondContact O-N 3.46Å; P8-D10 VanDerWaalsContact C-N 3.32Å; D10-E12 PolarHBondContact O-N 3.06Å; D10-E12 PolarHBondContact OD1-N 3.49Å; D10-L13 HydrophobicContact CB-CB 3.98Å; D10-L13 PolarHBondContact O-N 3.02Å; D10-L13 WeakPolarHBondContact OD1-CB 3.42Å; D10-L13 PolarHBondContact OD1-N 2.98Å; D10-L13 VanDerWaalsContact OD2-CB 3.28Å; D10-L13 WeakPolarHBondContact OD2-CB 3.32Å; D10-W14 PolarHBondContact O-N 3.41Å; D10-W14 VanDerWaalsContact O-N 3.16Å
11P82.9Confident84.3Confident13 Ų1359.7 Ų59.78%0.08434%0.338CS..Hα-helixtrans-63.9-31.3-179.925-33.5000111.9W14 F15 L74P11-W14 PolarHBondContact O-N 3.5Å; P11-F15 WeakPolarHBondContact O-CD2 3.35Å; P11-F15 PolarHBondContact O-N 3.13Å; P11-L74 HydrophobicContact CB-CD1 4.06Å; P11-L74 HydrophobicContact CG-CB 4.01Å; P11-L74 HydrophobicContact CG-CD1 4.38Å
12E82.9Confident85.9Confident48 Ų4851.7 Ų51.722%0.22430%0.298CS..Hα-helixtrans-59.7-49.2174.7-78.3-172.6175.100111.4D10 W14 F15 A16 L71 M75 R78D10-E12 PolarHBondContact O-N 3.06Å; D10-E12 PolarHBondContact OD1-N 3.49Å; E12-W14 VanDerWaalsContact C-N 3.27Å; E12-W14 PolarHBondContact O-N 3.36Å; E12-F15 PolarHBondContact O-N 3.44Å; E12-A16 PolarHBondContact O-N 3.2Å; E12-L71 HydrophobicContact CB-CD2 4.33Å; E12-L71 HydrophobicContact CG-CD2 3.52Å; E12-M75 HydrophobicContact CG-CE 4.44Å; E12-M75 HydrophobicContact CG-SD 3.8Å; E12-M75 WeakPolarHBondContact OE1-CE 3.37Å; E12-M75 VanDerWaalsContact OE1-SD 3.32Å; E12-R78 IonicContact OE1-NH1 2.84Å; E12-R78 PolarHBondContact OE1-NH1 2.91Å; E12-R78 VanDerWaalsContact OE1-NH1 3.16Å; E12-R78 IonicContact OE2-CZ 3.67Å; E12-R78 IonicContact OE2-NH1 3.65Å; E12-R78 PolarHBondContact OE2-NH1 3.29Å; E12-R78 IonicContact OE2-NH2 2.65Å
13L83.9Confident86.4Confident85 Ų8555.8 Ų55.845%0.44529%0.294SS..Hα-helixtrans-61.6-38.3177.317862.8000111.6D10 A16 R17D10-L13 HydrophobicContact CB-CB 3.98Å; D10-L13 PolarHBondContact O-N 3.02Å; D10-L13 WeakPolarHBondContact OD1-CB 3.42Å; D10-L13 PolarHBondContact OD1-N 2.98Å; D10-L13 VanDerWaalsContact OD2-CB 3.28Å; D10-L13 WeakPolarHBondContact OD2-CB 3.32Å; L13-A16 PolarHBondContact O-N 3.14Å; L13-R17 WeakPolarHBondContact O-CG 3.29Å; L13-R17 PolarHBondContact O-N 3.22Å
14W90.3Very high86.8Confident0 Ų060.2 Ų60.20%031%0.312CS..Hα-helixtrans-63.2-47.7176.8179.572.1000112.3P4 T5 F6 L7 D10 P11 E12 A16 R17 L18 A37 A40 M41P4-W14 PolarHBondContact O-NE1 3.38Å; T5-W14 PolarHBondContact O-NE1 3.07Å; F6-W14 VanDerWaalsContact CA-CD1 3.48Å; F6-W14 VanDerWaalsContact CA-NE1 3.35Å; F6-W14 HydrophobicContact CB-CZ2 4.37Å; F6-W14 AromaticContact CD2-CD2 3.56Å; F6-W14 HydrophobicContact CD2-CD2 3.56Å; F6-W14 AromaticContact CD2-CE2 3.73Å; F6-W14 AromaticContact CD2-CE3 3.62Å; F6-W14 HydrophobicContact CD2-CE3 3.62Å; F6-W14 HydrophobicContact CD2-CG 4.09Å; F6-W14 AromaticContact CD2-CH2 3.93Å; F6-W14 HydrophobicContact CD2-CH2 3.93Å; F6-W14 AromaticContact CD2-CZ2 3.89Å; F6-W14 HydrophobicContact CD2-CZ2 3.89Å; F6-W14 AromaticContact CD2-CZ3 3.82Å; F6-W14 HydrophobicContact CD2-CZ3 3.82Å; F6-W14 HydrophobicContact CE2-CD2 4.16Å; F6-W14 AromaticContact CE2-CE3 3.82Å; F6-W14 HydrophobicContact CE2-CE3 3.82Å; F6-W14 HydrophobicContact CE2-CZ3 4.04Å; L7-W14 HydrophobicContact CB-CB 4.17Å; L7-W14 HydrophobicContact CD1-CB 4.3Å; D10-W14 PolarHBondContact O-N 3.41Å; D10-W14 VanDerWaalsContact O-N 3.16Å; P11-W14 PolarHBondContact O-N 3.5Å; E12-W14 VanDerWaalsContact C-N 3.27Å; E12-W14 PolarHBondContact O-N 3.36Å; W14-A16 VanDerWaalsContact C-N 3.32Å; W14-A16 PolarHBondContact O-N 2.94Å; W14-R17 WeakPolarHBondContact O-CB 3.47Å; W14-R17 PolarHBondContact O-N 3.39Å; W14-R17 VanDerWaalsContact O-N 3.13Å; W14-L18 HydrophobicContact CD2-CD1 3.88Å; W14-L18 HydrophobicContact CD2-CG 4.27Å; W14-L18 HydrophobicContact CE3-CD1 3.8Å; W14-L18 HydrophobicContact CH2-CD1 3.27Å; W14-L18 HydrophobicContact CH2-CG 4.43Å; W14-L18 HydrophobicContact CZ2-CD1 3.33Å; W14-L18 HydrophobicContact CZ2-CD2 4.43Å; W14-L18 HydrophobicContact CZ2-CG 4.07Å; W14-L18 HydrophobicContact CZ3-CD1 3.49Å; W14-L18 VanDerWaalsContact CZ3-CD1 3.49Å; W14-L18 PolarHBondContact O-N 2.96Å; W14-A37 HydrophobicContact CH2-CB 4.11Å; W14-A40 HydrophobicContact CZ2-CB 3.95Å; W14-M41 HydrophobicContact CE3-CE 4.47Å; W14-M41 HydrophobicContact CH2-CE 3.38Å; W14-M41 HydrophobicContact CH2-CG 3.72Å; W14-M41 HydrophobicContact CH2-SD 4.37Å; W14-M41 HydrophobicContact CZ2-CG 4.21Å; W14-M41 HydrophobicContact CZ3-CE 3.31Å; W14-M41 HydrophobicContact CZ3-CG 4.42Å
15F90.5Very high87Confident1 Ų164.4 Ų64.40%0.00433%0.326CS..Hα-helixtrans-61.8-39175.9-79-68.7000112.2P11 E12 R17 L18 D19 M41 F63 K67 C70 L71P11-F15 WeakPolarHBondContact O-CD2 3.35Å; P11-F15 PolarHBondContact O-N 3.13Å; E12-F15 PolarHBondContact O-N 3.44Å; F15-R17 VanDerWaalsContact C-N 3.3Å; F15-R17 PolarHBondContact O-N 2.94Å; F15-L18 HydrophobicContact CD1-CD1 4.34Å; F15-L18 WeakPolarHBondContact O-CB 3.44Å; F15-L18 PolarHBondContact O-N 3.35Å; F15-L18 VanDerWaalsContact O-N 3.16Å; F15-D19 VanDerWaalsContact O-CG 3.29Å; F15-D19 PolarHBondContact O-N 2.87Å; F15-M41 HydrophobicContact CZ-CE 4.09Å; F15-F63 HydrophobicContact CD1-CE2 4.05Å; F15-F63 AromaticContact CD1-CZ 3.99Å; F15-F63 HydrophobicContact CD1-CZ 3.99Å; F15-F63 HydrophobicContact CE1-CE2 4.03Å; F15-F63 HydrophobicContact CE1-CZ 4.37Å; F15-K67 HydrophobicContact CB-CD 4.25Å; F15-K67 HydrophobicContact CB-CG 4.39Å; F15-K67 HydrophobicContact CD1-CB 4.08Å; F15-K67 HydrophobicContact CD1-CD 4.1Å; F15-K67 HydrophobicContact CD1-CG 3.84Å; F15-K67 HydrophobicContact CD2-CG 4.13Å; F15-K67 HydrophobicContact CE1-CB 3.86Å; F15-K67 HydrophobicContact CE1-CG 4.07Å; F15-K67 HydrophobicContact CE2-CG 4.37Å; F15-K67 HydrophobicContact CG-CD 4.19Å; F15-K67 HydrophobicContact CG-CG 3.87Å; F15-K67 HydrophobicContact CZ-CB 4.18Å; F15-K67 HydrophobicContact CZ-CG 4.35Å; F15-C70 HydrophobicContact CE2-CB 3.52Å; F15-C70 HydrophobicContact CZ-CB 3.6Å; F15-L71 HydrophobicContact CD2-CD2 4.13Å; F15-L71 HydrophobicContact CD2-CG 4.4Å; F15-L71 HydrophobicContact CE2-CD2 4.48Å
16A88.5Confident87Confident47 Ų4766.2 Ų66.239%0.38833%0.327SS..Hα-helixtrans-61.8-38.517500000112.3E12 L13 W14 L20E12-A16 PolarHBondContact O-N 3.2Å; L13-A16 PolarHBondContact O-N 3.14Å; W14-A16 VanDerWaalsContact C-N 3.32Å; W14-A16 PolarHBondContact O-N 2.94Å; A16-L20 WeakPolarHBondContact O-CG 3.3Å; A16-L20 PolarHBondContact O-N 3.38Å
17R89.9Confident87.1Confident115 Ų11566.6 Ų66.643%0.43433%0.331SS..Hα-helixtrans-67.5-37.5173.8-71.4176.568.3-176.40112.1P4 L13 W14 F15 F21P4-R17 HydrophobicContact CB-CB 4.38Å; P4-R17 HydrophobicContact CG-CB 4.37Å; L13-R17 WeakPolarHBondContact O-CG 3.29Å; L13-R17 PolarHBondContact O-N 3.22Å; W14-R17 WeakPolarHBondContact O-CB 3.47Å; W14-R17 PolarHBondContact O-N 3.39Å; W14-R17 VanDerWaalsContact O-N 3.13Å; F15-R17 VanDerWaalsContact C-N 3.3Å; F15-R17 PolarHBondContact O-N 2.94Å; R17-F21 WeakPolarHBondContact O-CB 3.3Å; R17-F21 PolarHBondContact O-N 2.67Å
18L91.1Very high87.3Confident0 Ų070.9 Ų70.90%035%0.349CS..Hα-helixtrans-65.1-46.7174.2-81.1-178.1000112.3V3 P4 W14 F15 L20 F21 F22 A37 F63V3-L18 HydrophobicContact CG1-CD2 3.66Å; P4-L18 HydrophobicContact CG-CD2 4.19Å; W14-L18 HydrophobicContact CD2-CD1 3.88Å; W14-L18 HydrophobicContact CD2-CG 4.27Å; W14-L18 HydrophobicContact CE3-CD1 3.8Å; W14-L18 HydrophobicContact CH2-CD1 3.27Å; W14-L18 HydrophobicContact CH2-CG 4.43Å; W14-L18 HydrophobicContact CZ2-CD1 3.33Å; W14-L18 HydrophobicContact CZ2-CD2 4.43Å; W14-L18 HydrophobicContact CZ2-CG 4.07Å; W14-L18 HydrophobicContact CZ3-CD1 3.49Å; W14-L18 VanDerWaalsContact CZ3-CD1 3.49Å; W14-L18 PolarHBondContact O-N 2.96Å; F15-L18 HydrophobicContact CD1-CD1 4.34Å; F15-L18 WeakPolarHBondContact O-CB 3.44Å; F15-L18 PolarHBondContact O-N 3.35Å; F15-L18 VanDerWaalsContact O-N 3.16Å; L18-L20 PolarHBondContact O-N 3.25Å; L18-F21 CarbonylContact O-C 3.56Å; L18-F21 WeakPolarHBondContact O-CA 3.35Å; L18-F21 WeakPolarHBondContact O-CB 3.32Å; L18-F21 PolarHBondContact O-N 2.68Å; L18-F22 HydrophobicContact CB-CD2 4.47Å; L18-F22 HydrophobicContact CB-CE2 3.95Å; L18-F22 HydrophobicContact CB-CZ 4.33Å; L18-F22 HydrophobicContact CD2-CZ 4.12Å; L18-F22 VanDerWaalsContact O-CD2 3.27Å; L18-F22 WeakPolarHBondContact O-CD2 3.48Å; L18-F22 WeakPolarHBondContact O-CG 3.37Å; L18-F22 PolarHBondContact O-N 3.42Å; L18-A37 HydrophobicContact CD1-CB 4.16Å; L18-F63 HydrophobicContact CD1-CE2 4.29Å
19D90.5Very high88Confident48 Ų4870 Ų7026%0.25734%0.339SS..Hα-helixtrans-57.2-40.1178-70.2-27.7000111.1F15 R23 K67F15-D19 VanDerWaalsContact O-CG 3.29Å; F15-D19 PolarHBondContact O-N 2.87Å; D19-R23 WeakPolarHBondContact O-CB 3.07Å; D19-R23 PolarHBondContact O-N 2.9Å; D19-K67 IonicContact OD1-NZ 3.11Å; D19-K67 IonicContact OD2-NZ 2.73Å; D19-K67 PolarHBondContact OD2-NZ 2.89Å
20L90.8Very high88.7Confident114 Ų11466.8 Ų66.860%0.59732%0.316SS*.Hα-helixtrans-66.8-41173.4-71.9173.5000112.5A16 L18 R23 H24A16-L20 WeakPolarHBondContact O-CG 3.3Å; A16-L20 PolarHBondContact O-N 3.38Å; L18-L20 PolarHBondContact O-N 3.25Å; L20-R23 PolarHBondContact O-N 3.46Å; L20-H24 WeakPolarHBondContact O-CB 3.17Å; L20-H24 PolarHBondContact O-N 2.96Å
21F91.8Very high89.3Confident29 Ų2970.8 Ų70.813%0.12733%0.333CS..Hα-helixtrans-61.7-46.8176.5175.1-92.3000111.5A2 V3 P4 R17 L18 H24 R25A2-F21 WeakPolarHBondContact O-CE2 2.97Å; V3-F21 HydrophobicContact CG2-CE1 4.15Å; V3-F21 HydrophobicContact CG2-CZ 4.1Å; P4-F21 HydrophobicContact CG-CB 4.22Å; P4-F21 HydrophobicContact CG-CG 4.49Å; R17-F21 WeakPolarHBondContact O-CB 3.3Å; R17-F21 PolarHBondContact O-N 2.67Å; L18-F21 CarbonylContact O-C 3.56Å; L18-F21 WeakPolarHBondContact O-CA 3.35Å; L18-F21 WeakPolarHBondContact O-CB 3.32Å; L18-F21 PolarHBondContact O-N 2.68Å; F21-H24 PolarHBondContact O-N 3.44Å; F21-R25 HydrophobicContact CE1-CG 4.3Å; F21-R25 HydrophobicContact CE2-CG 4.32Å; F21-R25 HydrophobicContact CZ-CG 4.15Å; F21-R25 WeakPolarHBondContact O-CB 3.43Å; F21-R25 WeakPolarHBondContact O-CG 3.24Å; F21-R25 PolarHBondContact O-N 3.37Å
22F92.7Very high89.7Confident3 Ų372.8 Ų72.81%0.01335%0.345CS..Hα-helixtrans-62.6-45.7177.4-61.5-39.3000111.7L18 H24 R25 H26 V27 M33 L36 F63L18-F22 HydrophobicContact CB-CD2 4.47Å; L18-F22 HydrophobicContact CB-CE2 3.95Å; L18-F22 HydrophobicContact CB-CZ 4.33Å; L18-F22 HydrophobicContact CD2-CZ 4.12Å; L18-F22 VanDerWaalsContact O-CD2 3.27Å; L18-F22 WeakPolarHBondContact O-CD2 3.48Å; L18-F22 WeakPolarHBondContact O-CG 3.37Å; L18-F22 PolarHBondContact O-N 3.42Å; F22-H24 VanDerWaalsContact C-N 3.34Å; F22-H24 PolarHBondContact O-N 2.77Å; F22-R25 CarbonylContact O-C 3.54Å; F22-R25 PolarHBondContact O-N 2.78Å; F22-R25 VanDerWaalsContact O-N 3.07Å; F22-H26 PolarHBondContact O-N 3.44Å; F22-V27 HydrophobicContact CB-CB 4.3Å; F22-V27 HydrophobicContact CD1-CB 4.17Å; F22-V27 HydrophobicContact CD1-CG1 4.28Å; F22-V27 PolarHBondContact O-N 3.33Å; F22-M33 HydrophobicContact CB-CE 4.05Å; F22-M33 HydrophobicContact CD1-CG 4.09Å; F22-M33 HydrophobicContact CD2-CB 4.26Å; F22-M33 HydrophobicContact CD2-CE 4.29Å; F22-M33 HydrophobicContact CD2-CG 3.7Å; F22-M33 HydrophobicContact CD2-SD 3.84Å; F22-M33 HydrophobicContact CE1-CB 4.32Å; F22-M33 HydrophobicContact CE1-CG 4.18Å; F22-M33 HydrophobicContact CE2-CB 3.81Å; F22-M33 HydrophobicContact CE2-CG 3.78Å; F22-M33 HydrophobicContact CE2-SD 4.22Å; F22-M33 HydrophobicContact CG-CE 4.31Å; F22-M33 HydrophobicContact CG-CG 3.87Å; F22-M33 HydrophobicContact CG-SD 4.33Å; F22-M33 HydrophobicContact CZ-CB 3.85Å; F22-M33 HydrophobicContact CZ-CG 4.03Å; F22-L36 HydrophobicContact CD1-CD1 4.3Å; F22-L36 HydrophobicContact CE1-CB 3.92Å; F22-L36 HydrophobicContact CE1-CD1 3.76Å; F22-L36 HydrophobicContact CZ-CB 4.32Å; F22-F63 HydrophobicContact CD2-CE1 4.48Å; F22-F63 HydrophobicContact CD2-CZ 4.3Å; F22-F63 HydrophobicContact CE2-CD2 4.22Å; F22-F63 HydrophobicContact CE2-CE1 4.1Å; F22-F63 AromaticContact CE2-CE2 3.66Å; F22-F63 HydrophobicContact CE2-CE2 3.66Å; F22-F63 AromaticContact CE2-CZ 3.6Å; F22-F63 HydrophobicContact CE2-CZ 3.6Å; F22-F63 HydrophobicContact CZ-CE2 4.27Å
23R90.3Very high90.1Very high178 Ų17871.6 Ų71.667%0.67234%0.339SS*.Hα-helixtrans-58.8-43.8176.7-176.8178.4-91.7115.9-6.8112.2D19 L20 R25 H26D19-R23 WeakPolarHBondContact O-CB 3.07Å; D19-R23 PolarHBondContact O-N 2.9Å; L20-R23 PolarHBondContact O-N 3.46Å; R23-R25 VanDerWaalsContact C-N 3.3Å; R23-R25 PolarHBondContact O-N 2.91Å; R23-H26 PolarHBondContact O-N 2.94Å
24H90.5Very high90.5Very high127 Ų12768.7 Ų68.759%0.58832%0.324SS*.Hα-helixtrans-68.2-29.6177.3-176-61.7000112.3L20 F21 F22L20-H24 WeakPolarHBondContact O-CB 3.17Å; L20-H24 PolarHBondContact O-N 2.96Å; F21-H24 PolarHBondContact O-N 3.44Å; F22-H24 VanDerWaalsContact C-N 3.34Å; F22-H24 PolarHBondContact O-N 2.77Å
25R89.2Confident90.5Very high104 Ų10475.2 Ų75.239%0.39235%0.354SS..Hα-helixtrans-92.10.5179.7-67.4-58.2-171.793.422.4114M1 F21 F22 R23 V27M1-R25 VanDerWaalsContact N-NH2 3.12Å; M1-R25 PolarHBondContact O-NH2 2.81Å; F21-R25 HydrophobicContact CE1-CG 4.3Å; F21-R25 HydrophobicContact CE2-CG 4.32Å; F21-R25 HydrophobicContact CZ-CG 4.15Å; F21-R25 WeakPolarHBondContact O-CB 3.43Å; F21-R25 WeakPolarHBondContact O-CG 3.24Å; F21-R25 PolarHBondContact O-N 3.37Å; F22-R25 CarbonylContact O-C 3.54Å; F22-R25 PolarHBondContact O-N 2.78Å; F22-R25 VanDerWaalsContact O-N 3.07Å; R23-R25 VanDerWaalsContact C-N 3.3Å; R23-R25 PolarHBondContact O-N 2.91Å; R25-V27 HydrophobicContact CB-CG2 3.91Å; R25-V27 PolarHBondContact O-N 3.04Å
26H88.5Confident90.5Very high144 Ų14477.2 Ų77.267%0.66737%0.365SS*.THydrogen-bonded Turntrans54.229.8-173.7-53.2-71.2000113.1F22 R23 H28F22-H26 PolarHBondContact O-N 3.44Å; R23-H26 PolarHBondContact O-N 2.94Å; H26-H28 VanDerWaalsContact C-ND1 3.3Å; H26-H28 VanDerWaalsContact CA-CE1 3.49Å; H26-H28 WeakPolarHBondContact CA-CE1 3.2Å; H26-H28 PolarHBondContact O-CE1 3.27Å; H26-H28 PolarHBondContact O-N 3.33Å; H26-H28 PolarHBondContact O-ND1 2.79Å
27V89.2Confident90.7Very high28 Ų2875 Ų7517%0.1735%0.346CS..  trans-80.7112.9169.6-178.80000106F22 R25 T32 M33F22-V27 HydrophobicContact CB-CB 4.3Å; F22-V27 HydrophobicContact CD1-CB 4.17Å; F22-V27 HydrophobicContact CD1-CG1 4.28Å; F22-V27 PolarHBondContact O-N 3.33Å; R25-V27 HydrophobicContact CB-CG2 3.91Å; R25-V27 PolarHBondContact O-N 3.04Å; V27-T32 HydrophobicContact CG1-CG2 3.73Å; V27-M33 HydrophobicContact CG1-CG 3.88Å; V27-M33 WeakPolarHBondContact O-CE 3.23Å
28H88.6Confident90.7Very high139 Ų13971.3 Ų71.364%0.64434%0.335SS*.  trans-118.8-7.2178.1-57.387.7000111.9H26H26-H28 VanDerWaalsContact C-ND1 3.3Å; H26-H28 VanDerWaalsContact CA-CE1 3.49Å; H26-H28 WeakPolarHBondContact CA-CE1 3.2Å; H26-H28 PolarHBondContact O-CE1 3.27Å; H26-H28 PolarHBondContact O-N 3.33Å; H26-H28 PolarHBondContact O-ND1 2.79Å
29D91.1Very high90.6Very high79 Ų7975.3 Ų75.342%0.42236%0.363SS..  trans-81119.3-179.5178.663.5000109.9E31 T32 M33D29-E31 VanDerWaalsContact C-N 3.29Å; D29-E31 PolarHBondContact O-N 2.76Å; D29-E31 WeakPolarHBondContact OD2-CB 3.12Å; D29-T32 PolarHBondContact O-N 3.24Å; D29-T32 WeakPolarHBondContact OD2-CB 3.31Å; D29-T32 PolarHBondContact OD2-N 3.46Å; D29-T32 PolarHBondContact OD2-OG1 2.76Å; D29-M33 WeakPolarHBondContact O-CG 3.49Å; D29-M33 PolarHBondContact O-N 3.02Å
30E91.4Very high90.7Very high50 Ų5074 Ų7423%0.23436%0.359CS..Hα-helixtrans-63.7-34-175.7-77.2-85.6155.500112M33 F34 A61 P62 F63 T64E30-M33 PolarHBondContact O-N 2.88Å; E30-F34 VanDerWaalsContact O-CB 3.25Å; E30-F34 WeakPolarHBondContact O-CB 3.49Å; E30-F34 PolarHBondContact O-N 2.76Å; E30-A61 HydrophobicContact CG-CB 4.18Å; E30-P62 HydrophobicContact CB-CG 4.3Å; E30-F63 WeakPolarHBondContact OE2-CB 3.46Å; E30-F63 PolarHBondContact OE2-N 3.17Å; E30-T64 PolarHBondContact OE1-OG1 3.03Å; E30-T64 PolarHBondContact OE2-N 3.22Å; E30-T64 PolarHBondContact OE2-OG1 3.47Å
31E90.2Very high90.6Very high135 Ų13569.1 Ų69.163%0.63133%0.333SS*.Hα-helixtrans-64.5-49.3176.2-64.1-178.5-178.900110.4D29 M33 F34 E35 P62D29-E31 VanDerWaalsContact C-N 3.29Å; D29-E31 PolarHBondContact O-N 2.76Å; D29-E31 WeakPolarHBondContact OD2-CB 3.12Å; E31-M33 VanDerWaalsContact C-N 3.33Å; E31-M33 PolarHBondContact O-N 3.2Å; E31-F34 WeakPolarHBondContact O-CB 3.42Å; E31-F34 PolarHBondContact O-N 2.85Å; E31-F34 VanDerWaalsContact O-N 3.15Å; E31-E35 PolarHBondContact O-N 3.32Å; E31-P62 HydrophobicContact CG-CG 4.48Å
32T90.8Very high90.5Very high54 Ų5470.3 Ų70.333%0.33134%0.343SS..Hα-helixtrans-61.3-41175.6-54.80000111.8V27 D29 F34 L36V27-T32 HydrophobicContact CG1-CG2 3.73Å; D29-T32 PolarHBondContact O-N 3.24Å; D29-T32 WeakPolarHBondContact OD2-CB 3.31Å; D29-T32 PolarHBondContact OD2-N 3.46Å; D29-T32 PolarHBondContact OD2-OG1 2.76Å; T32-F34 VanDerWaalsContact C-N 3.32Å; T32-F34 PolarHBondContact O-N 2.9Å; T32-L36 HydrophobicContact CG2-CD1 3.97Å; T32-L36 HydrophobicContact CG2-CG 4.42Å; T32-L36 WeakPolarHBondContact O-CB 3.29Å; T32-L36 WeakPolarHBondContact O-CG 3.24Å; T32-L36 PolarHBondContact O-N 3.47Å
33M92.1Very high90.2Very high23 Ų2378.1 Ų78.111%0.11338%0.38CS..Hα-helixtrans-61.6-42.3175.2-71.3-177.6-17300111.6F22 V27 D29 E30 E31 L36 A37 F63F22-M33 HydrophobicContact CB-CE 4.05Å; F22-M33 HydrophobicContact CD1-CG 4.09Å; F22-M33 HydrophobicContact CD2-CB 4.26Å; F22-M33 HydrophobicContact CD2-CE 4.29Å; F22-M33 HydrophobicContact CD2-CG 3.7Å; F22-M33 HydrophobicContact CD2-SD 3.84Å; F22-M33 HydrophobicContact CE1-CB 4.32Å; F22-M33 HydrophobicContact CE1-CG 4.18Å; F22-M33 HydrophobicContact CE2-CB 3.81Å; F22-M33 HydrophobicContact CE2-CG 3.78Å; F22-M33 HydrophobicContact CE2-SD 4.22Å; F22-M33 HydrophobicContact CG-CE 4.31Å; F22-M33 HydrophobicContact CG-CG 3.87Å; F22-M33 HydrophobicContact CG-SD 4.33Å; F22-M33 HydrophobicContact CZ-CB 3.85Å; F22-M33 HydrophobicContact CZ-CG 4.03Å; V27-M33 HydrophobicContact CG1-CG 3.88Å; V27-M33 WeakPolarHBondContact O-CE 3.23Å; D29-M33 WeakPolarHBondContact O-CG 3.49Å; D29-M33 PolarHBondContact O-N 3.02Å; E30-M33 PolarHBondContact O-N 2.88Å; E31-M33 VanDerWaalsContact C-N 3.33Å; E31-M33 PolarHBondContact O-N 3.2Å; M33-L36 PolarHBondContact O-N 2.82Å; M33-A37 VanDerWaalsContact O-CB 3.3Å; M33-A37 WeakPolarHBondContact O-CB 3.23Å; M33-A37 PolarHBondContact O-N 3.27Å; M33-F63 HydrophobicContact CB-CB 3.72Å; M33-F63 HydrophobicContact CB-CD1 4.12Å; M33-F63 HydrophobicContact CB-CD2 4Å; M33-F63 HydrophobicContact CB-CG 3.67Å; M33-F63 HydrophobicContact SD-CD1 3.82Å; M33-F63 HydrophobicContact SD-CE1 4.26Å; M33-F63 HydrophobicContact SD-CG 4.32Å
34F91.6Very high90.1Very high25 Ų2576.5 Ų76.511%0.1138%0.38CS..Hα-helixtrans-63.7-49.4178.9176.3-108000111.1E30 E31 T32 L36 A37 L38 F52 A56 P62 F63 L66E30-F34 VanDerWaalsContact O-CB 3.25Å; E30-F34 WeakPolarHBondContact O-CB 3.49Å; E30-F34 PolarHBondContact O-N 2.76Å; E31-F34 WeakPolarHBondContact O-CB 3.42Å; E31-F34 PolarHBondContact O-N 2.85Å; E31-F34 VanDerWaalsContact O-N 3.15Å; T32-F34 VanDerWaalsContact C-N 3.32Å; T32-F34 PolarHBondContact O-N 2.9Å; F34-L36 VanDerWaalsContact C-N 3.35Å; F34-L36 PolarHBondContact O-N 3.12Å; F34-A37 PolarHBondContact O-N 2.73Å; F34-L38 HydrophobicContact CD1-CD1 4Å; F34-L38 HydrophobicContact CD2-CG 4.47Å; F34-L38 HydrophobicContact CE1-CD1 3.42Å; F34-L38 VanDerWaalsContact CE1-CD1 3.42Å; F34-L38 HydrophobicContact CE1-CG 4.21Å; F34-L38 HydrophobicContact CE2-CD1 4.13Å; F34-L38 HydrophobicContact CE2-CD2 4.15Å; F34-L38 HydrophobicContact CE2-CG 4.12Å; F34-L38 HydrophobicContact CZ-CD1 3.5Å; F34-L38 VanDerWaalsContact CZ-CD1 3.5Å; F34-L38 HydrophobicContact CZ-CD2 4.17Å; F34-L38 HydrophobicContact CZ-CG 4Å; F34-L38 WeakPolarHBondContact O-CG 3.32Å; F34-L38 PolarHBondContact O-N 3.03Å; F34-F52 HydrophobicContact CE2-CE1 4.01Å; F34-A56 HydrophobicContact CE1-CB 4.02Å; F34-A56 HydrophobicContact CE2-CB 4.14Å; F34-A56 HydrophobicContact CZ-CB 3.48Å; F34-A56 VanDerWaalsContact CZ-CB 3.48Å; F34-P62 HydrophobicContact CB-CB 4.01Å; F34-P62 HydrophobicContact CB-CG 4.04Å; F34-P62 HydrophobicContact CD1-CB 4.22Å; F34-P62 HydrophobicContact CD2-CB 3.98Å; F34-P62 HydrophobicContact CG-CB 3.81Å; F34-P62 HydrophobicContact CG-CG 4.34Å; F34-F63 HydrophobicContact CB-CB 4.17Å; F34-L66 HydrophobicContact CD2-CB 4.09Å; F34-L66 HydrophobicContact CD2-CD2 3.83Å; F34-L66 HydrophobicContact CD2-CG 4.46Å; F34-L66 HydrophobicContact CE2-CB 4.14Å; F34-L66 HydrophobicContact CE2-CD1 4.26Å; F34-L66 HydrophobicContact CE2-CD2 3.97Å; F34-L66 HydrophobicContact CE2-CG 4.35Å
35E90.6Very high89.9Confident136 Ų13671.2 Ų71.264%0.63636%0.356SS*.Hα-helixtrans-58.5-45.5176.3-72.1-171.6166.400112.2E31 A37 L38 S39E31-E35 PolarHBondContact O-N 3.32Å; E35-A37 VanDerWaalsContact C-N 3.33Å; E35-A37 PolarHBondContact O-N 2.82Å; E35-L38 PolarHBondContact O-N 3.47Å; E35-S39 WeakPolarHBondContact O-CB 3.48Å; E35-S39 PolarHBondContact O-N 3.16Å
36L91.5Very high89.8Confident44 Ų4468.4 Ų68.423%0.2335%0.349CS..Hα-helixtrans-63.8-39.6177.7-71.8172000111.7V3 F22 T32 M33 F34 S39 A40V3-L36 HydrophobicContact CG2-CD2 3.9Å; F22-L36 HydrophobicContact CD1-CD1 4.3Å; F22-L36 HydrophobicContact CE1-CB 3.92Å; F22-L36 HydrophobicContact CE1-CD1 3.76Å; F22-L36 HydrophobicContact CZ-CB 4.32Å; T32-L36 HydrophobicContact CG2-CD1 3.97Å; T32-L36 HydrophobicContact CG2-CG 4.42Å; T32-L36 WeakPolarHBondContact O-CB 3.29Å; T32-L36 WeakPolarHBondContact O-CG 3.24Å; T32-L36 PolarHBondContact O-N 3.47Å; M33-L36 PolarHBondContact O-N 2.82Å; F34-L36 VanDerWaalsContact C-N 3.35Å; F34-L36 PolarHBondContact O-N 3.12Å; L36-S39 PolarHBondContact O-N 3.36Å; L36-S39 PolarHBondContact O-OG 3.41Å; L36-A40 PolarHBondContact O-N 3.3Å
37A91.7Very high89.8Confident0 Ų063.9 Ų63.90%034%0.342CS..Hα-helixtrans-64-46.7176.200000111.4W14 L18 M33 F34 E35 S39 A40 M41 F63 L66W14-A37 HydrophobicContact CH2-CB 4.11Å; L18-A37 HydrophobicContact CD1-CB 4.16Å; M33-A37 VanDerWaalsContact O-CB 3.3Å; M33-A37 WeakPolarHBondContact O-CB 3.23Å; M33-A37 PolarHBondContact O-N 3.27Å; F34-A37 PolarHBondContact O-N 2.73Å; E35-A37 VanDerWaalsContact C-N 3.33Å; E35-A37 PolarHBondContact O-N 2.82Å; A37-S39 VanDerWaalsContact C-N 3.31Å; A37-S39 PolarHBondContact O-N 2.68Å; A37-A40 PolarHBondContact O-N 3.11Å; A37-A40 VanDerWaalsContact O-N 3.17Å; A37-M41 WeakPolarHBondContact O-CG 3.47Å; A37-M41 PolarHBondContact O-N 2.82Å; A37-F63 HydrophobicContact CB-CD2 3.97Å; A37-F63 HydrophobicContact CB-CE2 4.02Å; A37-L66 HydrophobicContact CB-CD2 3.96Å
38L90.4Very high89.6Confident37 Ų3766.3 Ų66.319%0.19436%0.357CS..Hα-helixtrans-59.9-41.5176.3-68.8-177.7000111.8F34 E35 A40 M41 L46 I53 L66F34-L38 HydrophobicContact CD1-CD1 4Å; F34-L38 HydrophobicContact CD2-CG 4.47Å; F34-L38 HydrophobicContact CE1-CD1 3.42Å; F34-L38 VanDerWaalsContact CE1-CD1 3.42Å; F34-L38 HydrophobicContact CE1-CG 4.21Å; F34-L38 HydrophobicContact CE2-CD1 4.13Å; F34-L38 HydrophobicContact CE2-CD2 4.15Å; F34-L38 HydrophobicContact CE2-CG 4.12Å; F34-L38 HydrophobicContact CZ-CD1 3.5Å; F34-L38 VanDerWaalsContact CZ-CD1 3.5Å; F34-L38 HydrophobicContact CZ-CD2 4.17Å; F34-L38 HydrophobicContact CZ-CG 4Å; F34-L38 WeakPolarHBondContact O-CG 3.32Å; F34-L38 PolarHBondContact O-N 3.03Å; E35-L38 PolarHBondContact O-N 3.47Å; L38-A40 PolarHBondContact O-N 2.85Å; L38-M41 PolarHBondContact O-N 3.48Å; L38-L46 HydrophobicContact CD2-CD2 3.56Å; L38-I53 HydrophobicContact CD2-CD1 4.14Å; L38-I53 HydrophobicContact CD2-CG1 4.17Å; L38-L66 HydrophobicContact CD2-CD2 4.45Å
39S89.9Confident89.6Confident85 Ų8559.7 Ų59.759%0.59433%0.326SS*.Hα-helixtrans-63.6-21.8179.578.20000114E35 L36 A37E35-S39 WeakPolarHBondContact O-CB 3.48Å; E35-S39 PolarHBondContact O-N 3.16Å; L36-S39 PolarHBondContact O-N 3.36Å; L36-S39 PolarHBondContact O-OG 3.41Å; A37-S39 VanDerWaalsContact C-N 3.31Å; A37-S39 PolarHBondContact O-N 2.68Å
40A91.2Very high89.5Confident20 Ų2063.8 Ų63.817%0.16534%0.335CS..Hα-helixtrans-98.8-9.9-178.800000113.8V3 F6 W14 L36 A37 L38V3-A40 HydrophobicContact CB-CB 4.23Å; V3-A40 HydrophobicContact CG1-CB 3.54Å; F6-A40 VanDerWaalsContact CB-O 3.31Å; F6-A40 WeakPolarHBondContact CB-O 3.37Å; F6-A40 PolarHBondContact N-O 3.12Å; W14-A40 HydrophobicContact CZ2-CB 3.95Å; L36-A40 PolarHBondContact O-N 3.3Å; A37-A40 PolarHBondContact O-N 3.11Å; A37-A40 VanDerWaalsContact O-N 3.17Å; L38-A40 PolarHBondContact O-N 2.85Å
41M89.6Confident89.3Confident12 Ų1265.4 Ų65.46%0.05935%0.346CS..SBendtrans-87.4139.1176.8-72.2-179-179.600111.2F6 W14 F15 A37 L38 T45 L46 L49 L66F6-M41 HydrophobicContact CD2-CG 3.89Å; F6-M41 HydrophobicContact CE2-CE 4.33Å; F6-M41 HydrophobicContact CE2-CG 4.35Å; F6-M41 HydrophobicContact CG-CG 4.29Å; W14-M41 HydrophobicContact CE3-CE 4.47Å; W14-M41 HydrophobicContact CH2-CE 3.38Å; W14-M41 HydrophobicContact CH2-CG 3.72Å; W14-M41 HydrophobicContact CH2-SD 4.37Å; W14-M41 HydrophobicContact CZ2-CG 4.21Å; W14-M41 HydrophobicContact CZ3-CE 3.31Å; W14-M41 HydrophobicContact CZ3-CG 4.42Å; F15-M41 HydrophobicContact CZ-CE 4.09Å; A37-M41 WeakPolarHBondContact O-CG 3.47Å; A37-M41 PolarHBondContact O-N 2.82Å; L38-M41 PolarHBondContact O-N 3.48Å; M41-T45 HydrophobicContact SD-CG2 4.35Å; M41-L46 HydrophobicContact CB-CD2 3.79Å; M41-L46 HydrophobicContact CB-CG 4.1Å; M41-L46 HydrophobicContact SD-CD2 3.96Å; M41-L49 HydrophobicContact CE-CD1 4.48Å; M41-L49 HydrophobicContact SD-CD1 4.04Å; M41-L66 HydrophobicContact CE-CD2 3.93Å; M41-L66 HydrophobicContact CE-CG 4.32Å
42P89.2Confident89.3Confident53 Ų5359.5 Ų59.534%0.34432%0.318SS..  trans-74.8154.6175.334.7-37.1000110.8F6 E44 T45 L46F6-P42 HydrophobicContact CD1-CG 4.04Å; P42-E44 WeakPolarHBondContact CB-OE2 3.37Å; P42-E44 PolarHBondContact O-N 3.43Å; P42-E44 VanDerWaalsContact O-N 3.14Å; P42-T45 WeakPolarHBondContact CG-OG1 3.13Å; P42-T45 WeakPolarHBondContact O-CB 3.26Å; P42-T45 PolarHBondContact O-N 3.45Å; P42-L46 PolarHBondContact O-N 2.87Å; P42-L46 VanDerWaalsContact O-N 3.15Å
43E87.7Confident89.2Confident167 Ų16759.4 Ų59.478%0.7832%0.315SS*.Hα-helixtrans-57.9-31.7-173.3-70.4-173.8-177.900113T45 L46 G47E43-T45 VanDerWaalsContact C-N 3.3Å; E43-T45 PolarHBondContact O-N 3.15Å; E43-L46 PolarHBondContact O-N 3.44Å; E43-G47 PolarHBondContact O-N 3.31Å
44E86.8Confident89.1Confident145 Ų14563.5 Ų63.568%0.67834%0.337SS*.Hα-helixtrans-64.1-37.4177.3-57.584.3175.600111.8P42 T48P42-E44 WeakPolarHBondContact CB-OE2 3.37Å; P42-E44 PolarHBondContact O-N 3.43Å; P42-E44 VanDerWaalsContact O-N 3.14Å; E44-T48 PolarHBondContact O-N 2.73Å; E44-T48 PolarHBondContact O-OG1 2.81Å; E44-T48 VanDerWaalsContact O-OG1 3.08Å
45T85.9Confident89Confident15 Ų1565 Ų659%0.09235%0.348CS..Hα-helixtrans-73-41.9176.9-55.70000110.3F6 M41 P42 E43 G47 T48 L49F6-T45 HydrophobicContact CD1-CG2 4.48Å; F6-T45 HydrophobicContact CE1-CG2 3.73Å; F6-T45 WeakPolarHBondContact CE1-OG1 3.38Å; F6-T45 HydrophobicContact CE2-CG2 4.35Å; F6-T45 HydrophobicContact CZ-CG2 3.67Å; M41-T45 HydrophobicContact SD-CG2 4.35Å; P42-T45 WeakPolarHBondContact CG-OG1 3.13Å; P42-T45 WeakPolarHBondContact O-CB 3.26Å; P42-T45 PolarHBondContact O-N 3.45Å; E43-T45 VanDerWaalsContact C-N 3.3Å; E43-T45 PolarHBondContact O-N 3.15Å; T45-G47 VanDerWaalsContact C-N 3.28Å; T45-G47 PolarHBondContact O-N 2.85Å; T45-T48 WeakPolarHBondContact O-CB 3.45Å; T45-T48 PolarHBondContact O-N 2.78Å; T45-T48 VanDerWaalsContact O-N 3.1Å; T45-L49 HydrophobicContact CG2-CD1 4.09Å; T45-L49 WeakPolarHBondContact O-CG 3.42Å; T45-L49 PolarHBondContact O-N 3.14Å
46L88.2Confident88.8Confident45 Ų4558.8 Ų58.824%0.23632%0.32CS..Hα-helixtrans-60.7-38.5174.9-62.4179.7000111.8L38 M41 P42 E43 T48 L49 R50 I53L38-L46 HydrophobicContact CD2-CD2 3.56Å; M41-L46 HydrophobicContact CB-CD2 3.79Å; M41-L46 HydrophobicContact CB-CG 4.1Å; M41-L46 HydrophobicContact SD-CD2 3.96Å; P42-L46 PolarHBondContact O-N 2.87Å; P42-L46 VanDerWaalsContact O-N 3.15Å; E43-L46 PolarHBondContact O-N 3.44Å; L46-T48 VanDerWaalsContact C-N 3.28Å; L46-T48 PolarHBondContact O-N 2.87Å; L46-L49 CarbonylContact O-C 3.4Å; L46-L49 PolarHBondContact O-N 3.09Å; L46-L49 VanDerWaalsContact O-N 3.09Å; L46-R50 PolarHBondContact O-N 2.97Å; L46-I53 HydrophobicContact CB-CD1 4.03Å; L46-I53 HydrophobicContact CD2-CD1 3.76Å; L46-I53 WeakPolarHBondContact O-CD1 3.37Å
47G87.9Confident88.4Confident50 Ų5063 Ų6352%0.51534%0.343SS..Hα-helixtrans-59.4-37174.100000113.2E43 T45 L49 R50E43-G47 PolarHBondContact O-N 3.31Å; T45-G47 VanDerWaalsContact C-N 3.28Å; T45-G47 PolarHBondContact O-N 2.85Å; G47-L49 VanDerWaalsContact C-N 3.29Å; G47-L49 PolarHBondContact O-N 3.46Å; G47-R50 VanDerWaalsContact O-CB 3.32Å; G47-R50 WeakPolarHBondContact O-CB 3.38Å; G47-R50 PolarHBondContact O-N 3.07Å
48T85.8Confident88.2Confident78 Ų7870.1 Ų70.148%0.47938%0.376SS..Hα-helixtrans-71.2-25.4176.4-52.90000112.6E44 T45 L46 R73E44-T48 PolarHBondContact O-N 2.73Å; E44-T48 PolarHBondContact O-OG1 2.81Å; E44-T48 VanDerWaalsContact O-OG1 3.08Å; T45-T48 WeakPolarHBondContact O-CB 3.45Å; T45-T48 PolarHBondContact O-N 2.78Å; T45-T48 VanDerWaalsContact O-N 3.1Å; L46-T48 VanDerWaalsContact C-N 3.28Å; L46-T48 PolarHBondContact O-N 2.87Å; T48-R73 PolarHBondContact O-NH1 3.12Å
49L87.3Confident88Confident0 Ų072.4 Ų72.40%039%0.386CS..THydrogen-bonded Turntrans-102.410.6-179.4-60168.2000112.8M41 T45 L46 G47 D51 F52 I53 L66 V69 C70M41-L49 HydrophobicContact CE-CD1 4.48Å; M41-L49 HydrophobicContact SD-CD1 4.04Å; T45-L49 HydrophobicContact CG2-CD1 4.09Å; T45-L49 WeakPolarHBondContact O-CG 3.42Å; T45-L49 PolarHBondContact O-N 3.14Å; L46-L49 CarbonylContact O-C 3.4Å; L46-L49 PolarHBondContact O-N 3.09Å; L46-L49 VanDerWaalsContact O-N 3.09Å; G47-L49 VanDerWaalsContact C-N 3.29Å; G47-L49 PolarHBondContact O-N 3.46Å; L49-D51 VanDerWaalsContact C-N 3.34Å; L49-D51 PolarHBondContact O-N 3.38Å; L49-F52 WeakPolarHBondContact O-CB 3.44Å; L49-F52 PolarHBondContact O-N 3.22Å; L49-I53 HydrophobicContact CB-CD1 3.98Å; L49-I53 HydrophobicContact CB-CG1 4.29Å; L49-I53 WeakPolarHBondContact O-CG1 3.31Å; L49-I53 PolarHBondContact O-N 3.05Å; L49-L66 HydrophobicContact CD1-CD1 4.14Å; L49-V69 HydrophobicContact CD2-CG1 4Å; L49-C70 WeakPolarHBondContact CD1-SG 3.43Å
50R88.9Confident87.9Confident165 Ų16575.3 Ų75.362%0.62340%0.4SS*.Hα-helixtrans-55-44.5-169179.3179.7-178.2-84.3-2.7113.7L46 G47 F52 I53 L54L46-R50 PolarHBondContact O-N 2.97Å; G47-R50 VanDerWaalsContact O-CB 3.32Å; G47-R50 WeakPolarHBondContact O-CB 3.38Å; G47-R50 PolarHBondContact O-N 3.07Å; R50-F52 VanDerWaalsContact C-N 3.34Å; R50-I53 PolarHBondContact O-N 3.35Å; R50-L54 HydrophobicContact CG-CD1 4.03Å; R50-L54 HydrophobicContact CG-CG 4.44Å; R50-L54 WeakPolarHBondContact O-CB 3.19Å; R50-L54 WeakPolarHBondContact O-CG 3.47Å; R50-L54 PolarHBondContact O-N 3.42Å
51D88.6Confident87.9Confident84 Ų8476 Ų7645%0.44941%0.405SS..Hα-helixtrans-63.5-37.5178.962.3-34.5000112.8L49 T55 R73L49-D51 VanDerWaalsContact C-N 3.34Å; L49-D51 PolarHBondContact O-N 3.38Å; D51-T55 PolarHBondContact O-OG1 3.31Å; D51-R73 VanDerWaalsContact CG-NH2 3.29Å; D51-R73 IonicContact OD1-CZ 2.92Å; D51-R73 IonicContact OD1-NH1 3.89Å; D51-R73 PolarHBondContact OD1-NH1 3.26Å; D51-R73 IonicContact OD1-NH2 3.8Å; D51-R73 PolarHBondContact OD1-NH2 3.38Å; D51-R73 IonicContact OD2-CZ 3.19Å; D51-R73 IonicContact OD2-NH1 3.33Å; D51-R73 IonicContact OD2-NH2 2.64Å; D51-R73 PolarHBondContact OD2-NH2 3.1Å
52F90Very high87.9Confident12 Ų1276 Ų765%0.05341%0.406CS..Hα-helixtrans-69.3-46.8172.2176.6-97.9000111.3F34 L49 R50 L54 T55 A56 Q59 A65 L66 V69F34-F52 HydrophobicContact CE2-CE1 4.01Å; L49-F52 WeakPolarHBondContact O-CB 3.44Å; L49-F52 PolarHBondContact O-N 3.22Å; R50-F52 VanDerWaalsContact C-N 3.34Å; F52-L54 PolarHBondContact O-N 3Å; F52-T55 CarbonylContact O-C 3.41Å; F52-T55 PolarHBondContact O-N 3.18Å; F52-T55 PolarHBondContact O-OG1 3.25Å; F52-A56 HydrophobicContact CE1-CB 4.27Å; F52-A56 PolarHBondContact O-N 3.06Å; F52-Q59 HydrophobicContact CE2-CG 4.1Å; F52-Q59 HydrophobicContact CZ-CG 4.31Å; F52-A65 HydrophobicContact CE2-CB 3.73Å; F52-A65 HydrophobicContact CZ-CB 3.62Å; F52-L66 HydrophobicContact CD1-CD1 3.77Å; F52-L66 VanDerWaalsContact CE1-CA 3.47Å; F52-L66 HydrophobicContact CE1-CB 3.65Å; F52-L66 HydrophobicContact CE1-CD1 3.71Å; F52-L66 HydrophobicContact CE1-CG 4.3Å; F52-L66 HydrophobicContact CZ-CB 4.18Å; F52-L66 VanDerWaalsContact CZ-N 3.3Å; F52-V69 HydrophobicContact CB-CG1 4.18Å; F52-V69 HydrophobicContact CD2-CB 4.41Å; F52-V69 HydrophobicContact CD2-CG2 3.73Å; F52-V69 HydrophobicContact CE2-CG2 4.11Å; F52-V69 HydrophobicContact CG-CB 4.41Å; F52-V69 HydrophobicContact CG-CG1 4.36Å; F52-V69 HydrophobicContact CG-CG2 4.21Å
53I88.8Confident88Confident52 Ų5273.7 Ų73.727%0.26739%0.391SS..Hα-helixtrans-59-37.7-179.1-65.6165.2000111.2L38 L46 L49 R50 T55 A56L38-I53 HydrophobicContact CD2-CD1 4.14Å; L38-I53 HydrophobicContact CD2-CG1 4.17Å; L46-I53 HydrophobicContact CB-CD1 4.03Å; L46-I53 HydrophobicContact CD2-CD1 3.76Å; L46-I53 WeakPolarHBondContact O-CD1 3.37Å; L49-I53 HydrophobicContact CB-CD1 3.98Å; L49-I53 HydrophobicContact CB-CG1 4.29Å; L49-I53 WeakPolarHBondContact O-CG1 3.31Å; L49-I53 PolarHBondContact O-N 3.05Å; R50-I53 PolarHBondContact O-N 3.35Å; I53-T55 PolarHBondContact O-N 3.47Å; I53-A56 WeakPolarHBondContact O-CB 3.25Å; I53-A56 PolarHBondContact O-N 3.13Å
54L89.3Confident88.2Confident108 Ų10869.4 Ų69.457%0.56538%0.376SS*.THydrogen-bonded Turntrans-71.4-13.8177.3-70174.1000114.5R50 F52R50-L54 HydrophobicContact CG-CD1 4.03Å; R50-L54 HydrophobicContact CG-CG 4.44Å; R50-L54 WeakPolarHBondContact O-CB 3.19Å; R50-L54 WeakPolarHBondContact O-CG 3.47Å; R50-L54 PolarHBondContact O-N 3.42Å; F52-L54 PolarHBondContact O-N 3Å
55T89.1Confident88.4Confident58 Ų5863.5 Ų63.536%0.35635%0.352SS..THydrogen-bonded Turntrans-118.98.4179.3550000112.3D51 F52 I53 D57 Q58D51-T55 PolarHBondContact O-OG1 3.31Å; F52-T55 CarbonylContact O-C 3.41Å; F52-T55 PolarHBondContact O-N 3.18Å; F52-T55 PolarHBondContact O-OG1 3.25Å; I53-T55 PolarHBondContact O-N 3.47Å; T55-D57 VanDerWaalsContact C-N 3.27Å; T55-D57 PolarHBondContact O-N 3.37Å; T55-Q58 PolarHBondContact O-N 3.06Å
56A86.3Confident88.6Confident5 Ų562.8 Ų62.84%0.04135%0.348CS..G310 helixtrans-69.4-26.4-174.900000112.6F34 F52 I53 Q58 Q59F34-A56 HydrophobicContact CE1-CB 4.02Å; F34-A56 HydrophobicContact CE2-CB 4.14Å; F34-A56 HydrophobicContact CZ-CB 3.48Å; F34-A56 VanDerWaalsContact CZ-CB 3.48Å; F52-A56 HydrophobicContact CE1-CB 4.27Å; F52-A56 PolarHBondContact O-N 3.06Å; I53-A56 WeakPolarHBondContact O-CB 3.25Å; I53-A56 PolarHBondContact O-N 3.13Å; A56-Q58 PolarHBondContact O-N 2.72Å; A56-Q59 WeakPolarHBondContact O-CB 3.24Å; A56-Q59 PolarHBondContact O-N 3.46Å; A56-Q59 VanDerWaalsContact O-N 3.12Å
57D83.9Confident88.7Confident133 Ų13363.4 Ų63.471%0.71135%0.349SS*.G310 helixtrans-63-21.9176.166-29.5000113.5T55T55-D57 VanDerWaalsContact C-N 3.27Å; T55-D57 PolarHBondContact O-N 3.37Å
58Q87.1Confident88.7Confident149 Ų14964 Ų6470%0.69635%0.348SS*.G310 helixtrans-88.2-6.8178-64.6170.128.800113T55 A56T55-Q58 PolarHBondContact O-N 3.06Å; A56-Q58 PolarHBondContact O-N 2.72Å
59Q87.3Confident88.9Confident85 Ų8561.8 Ų61.840%0.39733%0.334SS..  trans-85.5134.1-177.3-59.6-60.8-35.900111.1F52 A56 A61 P62 A65F52-Q59 HydrophobicContact CE2-CG 4.1Å; F52-Q59 HydrophobicContact CZ-CG 4.31Å; A56-Q59 WeakPolarHBondContact O-CB 3.24Å; A56-Q59 PolarHBondContact O-N 3.46Å; A56-Q59 VanDerWaalsContact O-N 3.12Å; Q59-A61 VanDerWaalsContact C-N 3.26Å; Q59-A61 PolarHBondContact O-N 3.22Å; Q59-P62 HydrophobicContact CB-CB 4.45Å; Q59-A65 HydrophobicContact CB-CB 4.38Å; Q59-A65 HydrophobicContact CG-CB 4.11Å
60T86.8Confident88.9Confident146 Ų14661.8 Ų61.890%0.89633%0.334SS*.SBendtrans-69-26.7174.6-460000112.6
61A90.7Very high88.6Confident33 Ų3355.8 Ų55.827%0.27332%0.315SS..SBendtrans-137.178.7179.400000109.1E30 Q59 F63 T64 A65E30-A61 HydrophobicContact CG-CB 4.18Å; Q59-A61 VanDerWaalsContact C-N 3.26Å; Q59-A61 PolarHBondContact O-N 3.22Å; A61-F63 VanDerWaalsContact C-N 3.33Å; A61-F63 PolarHBondContact O-N 2.99Å; A61-T64 PolarHBondContact O-N 3.26Å; A61-A65 WeakPolarHBondContact O-CB 3.49Å; A61-A65 PolarHBondContact O-N 3.49Å
62P90.7Very high88.3Confident12 Ų1257.1 Ų57.18%0.07832%0.322CS..Hα-helixtrans-61.6-36-169.923.1-35.6000113.3E30 E31 F34 Q59 L66E30-P62 HydrophobicContact CB-CG 4.3Å; E31-P62 HydrophobicContact CG-CG 4.48Å; F34-P62 HydrophobicContact CB-CB 4.01Å; F34-P62 HydrophobicContact CB-CG 4.04Å; F34-P62 HydrophobicContact CD1-CB 4.22Å; F34-P62 HydrophobicContact CD2-CB 3.98Å; F34-P62 HydrophobicContact CG-CB 3.81Å; F34-P62 HydrophobicContact CG-CG 4.34Å; Q59-P62 HydrophobicContact CB-CB 4.45Å; P62-L66 VanDerWaalsContact O-CB 3.25Å; P62-L66 WeakPolarHBondContact O-CB 3.21Å; P62-L66 PolarHBondContact O-N 3.05Å
63F90.9Very high87.9Confident6 Ų660.6 Ų60.63%0.02633%0.334CS..Hα-helixtrans-71.7-43.7177.8171.3-99.8000111.8F15 L18 F22 E30 M33 F34 A37 A61 A65 L66 K67F15-F63 HydrophobicContact CD1-CE2 4.05Å; F15-F63 AromaticContact CD1-CZ 3.99Å; F15-F63 HydrophobicContact CD1-CZ 3.99Å; F15-F63 HydrophobicContact CE1-CE2 4.03Å; F15-F63 HydrophobicContact CE1-CZ 4.37Å; L18-F63 HydrophobicContact CD1-CE2 4.29Å; F22-F63 HydrophobicContact CD2-CE1 4.48Å; F22-F63 HydrophobicContact CD2-CZ 4.3Å; F22-F63 HydrophobicContact CE2-CD2 4.22Å; F22-F63 HydrophobicContact CE2-CE1 4.1Å; F22-F63 AromaticContact CE2-CE2 3.66Å; F22-F63 HydrophobicContact CE2-CE2 3.66Å; F22-F63 AromaticContact CE2-CZ 3.6Å; F22-F63 HydrophobicContact CE2-CZ 3.6Å; F22-F63 HydrophobicContact CZ-CE2 4.27Å; E30-F63 WeakPolarHBondContact OE2-CB 3.46Å; E30-F63 PolarHBondContact OE2-N 3.17Å; M33-F63 HydrophobicContact CB-CB 3.72Å; M33-F63 HydrophobicContact CB-CD1 4.12Å; M33-F63 HydrophobicContact CB-CD2 4Å; M33-F63 HydrophobicContact CB-CG 3.67Å; M33-F63 HydrophobicContact SD-CD1 3.82Å; M33-F63 HydrophobicContact SD-CE1 4.26Å; M33-F63 HydrophobicContact SD-CG 4.32Å; F34-F63 HydrophobicContact CB-CB 4.17Å; A37-F63 HydrophobicContact CB-CD2 3.97Å; A37-F63 HydrophobicContact CB-CE2 4.02Å; A61-F63 VanDerWaalsContact C-N 3.33Å; A61-F63 PolarHBondContact O-N 2.99Å; F63-A65 VanDerWaalsContact C-N 3.32Å; F63-A65 PolarHBondContact O-N 2.97Å; F63-L66 WeakPolarHBondContact O-CB 3.35Å; F63-L66 PolarHBondContact O-N 3.22Å; F63-K67 WeakPolarHBondContact O-CB 3.45Å; F63-K67 PolarHBondContact O-N 2.87Å
64T91.6Very high87.2Confident77 Ų7760.5 Ų60.547%0.47233%0.334SS..Hα-helixtrans-60.5-42.5175.5-66.30000111.6E30 A61 K67 A68E30-T64 PolarHBondContact OE1-OG1 3.03Å; E30-T64 PolarHBondContact OE2-N 3.22Å; E30-T64 PolarHBondContact OE2-OG1 3.47Å; A61-T64 PolarHBondContact O-N 3.26Å; T64-K67 PolarHBondContact O-N 3.43Å; T64-A68 PolarHBondContact O-N 2.89Å; T64-A68 VanDerWaalsContact O-N 3.1Å
65A91.7Very high86.2Confident20 Ų2057.4 Ų57.417%0.16532%0.318CS..Hα-helixtrans-67.2-42175.700000112F52 Q59 A61 F63 K67 A68 V69F52-A65 HydrophobicContact CE2-CB 3.73Å; F52-A65 HydrophobicContact CZ-CB 3.62Å; Q59-A65 HydrophobicContact CB-CB 4.38Å; Q59-A65 HydrophobicContact CG-CB 4.11Å; A61-A65 WeakPolarHBondContact O-CB 3.49Å; A61-A65 PolarHBondContact O-N 3.49Å; F63-A65 VanDerWaalsContact C-N 3.32Å; F63-A65 PolarHBondContact O-N 2.97Å; A65-K67 VanDerWaalsContact C-N 3.32Å; A65-K67 PolarHBondContact O-N 3.16Å; A65-A68 PolarHBondContact O-N 3.28Å; A65-V69 WeakPolarHBondContact O-CG2 3.16Å; A65-V69 PolarHBondContact O-N 3.19Å
66L90.8Very high85Confident0 Ų060.3 Ų60.30%033%0.331CS..Hα-helixtrans-56.7-47.9173.7179.968.3000110.7F34 A37 L38 M41 L49 F52 P62 F63 A68 V69 C70F34-L66 HydrophobicContact CD2-CB 4.09Å; F34-L66 HydrophobicContact CD2-CD2 3.83Å; F34-L66 HydrophobicContact CD2-CG 4.46Å; F34-L66 HydrophobicContact CE2-CB 4.14Å; F34-L66 HydrophobicContact CE2-CD1 4.26Å; F34-L66 HydrophobicContact CE2-CD2 3.97Å; F34-L66 HydrophobicContact CE2-CG 4.35Å; A37-L66 HydrophobicContact CB-CD2 3.96Å; L38-L66 HydrophobicContact CD2-CD2 4.45Å; M41-L66 HydrophobicContact CE-CD2 3.93Å; M41-L66 HydrophobicContact CE-CG 4.32Å; L49-L66 HydrophobicContact CD1-CD1 4.14Å; F52-L66 HydrophobicContact CD1-CD1 3.77Å; F52-L66 VanDerWaalsContact CE1-CA 3.47Å; F52-L66 HydrophobicContact CE1-CB 3.65Å; F52-L66 HydrophobicContact CE1-CD1 3.71Å; F52-L66 HydrophobicContact CE1-CG 4.3Å; F52-L66 HydrophobicContact CZ-CB 4.18Å; F52-L66 VanDerWaalsContact CZ-N 3.3Å; P62-L66 VanDerWaalsContact O-CB 3.25Å; P62-L66 WeakPolarHBondContact O-CB 3.21Å; P62-L66 PolarHBondContact O-N 3.05Å; F63-L66 WeakPolarHBondContact O-CB 3.35Å; F63-L66 PolarHBondContact O-N 3.22Å; L66-A68 VanDerWaalsContact C-N 3.32Å; L66-A68 PolarHBondContact O-N 2.97Å; L66-V69 PolarHBondContact O-N 3.21Å; L66-C70 VanDerWaalsContact O-CB 3.25Å; L66-C70 WeakPolarHBondContact O-CB 3.28Å; L66-C70 PolarHBondContact O-N 3.4Å; L66-C70 PolarHBondContact O-SG 2.98Å
67K90.1Very high83.9Confident59 Ų5964.4 Ų64.426%0.25735%0.352SS..Hα-helixtrans-57.5-45.7178.2-177.2173.2179176.80111.2F15 D19 F63 T64 A65 L71F15-K67 HydrophobicContact CB-CD 4.25Å; F15-K67 HydrophobicContact CB-CG 4.39Å; F15-K67 HydrophobicContact CD1-CB 4.08Å; F15-K67 HydrophobicContact CD1-CD 4.1Å; F15-K67 HydrophobicContact CD1-CG 3.84Å; F15-K67 HydrophobicContact CD2-CG 4.13Å; F15-K67 HydrophobicContact CE1-CB 3.86Å; F15-K67 HydrophobicContact CE1-CG 4.07Å; F15-K67 HydrophobicContact CE2-CG 4.37Å; F15-K67 HydrophobicContact CG-CD 4.19Å; F15-K67 HydrophobicContact CG-CG 3.87Å; F15-K67 HydrophobicContact CZ-CB 4.18Å; F15-K67 HydrophobicContact CZ-CG 4.35Å; D19-K67 IonicContact OD1-NZ 3.11Å; D19-K67 IonicContact OD2-NZ 2.73Å; D19-K67 PolarHBondContact OD2-NZ 2.89Å; F63-K67 WeakPolarHBondContact O-CB 3.45Å; F63-K67 PolarHBondContact O-N 2.87Å; T64-K67 PolarHBondContact O-N 3.43Å; A65-K67 VanDerWaalsContact C-N 3.32Å; A65-K67 PolarHBondContact O-N 3.16Å; K67-L71 HydrophobicContact CG-CD1 4Å; K67-L71 WeakPolarHBondContact O-CB 3.48Å; K67-L71 WeakPolarHBondContact O-CG 3.44Å; K67-L71 PolarHBondContact O-N 2.84Å
68A87.9Confident82.7Confident61 Ų6159.4 Ų59.450%0.50432%0.323SS..Hα-helixtrans-61-49177.500000112.2T64 A65 L66 L71 D72T64-A68 PolarHBondContact O-N 2.89Å; T64-A68 VanDerWaalsContact O-N 3.1Å; A65-A68 PolarHBondContact O-N 3.28Å; L66-A68 VanDerWaalsContact C-N 3.32Å; L66-A68 PolarHBondContact O-N 2.97Å; A68-L71 PolarHBondContact O-N 2.72Å; A68-D72 WeakPolarHBondContact O-CB 3.35Å; A68-D72 PolarHBondContact O-N 2.85Å
69V88.7Confident81.4Confident32 Ų3254.6 Ų54.619%0.19431%0.309CS..Hα-helixtrans-66.9-41.2-178.9176.10000111.9L49 F52 A65 L66 L71 D72 R73L49-V69 HydrophobicContact CD2-CG1 4Å; F52-V69 HydrophobicContact CB-CG1 4.18Å; F52-V69 HydrophobicContact CD2-CB 4.41Å; F52-V69 HydrophobicContact CD2-CG2 3.73Å; F52-V69 HydrophobicContact CE2-CG2 4.11Å; F52-V69 HydrophobicContact CG-CB 4.41Å; F52-V69 HydrophobicContact CG-CG1 4.36Å; F52-V69 HydrophobicContact CG-CG2 4.21Å; A65-V69 WeakPolarHBondContact O-CG2 3.16Å; A65-V69 PolarHBondContact O-N 3.19Å; L66-V69 PolarHBondContact O-N 3.21Å; V69-L71 VanDerWaalsContact C-N 3.35Å; V69-D72 PolarHBondContact O-N 3.07Å; V69-R73 HydrophobicContact CG1-CG 4.36Å; V69-R73 WeakPolarHBondContact O-CB 3.42Å; V69-R73 WeakPolarHBondContact O-CG 3.34Å; V69-R73 PolarHBondContact O-N 3.48Å
70C87.5Confident80.2Confident0 Ų056.1 Ų56.10%032%0.316CS..Hα-helixtrans-60.9-45.6175.7-74.10000111.4F15 L49 L66 L74F15-C70 HydrophobicContact CE2-CB 3.52Å; F15-C70 HydrophobicContact CZ-CB 3.6Å; L49-C70 WeakPolarHBondContact CD1-SG 3.43Å; L66-C70 VanDerWaalsContact O-CB 3.25Å; L66-C70 WeakPolarHBondContact O-CB 3.28Å; L66-C70 PolarHBondContact O-N 3.4Å; L66-C70 PolarHBondContact O-SG 2.98Å; C70-L74 HydrophobicContact CB-CD1 4.34Å; C70-L74 WeakPolarHBondContact O-CB 3.33Å; C70-L74 WeakPolarHBondContact O-CG 3.3Å; C70-L74 PolarHBondContact O-N 2.86Å
71L83Confident79Confident39 Ų3952.9 Ų52.920%0.20429%0.29CS..Hα-helixtrans-66.5-43.1178.8-67.9177.3000110.9E12 F15 K67 A68 V69 M75E12-L71 HydrophobicContact CB-CD2 4.33Å; E12-L71 HydrophobicContact CG-CD2 3.52Å; F15-L71 HydrophobicContact CD2-CD2 4.13Å; F15-L71 HydrophobicContact CD2-CG 4.4Å; F15-L71 HydrophobicContact CE2-CD2 4.48Å; K67-L71 HydrophobicContact CG-CD1 4Å; K67-L71 WeakPolarHBondContact O-CB 3.48Å; K67-L71 WeakPolarHBondContact O-CG 3.44Å; K67-L71 PolarHBondContact O-N 2.84Å; A68-L71 PolarHBondContact O-N 2.72Å; V69-L71 VanDerWaalsContact C-N 3.35Å; L71-M75 HydrophobicContact CB-SD 3.82Å; L71-M75 HydrophobicContact CD2-CG 4.37Å; L71-M75 HydrophobicContact CD2-SD 3.67Å; L71-M75 HydrophobicContact CG-SD 4.26Å; L71-M75 WeakPolarHBondContact O-CA 3.44Å; L71-M75 WeakPolarHBondContact O-CB 3.48Å; L71-M75 WeakPolarHBondContact O-CG 3.4Å; L71-M75 PolarHBondContact O-N 3.39Å
72D82.6Confident77.7Confident112 Ų11252.5 Ų52.560%0.59928%0.284SS*.Hα-helixtrans-58.5-53.4177.8-168.663000111.8A68 V69 D76A68-D72 WeakPolarHBondContact O-CB 3.35Å; A68-D72 PolarHBondContact O-N 2.85Å; V69-D72 PolarHBondContact O-N 3.07Å; D72-D76 PolarHBondContact O-N 3.15Å
73R80.8Confident76.5Confident85 Ų8558.1 Ų58.132%0.32130%0.303SS..Hα-helixtrans-75.1-39.6-174.5-66.6-178.9-177-1714114.4T48 D51 V69T48-R73 PolarHBondContact O-NH1 3.12Å; D51-R73 VanDerWaalsContact CG-NH2 3.29Å; D51-R73 IonicContact OD1-CZ 2.92Å; D51-R73 IonicContact OD1-NH1 3.89Å; D51-R73 PolarHBondContact OD1-NH1 3.26Å; D51-R73 IonicContact OD1-NH2 3.8Å; D51-R73 PolarHBondContact OD1-NH2 3.38Å; D51-R73 IonicContact OD2-CZ 3.19Å; D51-R73 IonicContact OD2-NH1 3.33Å; D51-R73 IonicContact OD2-NH2 2.64Å; D51-R73 PolarHBondContact OD2-NH2 3.1Å; V69-R73 HydrophobicContact CG1-CG 4.36Å; V69-R73 WeakPolarHBondContact O-CB 3.42Å; V69-R73 WeakPolarHBondContact O-CG 3.34Å; V69-R73 PolarHBondContact O-N 3.48Å
74L75Confident75.1Confident51 Ų5163.6 Ų63.627%0.26733%0.329SS..Hα-helixtrans-83.4-23.5-177-58.1173.4000111.4F6 P11 C70F6-L74 HydrophobicContact CZ-CD1 3.85Å; P11-L74 HydrophobicContact CB-CD1 4.06Å; P11-L74 HydrophobicContact CG-CB 4.01Å; P11-L74 HydrophobicContact CG-CD1 4.38Å; C70-L74 HydrophobicContact CB-CD1 4.34Å; C70-L74 WeakPolarHBondContact O-CB 3.33Å; C70-L74 WeakPolarHBondContact O-CG 3.3Å; C70-L74 PolarHBondContact O-N 2.86Å
75M68.9Low73.8Confident43 Ų4360.9 Ų60.921%0.21231%0.314CS..Hα-helixtrans-90.6-6.1177.4-58.117651.500114.6E12 L71 D77 R78 P108E12-M75 HydrophobicContact CG-CE 4.44Å; E12-M75 HydrophobicContact CG-SD 3.8Å; E12-M75 WeakPolarHBondContact OE1-CE 3.37Å; E12-M75 VanDerWaalsContact OE1-SD 3.32Å; L71-M75 HydrophobicContact CB-SD 3.82Å; L71-M75 HydrophobicContact CD2-CG 4.37Å; L71-M75 HydrophobicContact CD2-SD 3.67Å; L71-M75 HydrophobicContact CG-SD 4.26Å; L71-M75 WeakPolarHBondContact O-CA 3.44Å; L71-M75 WeakPolarHBondContact O-CB 3.48Å; L71-M75 WeakPolarHBondContact O-CG 3.4Å; L71-M75 PolarHBondContact O-N 3.39Å; M75-D77 PolarHBondContact O-N 3.25Å; M75-R78 HydrophobicContact CB-CB 4.13Å; M75-R78 WeakPolarHBondContact O-CA 3.41Å; M75-R78 WeakPolarHBondContact O-CB 3.48Å; M75-R78 PolarHBondContact O-N 2.99Å; M75-P108 HydrophobicContact CE-CB 3.96Å
76D63Low72.5Confident119 Ų11961.4 Ų61.464%0.63631%0.314SS*.Hα-helixtrans-56.5-33.5170-95.7-19.3000111.8D72 R78D72-D76 PolarHBondContact O-N 3.15Å; D76-R78 PolarHBondContact O-N 2.94Å
77D62.8Low71.4Confident91 Ų9165.9 Ų65.949%0.48734%0.341SS..Hα-helixtrans-68.8-20.7172.6-164.325.3000112.6M75 A79 H80 Q81M75-D77 PolarHBondContact O-N 3.25Å; D77-A79 PolarHBondContact O-N 2.91Å; D77-H80 PolarHBondContact O-N 3.4Å; D77-H80 VanDerWaalsContact O-N 3.14Å; D77-Q81 WeakPolarHBondContact O-CG 3.45Å; D77-Q81 PolarHBondContact O-N 2.89Å; D77-Q81 PolarHBondContact OD2-NE2 3.47Å
78R59.3Low70.2Confident28 Ų2868.3 Ų68.311%0.10636%0.357CS..Hα-helixtrans-67-33.5-174.8-158.8-175.8179.7150.44.5112.7E12 M75 D76 H80 Q81 I82 Q105 L106 M107 P108E12-R78 IonicContact OE1-NH1 2.84Å; E12-R78 PolarHBondContact OE1-NH1 2.91Å; E12-R78 VanDerWaalsContact OE1-NH1 3.16Å; E12-R78 IonicContact OE2-CZ 3.67Å; E12-R78 IonicContact OE2-NH1 3.65Å; E12-R78 PolarHBondContact OE2-NH1 3.29Å; E12-R78 IonicContact OE2-NH2 2.65Å; M75-R78 HydrophobicContact CB-CB 4.13Å; M75-R78 WeakPolarHBondContact O-CA 3.41Å; M75-R78 WeakPolarHBondContact O-CB 3.48Å; M75-R78 PolarHBondContact O-N 2.99Å; D76-R78 PolarHBondContact O-N 2.94Å; R78-H80 VanDerWaalsContact C-N 3.26Å; R78-H80 PolarHBondContact O-N 2.99Å; R78-Q81 PolarHBondContact O-N 3.44Å; R78-I82 HydrophobicContact CG-CD1 3.92Å; R78-I82 HydrophobicContact CG-CG1 4.12Å; R78-I82 VanDerWaalsContact O-CB 3.28Å; R78-I82 WeakPolarHBondContact O-CB 3.39Å; R78-I82 WeakPolarHBondContact O-CD1 3.43Å; R78-I82 WeakPolarHBondContact O-CG1 3.2Å; R78-I82 PolarHBondContact O-N 2.96Å; R78-Q105 PolarHBondContact NH2-O 2.87Å; R78-L106 PolarHBondContact NE-O 3.36Å; R78-L106 PolarHBondContact NH2-O 3.43Å; R78-M107 VanDerWaalsContact NH2-C 3.3Å; R78-M107 PolarHBondContact NH2-O 2.73Å; R78-P108 VanDerWaalsContact CZ-CA 3.43Å; R78-P108 VanDerWaalsContact NH2-CA 3.34Å
79A59.8Low69.3Low47 Ų4766.7 Ų66.739%0.38834%0.339SS..Hα-helixtrans-64-35.9176.300000111.6D77 R83D77-A79 PolarHBondContact O-N 2.91Å; A79-R83 WeakPolarHBondContact O-CG 3.16Å; A79-R83 PolarHBondContact O-N 3.42Å; A79-R83 PolarHBondContact O-NE 2.78Å
80H62Low68.3Low117 Ų11771.7 Ų71.754%0.54236%0.36SS..Hα-helixtrans-72.7-45172.7-80.7-79000111.7D77 R78 I82 R83 Q84D77-H80 PolarHBondContact O-N 3.4Å; D77-H80 VanDerWaalsContact O-N 3.14Å; R78-H80 VanDerWaalsContact C-N 3.26Å; R78-H80 PolarHBondContact O-N 2.99Å; H80-I82 VanDerWaalsContact C-N 3.31Å; H80-I82 PolarHBondContact O-N 3.42Å; H80-R83 PolarHBondContact CD2-NH2 2.93Å; H80-R83 VanDerWaalsContact CD2-NH2 3.26Å; H80-R83 PolarHBondContact CE1-NH2 3.03Å; H80-R83 VanDerWaalsContact CG-NH2 3.3Å; H80-R83 PolarHBondContact ND1-NH2 3.39Å; H80-R83 PolarHBondContact NE2-NH2 3.35Å; H80-R83 VanDerWaalsContact NE2-NH2 3.11Å; H80-R83 PolarHBondContact O-N 3.27Å; H80-Q84 WeakPolarHBondContact O-CB 3.18Å; H80-Q84 PolarHBondContact O-N 3.45Å
81Q60.8Low67.5Low78 Ų7872.8 Ų72.836%0.36437%0.366SS..Hα-helixtrans-60.8-38.2176.2-67.6174.41500112.2D77 R78 Q84 A85D77-Q81 WeakPolarHBondContact O-CG 3.45Å; D77-Q81 PolarHBondContact O-N 2.89Å; D77-Q81 PolarHBondContact OD2-NE2 3.47Å; R78-Q81 PolarHBondContact O-N 3.44Å; Q81-Q84 PolarHBondContact O-N 3.19Å; Q81-A85 WeakPolarHBondContact O-CA 3.38Å; Q81-A85 WeakPolarHBondContact O-CB 3.17Å; Q81-A85 PolarHBondContact O-N 2.93Å
82I63.9Low66.8Low26 Ų2674.5 Ų74.513%0.13339%0.386CS..Hα-helixtrans-64-49.1174.9-72.3162.6000109.7R78 H80 Q84 A85 I86 L106 M107 P108R78-I82 HydrophobicContact CG-CD1 3.92Å; R78-I82 HydrophobicContact CG-CG1 4.12Å; R78-I82 VanDerWaalsContact O-CB 3.28Å; R78-I82 WeakPolarHBondContact O-CB 3.39Å; R78-I82 WeakPolarHBondContact O-CD1 3.43Å; R78-I82 WeakPolarHBondContact O-CG1 3.2Å; R78-I82 PolarHBondContact O-N 2.96Å; H80-I82 VanDerWaalsContact C-N 3.31Å; H80-I82 PolarHBondContact O-N 3.42Å; I82-Q84 VanDerWaalsContact C-N 3.34Å; I82-Q84 PolarHBondContact O-N 3.36Å; I82-A85 PolarHBondContact O-N 3.47Å; I82-I86 HydrophobicContact CG2-CD1 3.4Å; I82-I86 VanDerWaalsContact CG2-CD1 3.4Å; I82-I86 HydrophobicContact CG2-CG1 4.27Å; I82-I86 VanDerWaalsContact O-CB 3.27Å; I82-I86 WeakPolarHBondContact O-CB 3.11Å; I82-I86 WeakPolarHBondContact O-CD1 3.39Å; I82-I86 WeakPolarHBondContact O-CG1 3.32Å; I82-I86 PolarHBondContact O-N 3.23Å; I82-L106 WeakPolarHBondContact CG1-O 3.34Å; I82-M107 HydrophobicContact CD1-SD 4.41Å; I82-M107 HydrophobicContact CG1-SD 4.46Å; I82-M107 HydrophobicContact CG2-SD 3.7Å; I82-P108 HydrophobicContact CD1-CG 4.42Å
83R64.9Low66.2Low130 Ų13072.7 Ų72.749%0.49139%0.393SS..Hα-helixtrans-61.1-43.9177.9-75.6-174.3-67-97.12.7111.7A79 H80 T87A79-R83 WeakPolarHBondContact O-CG 3.16Å; A79-R83 PolarHBondContact O-N 3.42Å; A79-R83 PolarHBondContact O-NE 2.78Å; H80-R83 PolarHBondContact CD2-NH2 2.93Å; H80-R83 VanDerWaalsContact CD2-NH2 3.26Å; H80-R83 PolarHBondContact CE1-NH2 3.03Å; H80-R83 VanDerWaalsContact CG-NH2 3.3Å; H80-R83 PolarHBondContact ND1-NH2 3.39Å; H80-R83 PolarHBondContact NE2-NH2 3.35Å; H80-R83 VanDerWaalsContact NE2-NH2 3.11Å; H80-R83 PolarHBondContact O-N 3.27Å; R83-T87 WeakPolarHBondContact O-CB 3.45Å; R83-T87 PolarHBondContact O-N 2.96Å; R83-T87 PolarHBondContact O-OG1 2.93Å
84Q62.8Low66Low121 Ų12175.1 Ų75.157%0.56540%0.403SS*.Hα-helixtrans-66.3-49.6179.6-173.9170.912.900110.9H80 Q81 I82 I86 T87 D88H80-Q84 WeakPolarHBondContact O-CB 3.18Å; H80-Q84 PolarHBondContact O-N 3.45Å; Q81-Q84 PolarHBondContact O-N 3.19Å; I82-Q84 VanDerWaalsContact C-N 3.34Å; I82-Q84 PolarHBondContact O-N 3.36Å; Q84-I86 PolarHBondContact O-N 3.47Å; Q84-T87 WeakPolarHBondContact O-CB 3.26Å; Q84-T87 PolarHBondContact O-N 3.01Å; Q84-D88 VanDerWaalsContact CG-OD2 3.3Å; Q84-D88 WeakPolarHBondContact CG-OD2 3.37Å; Q84-D88 WeakPolarHBondContact O-CB 3.4Å; Q84-D88 PolarHBondContact O-N 3.34Å
85A62.8Low66.4Low20 Ų2075.6 Ų75.617%0.16541%0.409CS..Hα-helixtrans-63.5-40.317900000111.9Q81 I82 T87 D88 E89 L106Q81-A85 WeakPolarHBondContact O-CA 3.38Å; Q81-A85 WeakPolarHBondContact O-CB 3.17Å; Q81-A85 PolarHBondContact O-N 2.93Å; I82-A85 PolarHBondContact O-N 3.47Å; A85-T87 VanDerWaalsContact C-N 3.26Å; A85-T87 PolarHBondContact O-N 2.98Å; A85-D88 PolarHBondContact O-N 3.45Å; A85-E89 WeakPolarHBondContact O-CB 3.4Å; A85-E89 PolarHBondContact O-N 2.87Å; A85-L106 HydrophobicContact CB-CD1 3.44Å; A85-L106 VanDerWaalsContact CB-CD1 3.44Å; A85-L106 HydrophobicContact CB-CD2 3.58Å; A85-L106 HydrophobicContact CB-CG 4.08Å
86I65.1Low67.1Low31 Ų3173.6 Ų73.616%0.15940%0.399CS..Hα-helixtrans-63.5-33.9173.9-69.2165.2000111.5I82 Q84 L122 R126I82-I86 HydrophobicContact CG2-CD1 3.4Å; I82-I86 VanDerWaalsContact CG2-CD1 3.4Å; I82-I86 HydrophobicContact CG2-CG1 4.27Å; I82-I86 VanDerWaalsContact O-CB 3.27Å; I82-I86 WeakPolarHBondContact O-CB 3.11Å; I82-I86 WeakPolarHBondContact O-CD1 3.39Å; I82-I86 WeakPolarHBondContact O-CG1 3.32Å; I82-I86 PolarHBondContact O-N 3.23Å; Q84-I86 PolarHBondContact O-N 3.47Å; I86-L122 HydrophobicContact CD1-CD1 3.57Å; I86-L122 HydrophobicContact CG1-CD1 3.93Å; I86-L122 HydrophobicContact CG2-CD1 3.84Å; I86-L122 HydrophobicContact CG2-CD2 3.55Å; I86-L122 HydrophobicContact CG2-CG 4.3Å; I86-R126 PolarHBondContact O-NH2 2.83Å
87T66.9Low68.2Low94 Ų9469.2 Ų69.258%0.57738%0.378SS*.Hα-helixtrans-74.4-44.4-178.7-56.50000111.3R83 Q84 A85 R126R83-T87 WeakPolarHBondContact O-CB 3.45Å; R83-T87 PolarHBondContact O-N 2.96Å; R83-T87 PolarHBondContact O-OG1 2.93Å; Q84-T87 WeakPolarHBondContact O-CB 3.26Å; Q84-T87 PolarHBondContact O-N 3.01Å; A85-T87 VanDerWaalsContact C-N 3.26Å; A85-T87 PolarHBondContact O-N 2.98Å; T87-R126 PolarHBondContact O-NH2 2.88Å
88D65.5Low69.3Low109 Ų10967.6 Ų67.658%0.58337%0.371SS*.Hα-helixtrans-84.3-17.1-173.6-64.1-23.1000113.2Q84 A85 E90Q84-D88 VanDerWaalsContact CG-OD2 3.3Å; Q84-D88 WeakPolarHBondContact CG-OD2 3.37Å; Q84-D88 WeakPolarHBondContact O-CB 3.4Å; Q84-D88 PolarHBondContact O-N 3.34Å; A85-D88 PolarHBondContact O-N 3.45Å; D88-E90 PolarHBondContact O-N 2.86Å
89E68.2Low70.6Confident27 Ų2766.5 Ų66.513%0.12637%0.367CS..  trans-87.5105.5-173.1-153.6154.7-128.800112.2A85 F99 R102 L106A85-E89 WeakPolarHBondContact O-CB 3.4Å; A85-E89 PolarHBondContact O-N 2.87Å; E89-F99 HydrophobicContact CB-CE2 4.31Å; E89-F99 HydrophobicContact CG-CD2 4.27Å; E89-F99 HydrophobicContact CG-CE2 3.96Å; E89-R102 WeakPolarHBondContact OE1-CG 3.4Å; E89-R102 IonicContact OE1-NE 2.72Å; E89-R102 PolarHBondContact OE1-NE 3.41Å; E89-R102 WeakPolarHBondContact OE2-CG 3.32Å; E89-L106 WeakPolarHBondContact OE2-CD1 3.37Å
90E68Low71.8Confident137 Ų13764.5 Ų64.564%0.6435%0.35SS*.  trans-96.7155173.6-62.5-174.9167.300111.3D88 A92D88-E90 PolarHBondContact O-N 2.86Å; E90-A92 HydrophobicContact CB-CB 4.39Å; E90-A92 PolarHBondContact O-N 3.38Å
91L71.9Confident72.8Confident24 Ų2465.8 Ų65.813%0.12635%0.35CS..  trans-59.4-29.4174.9-171.966000111.7G93 R94 P96 F99 L127 P128 L154L91-G93 PolarHBondContact O-N 3.44Å; L91-R94 WeakPolarHBondContact CD1-O 3.45Å; L91-R94 WeakPolarHBondContact O-CB 3.43Å; L91-R94 PolarHBondContact O-N 3.44Å; L91-P96 HydrophobicContact CD1-CG 4.22Å; L91-F99 HydrophobicContact CD1-CB 3.8Å; L91-F99 HydrophobicContact CD1-CD1 4.18Å; L91-F99 HydrophobicContact CD1-CG 4.05Å; L91-L127 HydrophobicContact CD2-CD2 4.08Å; L91-P128 HydrophobicContact CD2-CG 4.44Å; L91-L154 HydrophobicContact CD2-CD1 4.04Å
92A66.9Low73.7Confident75 Ų7567 Ų6762%0.6235%0.351SS*.THydrogen-bonded Turntrans39.740.9167.700000116E90 R94E90-A92 HydrophobicContact CB-CB 4.39Å; E90-A92 PolarHBondContact O-N 3.38Å; A92-R94 PolarHBondContact O-N 3.32Å
93G70.2Confident74.4Confident73 Ų7366 Ų6675%0.75335%0.346SS*.THydrogen-bonded Turntrans71.56-178.800000115.5L91L91-G93 PolarHBondContact O-N 3.44Å
94R76.3Confident75.2Confident137 Ų13764.1 Ų64.152%0.51734%0.343SS..  trans-79.9149.7172.8-60.7-179-174178.64110L91 A92L91-R94 WeakPolarHBondContact CD1-O 3.45Å; L91-R94 WeakPolarHBondContact O-CB 3.43Å; L91-R94 PolarHBondContact O-N 3.44Å; A92-R94 PolarHBondContact O-N 3.32Å
95P83.5Confident75.7Confident61 Ų6163.7 Ų63.740%0.39634%0.341SS..  trans-62.1134.3172.124.5-31.9000109.9S97 V98 F99 D151P95-S97 PolarHBondContact O-N 3.4Å; P95-S97 VanDerWaalsContact O-N 3.1Å; P95-V98 HydrophobicContact CG-CB 3.99Å; P95-V98 HydrophobicContact CG-CG2 3.63Å; P95-V98 WeakPolarHBondContact O-CB 3.38Å; P95-V98 PolarHBondContact O-N 3.38Å; P95-F99 PolarHBondContact O-N 2.8Å; P95-D151 WeakPolarHBondContact CB-OD1 3.38Å
96P84.1Confident76.1Confident0 Ų064 Ų640%034%0.339CS..Hα-helixtrans-44.6-36.9174.4-32.833.3000115.3L91 V98 F99 L100 F123 L127 A150 D151 L154L91-P96 HydrophobicContact CD1-CG 4.22Å; P96-V98 VanDerWaalsContact C-N 3.31Å; P96-V98 PolarHBondContact O-N 3.29Å; P96-F99 PolarHBondContact O-N 2.98Å; P96-L100 WeakPolarHBondContact O-CB 3.34Å; P96-L100 PolarHBondContact O-N 3.34Å; P96-F123 HydrophobicContact CB-CE2 3.83Å; P96-F123 HydrophobicContact CB-CZ 3.63Å; P96-F123 VanDerWaalsContact O-CE2 3.26Å; P96-F123 WeakPolarHBondContact O-CE2 3.45Å; P96-L127 HydrophobicContact CB-CD2 3.93Å; P96-L127 HydrophobicContact CG-CD2 3.73Å; P96-A150 HydrophobicContact CB-CB 3.59Å; P96-A150 HydrophobicContact CG-CB 3.71Å; P96-D151 WeakPolarHBondContact CA-OD1 3.03Å; P96-D151 WeakPolarHBondContact CB-OD1 2.96Å; P96-D151 WeakPolarHBondContact CD-OD1 3.44Å; P96-L154 HydrophobicContact CG-CD1 3.29Å; P96-L154 HydrophobicContact CG-CG 4.44Å
97S86.7Confident76.3Confident28 Ų2863.8 Ų63.820%0.19634%0.338CS..Hα-helixtrans-64.5-32.4176.562.30000114.2P95 R101 D151P95-S97 PolarHBondContact O-N 3.4Å; P95-S97 VanDerWaalsContact O-N 3.1Å; S97-R101 PolarHBondContact O-N 3.45Å; S97-R101 VanDerWaalsContact O-N 3.12Å; S97-D151 WeakPolarHBondContact CB-OD2 3.01Å; S97-D151 PolarHBondContact N-OD1 3.27Å; S97-D151 PolarHBondContact OG-OD1 3.3Å; S97-D151 PolarHBondContact OG-OD2 2.76Å
98V86Confident76.2Confident56 Ų5660.3 Ų60.334%0.33932%0.317SS..Hα-helixtrans-74.8-42.6175.1172.10000109.9P95 P96 L100 R101 R102P95-V98 HydrophobicContact CG-CB 3.99Å; P95-V98 HydrophobicContact CG-CG2 3.63Å; P95-V98 WeakPolarHBondContact O-CB 3.38Å; P95-V98 PolarHBondContact O-N 3.38Å; P96-V98 VanDerWaalsContact C-N 3.31Å; P96-V98 PolarHBondContact O-N 3.29Å; V98-L100 VanDerWaalsContact C-N 3.29Å; V98-L100 PolarHBondContact O-N 2.76Å; V98-R101 PolarHBondContact O-N 3.46Å; V98-R102 WeakPolarHBondContact O-CB 3.45Å; V98-R102 PolarHBondContact O-N 2.83Å
99F86.1Confident76.1Confident6 Ų659 Ų593%0.02632%0.322CS..Hα-helixtrans-58.1-43.7173.4175-113.9000111.3E89 L91 P95 P96 R101 R102 L103 F123 R126E89-F99 HydrophobicContact CB-CE2 4.31Å; E89-F99 HydrophobicContact CG-CD2 4.27Å; E89-F99 HydrophobicContact CG-CE2 3.96Å; L91-F99 HydrophobicContact CD1-CB 3.8Å; L91-F99 HydrophobicContact CD1-CD1 4.18Å; L91-F99 HydrophobicContact CD1-CG 4.05Å; P95-F99 PolarHBondContact O-N 2.8Å; P96-F99 PolarHBondContact O-N 2.98Å; F99-R101 PolarHBondContact O-N 2.9Å; F99-R102 WeakPolarHBondContact O-CB 3Å; F99-R102 PolarHBondContact O-N 3.31Å; F99-L103 HydrophobicContact CD1-CD1 4.12Å; F99-L103 HydrophobicContact CD2-CG 4.48Å; F99-L103 HydrophobicContact CE1-CD1 3.51Å; F99-L103 HydrophobicContact CE1-CG 4.1Å; F99-L103 HydrophobicContact CE2-CD1 4.32Å; F99-L103 HydrophobicContact CE2-CD2 4Å; F99-L103 HydrophobicContact CE2-CG 4.04Å; F99-L103 HydrophobicContact CZ-CD1 3.61Å; F99-L103 HydrophobicContact CZ-CD2 3.86Å; F99-L103 HydrophobicContact CZ-CG 3.82Å; F99-L103 WeakPolarHBondContact O-CG 3.37Å; F99-L103 PolarHBondContact O-N 2.95Å; F99-F123 AromaticContact CD1-CD2 3.64Å; F99-F123 HydrophobicContact CD1-CD2 3.64Å; F99-F123 AromaticContact CD1-CE2 3.9Å; F99-F123 HydrophobicContact CD1-CE2 3.9Å; F99-F123 AromaticContact CE1-CD2 3.94Å; F99-F123 HydrophobicContact CE1-CD2 3.94Å; F99-R126 HydrophobicContact CE1-CB 3.76Å; F99-R126 HydrophobicContact CE1-CG 4.26Å; F99-R126 HydrophobicContact CZ-CB 3.78Å; F99-R126 HydrophobicContact CZ-CG 3.88Å
100L85.2Confident75.4Confident5 Ų560.9 Ų60.93%0.02635%0.348CS..Hα-helixtrans-57.1-50.5174.5-167.195.4000112.3P96 V98 R102 L103 Q104 F123 L143 A147P96-L100 WeakPolarHBondContact O-CB 3.34Å; P96-L100 PolarHBondContact O-N 3.34Å; V98-L100 VanDerWaalsContact C-N 3.29Å; V98-L100 PolarHBondContact O-N 2.76Å; L100-R102 PolarHBondContact O-N 3.22Å; L100-L103 WeakPolarHBondContact O-CB 3.22Å; L100-L103 PolarHBondContact O-N 3.48Å; L100-Q104 WeakPolarHBondContact O-CG 3.41Å; L100-Q104 PolarHBondContact O-N 2.82Å; L100-F123 HydrophobicContact CB-CD2 4.26Å; L100-F123 HydrophobicContact CB-CE2 4.09Å; L100-F123 HydrophobicContact CD1-CB 4.09Å; L100-F123 HydrophobicContact CD1-CD1 3.95Å; L100-F123 HydrophobicContact CD1-CD2 3.54Å; L100-F123 HydrophobicContact CD1-CE1 4.24Å; L100-F123 HydrophobicContact CD1-CE2 3.87Å; L100-F123 HydrophobicContact CD1-CG 3.57Å; L100-F123 HydrophobicContact CD1-CZ 4.19Å; L100-L143 HydrophobicContact CD1-CD1 3.6Å; L100-L143 HydrophobicContact CD1-CD2 3.6Å; L100-L143 HydrophobicContact CD1-CG 3.29Å; L100-L143 HydrophobicContact CD2-CD2 4.4Å; L100-L143 HydrophobicContact CD2-CG 4.04Å; L100-L143 HydrophobicContact CG-CD2 4.27Å; L100-L143 HydrophobicContact CG-CG 4.13Å; L100-A147 HydrophobicContact CB-CB 4.05Å; L100-A147 HydrophobicContact CD1-CB 4.23Å; L100-A147 HydrophobicContact CD2-CB 4.17Å; L100-A147 HydrophobicContact CG-CB 4.37Å
101R83.4Confident74.6Confident143 Ų14359.8 Ų59.854%0.5435%0.346SS..Hα-helixtrans-60.7-35.3-178.7-163.9-176.3-55.1153.37.1110.7S97 V98 F99 Q104 Q105S97-R101 PolarHBondContact O-N 3.45Å; S97-R101 VanDerWaalsContact O-N 3.12Å; V98-R101 PolarHBondContact O-N 3.46Å; F99-R101 PolarHBondContact O-N 2.9Å; R101-Q104 PolarHBondContact O-N 3.48Å; R101-Q105 VanDerWaalsContact O-CG 3.24Å; R101-Q105 WeakPolarHBondContact O-CG 3.07Å; R101-Q105 PolarHBondContact O-N 3.3Å
102R79.2Confident73.8Confident103 Ų10363.1 Ų63.139%0.38937%0.371SS..Hα-helixtrans-69.7-45.5176.7-177.657.1177.6173.64.6112E89 V98 F99 L100 Q104 Q105 L106E89-R102 WeakPolarHBondContact OE1-CG 3.4Å; E89-R102 IonicContact OE1-NE 2.72Å; E89-R102 PolarHBondContact OE1-NE 3.41Å; E89-R102 WeakPolarHBondContact OE2-CG 3.32Å; V98-R102 WeakPolarHBondContact O-CB 3.45Å; V98-R102 PolarHBondContact O-N 2.83Å; F99-R102 WeakPolarHBondContact O-CB 3Å; F99-R102 PolarHBondContact O-N 3.31Å; L100-R102 PolarHBondContact O-N 3.22Å; R102-Q104 VanDerWaalsContact C-N 3.26Å; R102-Q104 PolarHBondContact O-N 3.1Å; R102-Q105 WeakPolarHBondContact O-CB 3.25Å; R102-Q105 PolarHBondContact O-N 3.39Å; R102-L106 WeakPolarHBondContact O-CG 3.35Å; R102-L106 PolarHBondContact O-N 3.44Å; R102-L106 VanDerWaalsContact O-N 3.1Å
103L79.3Confident73.1Confident6 Ų668.1 Ų68.13%0.03138%0.382CS..Hα-helixtrans-56.2-42.4171-69.1179.8000111.7F99 L100 Q105 L106 M107 I119 L122 F123F99-L103 HydrophobicContact CD1-CD1 4.12Å; F99-L103 HydrophobicContact CD2-CG 4.48Å; F99-L103 HydrophobicContact CE1-CD1 3.51Å; F99-L103 HydrophobicContact CE1-CG 4.1Å; F99-L103 HydrophobicContact CE2-CD1 4.32Å; F99-L103 HydrophobicContact CE2-CD2 4Å; F99-L103 HydrophobicContact CE2-CG 4.04Å; F99-L103 HydrophobicContact CZ-CD1 3.61Å; F99-L103 HydrophobicContact CZ-CD2 3.86Å; F99-L103 HydrophobicContact CZ-CG 3.82Å; F99-L103 WeakPolarHBondContact O-CG 3.37Å; F99-L103 PolarHBondContact O-N 2.95Å; L100-L103 WeakPolarHBondContact O-CB 3.22Å; L100-L103 PolarHBondContact O-N 3.48Å; L103-Q105 VanDerWaalsContact C-N 3.32Å; L103-Q105 PolarHBondContact O-N 2.57Å; L103-L106 PolarHBondContact O-N 3.06Å; L103-M107 WeakPolarHBondContact O-CG 3.47Å; L103-M107 PolarHBondContact O-N 3.43Å; L103-I119 HydrophobicContact CB-CG2 4.01Å; L103-I119 HydrophobicContact CD1-CG2 4.3Å; L103-L122 HydrophobicContact CD1-CB 4.45Å; L103-F123 HydrophobicContact CD1-CB 4.18Å; L103-F123 HydrophobicContact CD1-CD2 4.48Å
104Q80.1Confident72.7Confident91 Ų9166.9 Ų66.943%0.42537%0.369SS..Hα-helixtrans-64.7-34.5176.8-72.4176-37.600112.9L100 R101 R102 M107 I119L100-Q104 WeakPolarHBondContact O-CG 3.41Å; L100-Q104 PolarHBondContact O-N 2.82Å; R101-Q104 PolarHBondContact O-N 3.48Å; R102-Q104 VanDerWaalsContact C-N 3.26Å; R102-Q104 PolarHBondContact O-N 3.1Å; Q104-M107 PolarHBondContact O-N 3.47Å; Q104-I119 HydrophobicContact CG-CD1 4.24Å; Q104-I119 HydrophobicContact CG-CG2 4.43Å
105Q74.7Confident72.4Confident111 Ų11161.2 Ų61.252%0.51935%0.349SS..Hα-helixtrans-70-32.9176.3-75.7169-14.200112.7R78 R101 R102 L103 M107R78-Q105 PolarHBondContact NH2-O 2.87Å; R101-Q105 VanDerWaalsContact O-CG 3.24Å; R101-Q105 WeakPolarHBondContact O-CG 3.07Å; R101-Q105 PolarHBondContact O-N 3.3Å; R102-Q105 WeakPolarHBondContact O-CB 3.25Å; R102-Q105 PolarHBondContact O-N 3.39Å; L103-Q105 VanDerWaalsContact C-N 3.32Å; L103-Q105 PolarHBondContact O-N 2.57Å; Q105-M107 VanDerWaalsContact C-N 3.29Å
106L71.2Confident72.1Confident27 Ų2762.2 Ų62.214%0.14135%0.349CS..Hα-helixtrans-69.1-32.5177.9-65.9170.7000111.6R78 I82 A85 E89 R102 L103R78-L106 PolarHBondContact NE-O 3.36Å; R78-L106 PolarHBondContact NH2-O 3.43Å; I82-L106 WeakPolarHBondContact CG1-O 3.34Å; A85-L106 HydrophobicContact CB-CD1 3.44Å; A85-L106 VanDerWaalsContact CB-CD1 3.44Å; A85-L106 HydrophobicContact CB-CD2 3.58Å; A85-L106 HydrophobicContact CB-CG 4.08Å; E89-L106 WeakPolarHBondContact OE2-CD1 3.37Å; R102-L106 WeakPolarHBondContact O-CG 3.35Å; R102-L106 PolarHBondContact O-N 3.44Å; R102-L106 VanDerWaalsContact O-N 3.1Å; L103-L106 PolarHBondContact O-N 3.06Å
107M69.6Low71.8Confident26 Ų2665 Ų6513%0.12837%0.368CS..SBendtrans-82.2134.9-177.7-61.8-62.7-71.700112.1R78 I82 L103 Q104 Q105 N115 I119R78-M107 VanDerWaalsContact NH2-C 3.3Å; R78-M107 PolarHBondContact NH2-O 2.73Å; I82-M107 HydrophobicContact CD1-SD 4.41Å; I82-M107 HydrophobicContact CG1-SD 4.46Å; I82-M107 HydrophobicContact CG2-SD 3.7Å; L103-M107 WeakPolarHBondContact O-CG 3.47Å; L103-M107 PolarHBondContact O-N 3.43Å; Q104-M107 PolarHBondContact O-N 3.47Å; Q105-M107 VanDerWaalsContact C-N 3.29Å; M107-N115 HydrophobicContact CE-CB 4.13Å; M107-N115 WeakPolarHBondContact CE-OD1 3.38Å; M107-I119 HydrophobicContact CB-CD1 4.16Å; M107-I119 HydrophobicContact CG-CD1 3.86Å; M107-I119 HydrophobicContact CG-CG1 3.81Å
108P64.5Low71.4Confident21 Ų2166.5 Ų66.514%0.13638%0.376CS..  trans-64.9141.2177.922.9-29.9000111.1M75 R78 I82 G110 N115M75-P108 HydrophobicContact CE-CB 3.96Å; R78-P108 VanDerWaalsContact CZ-CA 3.43Å; R78-P108 VanDerWaalsContact NH2-CA 3.34Å; I82-P108 HydrophobicContact CD1-CG 4.42Å; P108-G110 PolarHBondContact O-N 2.91Å; P108-G110 VanDerWaalsContact O-N 3.07Å; P108-N115 PolarHBondContact O-ND2 3.09Å
109A62.1Low71.2Confident82 Ų8264.4 Ų64.468%0.67836%0.362SS*.THydrogen-bonded Turntrans-64-15.8-17500000113.8
110G54.2Low71.1Confident66 Ų6666.4 Ų66.468%0.6837%0.37SS*.THydrogen-bonded Turntrans-82.5-7.9-169.100000117.9P108P108-G110 PolarHBondContact O-N 2.91Å; P108-G110 VanDerWaalsContact O-N 3.07Å
111L51.4Low71Confident114 Ų11472.1 Ų72.160%0.59740%0.397SS*.  trans-116.658.4-176.1-65.1169.3000111.5Q113 N115L111-Q113 VanDerWaalsContact C-N 3.32Å; L111-Q113 PolarHBondContact O-N 3.12Å; L111-Q113 VanDerWaalsContact O-N 3.12Å; L111-N115 WeakPolarHBondContact CB-OD1 3.48Å; L111-N115 VanDerWaalsContact O-CB 3.22Å; L111-N115 WeakPolarHBondContact O-CB 3.49Å; L111-N115 PolarHBondContact O-N 3.09Å; L111-N115 VanDerWaalsContact O-N 3.09Å; L111-N115 PolarHBondContact O-ND2 3.09Å
112S54.8Low70.8Confident94 Ų9467 Ų6766%0.65738%0.38SS*.THydrogen-bonded Turntrans-63-23.4-160.6-43.20000116.5
113Q53.7Low71.2Confident180 Ų18062.1 Ų62.184%0.84136%0.361SS*.THydrogen-bonded Turntrans-98.1-41.6179.1-68.6-172.31300113.7L111L111-Q113 VanDerWaalsContact C-N 3.32Å; L111-Q113 PolarHBondContact O-N 3.12Å; L111-Q113 VanDerWaalsContact O-N 3.12Å
114G60.8Low71.5Confident47 Ų4763.4 Ų63.449%0.48537%0.368SS..Hα-helixtrans-69.4-3817900000112.4E116 S117 V118G114-E116 VanDerWaalsContact C-N 3.31Å; G114-E116 PolarHBondContact O-N 3.33Å; G114-S117 PolarHBondContact O-N 2.89Å; G114-V118 WeakPolarHBondContact O-CG2 3.37Å; G114-V118 PolarHBondContact O-N 3.48Å
115N70.9Confident71.7Confident19 Ų1962.6 Ų62.610%0.10237%0.372CS..Hα-helixtrans-64.9-35.7-178.7-70.4-1.9000111.9M107 P108 L111 S117 V118 I119M107-N115 HydrophobicContact CE-CB 4.13Å; M107-N115 WeakPolarHBondContact CE-OD1 3.38Å; P108-N115 PolarHBondContact O-ND2 3.09Å; L111-N115 WeakPolarHBondContact CB-OD1 3.48Å; L111-N115 VanDerWaalsContact O-CB 3.22Å; L111-N115 WeakPolarHBondContact O-CB 3.49Å; L111-N115 PolarHBondContact O-N 3.09Å; L111-N115 VanDerWaalsContact O-N 3.09Å; L111-N115 PolarHBondContact O-ND2 3.09Å; N115-S117 PolarHBondContact O-N 3.19Å; N115-V118 PolarHBondContact O-N 3.27Å; N115-I119 HydrophobicContact CB-CD1 4.16Å; N115-I119 WeakPolarHBondContact O-CB 3.27Å; N115-I119 WeakPolarHBondContact O-CD1 3.41Å; N115-I119 WeakPolarHBondContact O-CG1 3.38Å; N115-I119 PolarHBondContact O-N 2.8Å
116E76.6Confident72.1Confident82 Ų8262 Ų6238%0.38337%0.365SS..Hα-helixtrans-65.4-40.6-177.1-163.1-173.1146.400111.9G114 R120G114-E116 VanDerWaalsContact C-N 3.31Å; G114-E116 PolarHBondContact O-N 3.33Å; E116-R120 WeakPolarHBondContact O-CB 3.11Å; E116-R120 PolarHBondContact O-N 2.89Å; E116-R120 IonicContact OE1-CZ 3.78Å; E116-R120 IonicContact OE1-NH1 3.25Å; E116-R120 IonicContact OE1-NH2 3.9Å; E116-R120 PolarHBondContact OE1-NH2 3.44Å
117S77.4Confident72.7Confident57 Ų5761 Ų6140%0.39936%0.36SS..Hα-helixtrans-64.5-43.4176-173.60000111.7G114 N115 R120 Q121G114-S117 PolarHBondContact O-N 2.89Å; N115-S117 PolarHBondContact O-N 3.19Å; S117-R120 PolarHBondContact O-N 3.18Å; S117-Q121 WeakPolarHBondContact O-CG 3.45Å; S117-Q121 PolarHBondContact O-N 3.2Å
118V78.3Confident73.5Confident61 Ų6161.8 Ų61.837%0.3737%0.367SS..Hα-helixtrans-65.2-48178.5175.90000110.5G114 N115 R120 Q121 L122G114-V118 WeakPolarHBondContact O-CG2 3.37Å; G114-V118 PolarHBondContact O-N 3.48Å; N115-V118 PolarHBondContact O-N 3.27Å; V118-R120 VanDerWaalsContact C-N 3.3Å; V118-R120 PolarHBondContact O-N 3.45Å; V118-Q121 PolarHBondContact O-N 2.78Å; V118-L122 HydrophobicContact CG1-CD1 3.77Å; V118-L122 HydrophobicContact CG1-CG 4.34Å; V118-L122 WeakPolarHBondContact O-CB 3.42Å; V118-L122 VanDerWaalsContact O-CG 3.25Å; V118-L122 WeakPolarHBondContact O-CG 3.06Å; V118-L122 PolarHBondContact O-N 3.43Å
119I81.2Confident74.4Confident11 Ų1167.4 Ų67.46%0.05639%0.392CS..Hα-helixtrans-61.9-40.1177.2-61.7161.8000110L103 Q104 M107 N115 L122 F123 L143L103-I119 HydrophobicContact CB-CG2 4.01Å; L103-I119 HydrophobicContact CD1-CG2 4.3Å; Q104-I119 HydrophobicContact CG-CD1 4.24Å; Q104-I119 HydrophobicContact CG-CG2 4.43Å; M107-I119 HydrophobicContact CB-CD1 4.16Å; M107-I119 HydrophobicContact CG-CD1 3.86Å; M107-I119 HydrophobicContact CG-CG1 3.81Å; N115-I119 HydrophobicContact CB-CD1 4.16Å; N115-I119 WeakPolarHBondContact O-CB 3.27Å; N115-I119 WeakPolarHBondContact O-CD1 3.41Å; N115-I119 WeakPolarHBondContact O-CG1 3.38Å; N115-I119 PolarHBondContact O-N 2.8Å; I119-L122 PolarHBondContact O-N 3.24Å; I119-F123 WeakPolarHBondContact O-CB 3.37Å; I119-F123 PolarHBondContact O-N 2.91Å; I119-L143 HydrophobicContact CB-CD2 4.12Å; I119-L143 HydrophobicContact CG2-CD2 3.57Å
120R84.4Confident75.4Confident48 Ų4869.1 Ų69.118%0.18139%0.386CS..Hα-helixtrans-59.9-49.9176.5179.9-177.5-78.2103.25.4111.1E116 S117 V118 F123 L124 E139 L143E116-R120 WeakPolarHBondContact O-CB 3.11Å; E116-R120 PolarHBondContact O-N 2.89Å; E116-R120 IonicContact OE1-CZ 3.78Å; E116-R120 IonicContact OE1-NH1 3.25Å; E116-R120 IonicContact OE1-NH2 3.9Å; E116-R120 PolarHBondContact OE1-NH2 3.44Å; S117-R120 PolarHBondContact O-N 3.18Å; V118-R120 VanDerWaalsContact C-N 3.3Å; V118-R120 PolarHBondContact O-N 3.45Å; R120-F123 PolarHBondContact O-N 3.4Å; R120-L124 HydrophobicContact CG-CD1 4.16Å; R120-L124 WeakPolarHBondContact O-CG 3.41Å; R120-L124 PolarHBondContact O-N 3.05Å; R120-E139 PolarHBondContact NE-O 3.3Å; R120-L143 HydrophobicContact CB-CD1 4.13Å; R120-L143 HydrophobicContact CG-CD1 4.28Å
121Q82.4Confident77Confident126 Ų12666.3 Ų66.359%0.58936%0.355SS*.Hα-helixtrans-63.1-43.7178.7-73.3176.2-16.700112.3S117 V118 L124 S125S117-Q121 WeakPolarHBondContact O-CG 3.45Å; S117-Q121 PolarHBondContact O-N 3.2Å; V118-Q121 PolarHBondContact O-N 2.78Å; Q121-L124 PolarHBondContact O-N 2.92Å; Q121-S125 WeakPolarHBondContact O-CB 3.5Å; Q121-S125 PolarHBondContact O-N 3.25Å; Q121-S125 PolarHBondContact O-OG 3.12Å
122L81.2Confident78.8Confident36 Ų3663.9 Ų63.919%0.18834%0.341CS..Hα-helixtrans-63.6-43.4175.7-70.4173000111.7I86 L103 V118 I119 S125 R126I86-L122 HydrophobicContact CD1-CD1 3.57Å; I86-L122 HydrophobicContact CG1-CD1 3.93Å; I86-L122 HydrophobicContact CG2-CD1 3.84Å; I86-L122 HydrophobicContact CG2-CD2 3.55Å; I86-L122 HydrophobicContact CG2-CG 4.3Å; L103-L122 HydrophobicContact CD1-CB 4.45Å; V118-L122 HydrophobicContact CG1-CD1 3.77Å; V118-L122 HydrophobicContact CG1-CG 4.34Å; V118-L122 WeakPolarHBondContact O-CB 3.42Å; V118-L122 VanDerWaalsContact O-CG 3.25Å; V118-L122 WeakPolarHBondContact O-CG 3.06Å; V118-L122 PolarHBondContact O-N 3.43Å; I119-L122 PolarHBondContact O-N 3.24Å; L122-S125 WeakPolarHBondContact CA-OG 3.42Å; L122-S125 PolarHBondContact O-N 3.18Å; L122-S125 PolarHBondContact O-OG 3.45Å; L122-R126 WeakPolarHBondContact O-CG 3.41Å; L122-R126 PolarHBondContact O-N 2.97Å
123F86.6Confident80.3Confident0 Ų063.1 Ų63.10%033%0.332CS..Hα-helixtrans-59.5-50.4176.8-179.5-111000111.5P96 F99 L100 L103 I119 R120 R126 L127 L143 L146 A147 A150P96-F123 HydrophobicContact CB-CE2 3.83Å; P96-F123 HydrophobicContact CB-CZ 3.63Å; P96-F123 VanDerWaalsContact O-CE2 3.26Å; P96-F123 WeakPolarHBondContact O-CE2 3.45Å; F99-F123 AromaticContact CD1-CD2 3.64Å; F99-F123 HydrophobicContact CD1-CD2 3.64Å; F99-F123 AromaticContact CD1-CE2 3.9Å; F99-F123 HydrophobicContact CD1-CE2 3.9Å; F99-F123 AromaticContact CE1-CD2 3.94Å; F99-F123 HydrophobicContact CE1-CD2 3.94Å; L100-F123 HydrophobicContact CB-CD2 4.26Å; L100-F123 HydrophobicContact CB-CE2 4.09Å; L100-F123 HydrophobicContact CD1-CB 4.09Å; L100-F123 HydrophobicContact CD1-CD1 3.95Å; L100-F123 HydrophobicContact CD1-CD2 3.54Å; L100-F123 HydrophobicContact CD1-CE1 4.24Å; L100-F123 HydrophobicContact CD1-CE2 3.87Å; L100-F123 HydrophobicContact CD1-CG 3.57Å; L100-F123 HydrophobicContact CD1-CZ 4.19Å; L103-F123 HydrophobicContact CD1-CB 4.18Å; L103-F123 HydrophobicContact CD1-CD2 4.48Å; I119-F123 WeakPolarHBondContact O-CB 3.37Å; I119-F123 PolarHBondContact O-N 2.91Å; R120-F123 PolarHBondContact O-N 3.4Å; F123-R126 PolarHBondContact O-N 3.48Å; F123-L127 HydrophobicContact CD1-CD1 4.16Å; F123-L127 HydrophobicContact CE1-CD1 3.72Å; F123-L127 HydrophobicContact CE2-CD2 4.41Å; F123-L127 HydrophobicContact CZ-CD1 3.97Å; F123-L127 HydrophobicContact CZ-CD2 4.3Å; F123-L127 HydrophobicContact CZ-CG 4.46Å; F123-L127 WeakPolarHBondContact O-CG 3.03Å; F123-L127 PolarHBondContact O-N 3.5Å; F123-L143 HydrophobicContact CB-CD1 4.37Å; F123-L143 HydrophobicContact CD1-CD1 3.95Å; F123-L143 HydrophobicContact CG-CD1 4.36Å; F123-L146 HydrophobicContact CD1-CD2 3.85Å; F123-L146 HydrophobicContact CE1-CD2 3.44Å; F123-L146 VanDerWaalsContact CE1-CD2 3.44Å; F123-A147 HydrophobicContact CE1-CB 4.15Å; F123-A147 HydrophobicContact CE2-CB 4.31Å; F123-A147 HydrophobicContact CZ-CB 3.63Å; F123-A150 HydrophobicContact CZ-CB 4.29Å
124L85.5Confident81.9Confident32 Ų3256.5 Ų56.517%0.16831%0.308CS..Hα-helixtrans-63.6-45.7179.8-69.3175.2000112R120 Q121 R126 L127 Q132 E139 L146R120-L124 HydrophobicContact CG-CD1 4.16Å; R120-L124 WeakPolarHBondContact O-CG 3.41Å; R120-L124 PolarHBondContact O-N 3.05Å; Q121-L124 PolarHBondContact O-N 2.92Å; L124-R126 PolarHBondContact O-N 2.68Å; L124-L127 HydrophobicContact CD2-CD1 4.49Å; L124-L127 PolarHBondContact O-N 3.05Å; L124-Q132 VanDerWaalsContact O-CG 3.3Å; L124-Q132 WeakPolarHBondContact O-CG 3.37Å; L124-Q132 PolarHBondContact O-NE2 2.79Å; L124-E139 HydrophobicContact CD1-CG 4.39Å; L124-L146 HydrophobicContact CD2-CD1 4.45Å; L124-L146 HydrophobicContact CD2-CD2 3.91Å
125S83.8Confident83.2Confident75 Ų7554.4 Ų54.452%0.52429%0.286SS..Hα-helixtrans-62.8-25.5-178.362.40000114Q121 L122Q121-S125 WeakPolarHBondContact O-CB 3.5Å; Q121-S125 PolarHBondContact O-N 3.25Å; Q121-S125 PolarHBondContact O-OG 3.12Å; L122-S125 WeakPolarHBondContact CA-OG 3.42Å; L122-S125 PolarHBondContact O-N 3.18Å; L122-S125 PolarHBondContact O-OG 3.45Å
126R83.4Confident83.8Confident98 Ų9859 Ų5937%0.3731%0.31SS..Hα-helixtrans-91-10.1-179.8-62.3-67.8-169.9-177.77.4113.8I86 T87 F99 L122 F123 L124I86-R126 PolarHBondContact O-NH2 2.83Å; T87-R126 PolarHBondContact O-NH2 2.88Å; F99-R126 HydrophobicContact CE1-CB 3.76Å; F99-R126 HydrophobicContact CE1-CG 4.26Å; F99-R126 HydrophobicContact CZ-CB 3.78Å; F99-R126 HydrophobicContact CZ-CG 3.88Å; L122-R126 WeakPolarHBondContact O-CG 3.41Å; L122-R126 PolarHBondContact O-N 2.97Å; F123-R126 PolarHBondContact O-N 3.48Å; L124-R126 PolarHBondContact O-N 2.68Å
127L85Confident84.2Confident6 Ų660.1 Ų60.13%0.03132%0.324CS..SBendtrans-77.7153176.3-70.4173.1000111.7L91 P96 F123 L124 V131 Q132 L135 A150L91-L127 HydrophobicContact CD2-CD2 4.08Å; P96-L127 HydrophobicContact CB-CD2 3.93Å; P96-L127 HydrophobicContact CG-CD2 3.73Å; F123-L127 HydrophobicContact CD1-CD1 4.16Å; F123-L127 HydrophobicContact CE1-CD1 3.72Å; F123-L127 HydrophobicContact CE2-CD2 4.41Å; F123-L127 HydrophobicContact CZ-CD1 3.97Å; F123-L127 HydrophobicContact CZ-CD2 4.3Å; F123-L127 HydrophobicContact CZ-CG 4.46Å; F123-L127 WeakPolarHBondContact O-CG 3.03Å; F123-L127 PolarHBondContact O-N 3.5Å; L124-L127 HydrophobicContact CD2-CD1 4.49Å; L124-L127 PolarHBondContact O-N 3.05Å; L127-V131 HydrophobicContact CD1-CG1 4.2Å; L127-Q132 HydrophobicContact CB-CG 3.93Å; L127-Q132 PolarHBondContact O-NE2 2.77Å; L127-L135 HydrophobicContact CD1-CD1 3.74Å; L127-A150 HydrophobicContact CD1-CB 4.24Å; L127-A150 HydrophobicContact CD2-CB 4.45Å
128P84.5Confident84.6Confident43 Ų4361.4 Ų61.428%0.27932%0.323SS..  trans-60.1141.4170.9-2435000111.8L91 Q130 V131 Q132 L154L91-P128 HydrophobicContact CD2-CG 4.44Å; P128-Q130 PolarHBondContact O-N 3.41Å; P128-V131 HydrophobicContact CB-CG2 4.39Å; P128-V131 WeakPolarHBondContact O-CA 3.4Å; P128-V131 WeakPolarHBondContact O-CB 3.38Å; P128-V131 PolarHBondContact O-N 3.04Å; P128-Q132 PolarHBondContact O-N 2.99Å; P128-Q132 VanDerWaalsContact O-N 3.1Å; P128-L154 HydrophobicContact CG-CD2 4.25Å
129H84.6Confident84.7Confident139 Ų13962.8 Ų62.864%0.64433%0.325SS*.Hα-helixtrans-49.2-40.4-175.6179.662.3000114V131 Q132 T133H129-V131 VanDerWaalsContact C-N 3.3Å; H129-V131 PolarHBondContact O-N 3.35Å; H129-Q132 WeakPolarHBondContact O-CB 3.24Å; H129-Q132 PolarHBondContact O-N 2.98Å; H129-T133 PolarHBondContact O-N 2.73Å; H129-T133 PolarHBondContact O-OG1 2.99Å; H129-T133 VanDerWaalsContact O-OG1 3.06Å
130Q83.1Confident84.6Confident118 Ų11871.6 Ų71.655%0.55137%0.366SS*.Hα-helixtrans-60.7-38.7178.3-63.8172.72.200112.8P128 A134 R157P128-Q130 PolarHBondContact O-N 3.41Å; Q130-A134 PolarHBondContact O-N 3.29Å; Q130-R157 VanDerWaalsContact OE1-CZ 3.23Å
131V87.6Confident84.5Confident6 Ų672.4 Ų72.44%0.03637%0.371CS..Hα-helixtrans-73.2-40.8178-1780000109.7L127 P128 H129 T133 A134 L135 A150 L153 L154L127-V131 HydrophobicContact CD1-CG1 4.2Å; P128-V131 HydrophobicContact CB-CG2 4.39Å; P128-V131 WeakPolarHBondContact O-CA 3.4Å; P128-V131 WeakPolarHBondContact O-CB 3.38Å; P128-V131 PolarHBondContact O-N 3.04Å; H129-V131 VanDerWaalsContact C-N 3.3Å; H129-V131 PolarHBondContact O-N 3.35Å; V131-T133 PolarHBondContact O-N 2.92Å; V131-A134 PolarHBondContact O-N 3.07Å; V131-L135 HydrophobicContact CG1-CD1 3.66Å; V131-L135 HydrophobicContact CG1-CG 4.33Å; V131-L135 WeakPolarHBondContact O-CB 3.11Å; V131-L135 WeakPolarHBondContact O-CD1 2.89Å; V131-L135 WeakPolarHBondContact O-CG 3.28Å; V131-L135 PolarHBondContact O-N 3.01Å; V131-A150 HydrophobicContact CG1-CB 3.94Å; V131-L153 HydrophobicContact CG1-CB 4.39Å; V131-L153 HydrophobicContact CG1-CD1 4.16Å; V131-L154 HydrophobicContact CG2-CD2 3.71Å; V131-L154 HydrophobicContact CG2-CG 3.95Å
132Q88.1Confident84.7Confident64 Ų6470.1 Ų70.130%0.29937%0.367SS..Hα-helixtrans-56.7-49.3174.8-61.6179.615.300111.6L124 L127 P128 H129 A134 L135 L136L124-Q132 VanDerWaalsContact O-CG 3.3Å; L124-Q132 WeakPolarHBondContact O-CG 3.37Å; L124-Q132 PolarHBondContact O-NE2 2.79Å; L127-Q132 HydrophobicContact CB-CG 3.93Å; L127-Q132 PolarHBondContact O-NE2 2.77Å; P128-Q132 PolarHBondContact O-N 2.99Å; P128-Q132 VanDerWaalsContact O-N 3.1Å; H129-Q132 WeakPolarHBondContact O-CB 3.24Å; H129-Q132 PolarHBondContact O-N 2.98Å; Q132-A134 VanDerWaalsContact C-N 3.32Å; Q132-A134 PolarHBondContact O-N 3.48Å; Q132-L135 PolarHBondContact O-N 2.81Å; Q132-L135 VanDerWaalsContact O-N 3.07Å; Q132-L136 PolarHBondContact O-N 2.74Å; Q132-L136 VanDerWaalsContact O-N 3.09Å
133T86.8Confident84.8Confident78 Ų7868.7 Ų68.748%0.47936%0.36SS..Hα-helixtrans-62.4-38.9-179.6-54.40000112.3H129 V131 L135 L136H129-T133 PolarHBondContact O-N 2.73Å; H129-T133 PolarHBondContact O-OG1 2.99Å; H129-T133 VanDerWaalsContact O-OG1 3.06Å; V131-T133 PolarHBondContact O-N 2.92Å; T133-L135 VanDerWaalsContact C-N 3.27Å; T133-L135 PolarHBondContact O-N 2.84Å; T133-L136 WeakPolarHBondContact O-CB 3.32Å; T133-L136 PolarHBondContact O-N 3.02Å
134A87.1Confident84.8Confident41 Ų4171.6 Ų71.634%0.33938%0.383SS..Hα-helixtrans-70.3-23.2176.900000113.3Q130 V131 Q132 L153Q130-A134 PolarHBondContact O-N 3.29Å; V131-A134 PolarHBondContact O-N 3.07Å; Q132-A134 VanDerWaalsContact C-N 3.32Å; Q132-A134 PolarHBondContact O-N 3.48Å; A134-L153 HydrophobicContact CB-CD1 3.62Å; A134-L153 HydrophobicContact CB-CD2 4.19Å
135L88.1Confident84.9Confident2 Ų273.6 Ų73.61%0.0139%0.392CS..Hα-helixtrans-91-13.4178.6-68168.9000113.7L127 V131 Q132 T133 P137 F138 E139 L146 L149 A150 L153L127-L135 HydrophobicContact CD1-CD1 3.74Å; V131-L135 HydrophobicContact CG1-CD1 3.66Å; V131-L135 HydrophobicContact CG1-CG 4.33Å; V131-L135 WeakPolarHBondContact O-CB 3.11Å; V131-L135 WeakPolarHBondContact O-CD1 2.89Å; V131-L135 WeakPolarHBondContact O-CG 3.28Å; V131-L135 PolarHBondContact O-N 3.01Å; Q132-L135 PolarHBondContact O-N 2.81Å; Q132-L135 VanDerWaalsContact O-N 3.07Å; T133-L135 VanDerWaalsContact C-N 3.27Å; T133-L135 PolarHBondContact O-N 2.84Å; L135-P137 VanDerWaalsContact C-CD 3.41Å; L135-P137 VanDerWaalsContact C-N 3.34Å; L135-F138 CarbonylContact O-C 3.55Å; L135-F138 WeakPolarHBondContact O-CA 3.3Å; L135-F138 WeakPolarHBondContact O-CB 3.46Å; L135-F138 PolarHBondContact O-N 3.48Å; L135-E139 PolarHBondContact O-N 3.36Å; L135-L146 HydrophobicContact CD1-CD2 3.75Å; L135-L146 HydrophobicContact CD2-CD2 4.29Å; L135-L146 HydrophobicContact CD2-CG 4.31Å; L135-L146 HydrophobicContact CG-CD2 4.41Å; L135-L149 HydrophobicContact CD2-CB 3.65Å; L135-L149 HydrophobicContact CD2-CD1 4.45Å; L135-A150 HydrophobicContact CD1-CB 3.82Å; L135-L153 HydrophobicContact CD2-CD1 4.09Å; L135-L153 HydrophobicContact CG-CD1 4.11Å
136L84Confident85.1Confident116 Ų11670 Ų7061%0.60737%0.367SS*.G310 helixtrans-51-42.3-179.4-169.870.7000113.9Q132 T133 F138 E139Q132-L136 PolarHBondContact O-N 2.74Å; Q132-L136 VanDerWaalsContact O-N 3.09Å; T133-L136 WeakPolarHBondContact O-CB 3.32Å; T133-L136 PolarHBondContact O-N 3.02Å; L136-F138 PolarHBondContact O-N 3.07Å; L136-F138 VanDerWaalsContact O-N 3.12Å; L136-E139 PolarHBondContact O-N 3.26Å
137P85.9Confident85.4Confident106 Ų10665.4 Ų65.469%0.68835%0.349SS*.G310 helixtrans-68.1-10.1176.7-19.234.1000114.5L135L135-P137 VanDerWaalsContact C-CD 3.41Å; L135-P137 VanDerWaalsContact C-N 3.34Å
138F85.5Confident85.6Confident83 Ų8372.3 Ų72.336%0.36438%0.375SS..G310 helixtrans-116.811.9-172-61.1-64.3000112.5L135 L136 E140 K141 L149L135-F138 CarbonylContact O-C 3.55Å; L135-F138 WeakPolarHBondContact O-CA 3.3Å; L135-F138 WeakPolarHBondContact O-CB 3.46Å; L135-F138 PolarHBondContact O-N 3.48Å; L136-F138 PolarHBondContact O-N 3.07Å; L136-F138 VanDerWaalsContact O-N 3.12Å; F138-E140 PolarHBondContact O-N 3.1Å; F138-K141 HydrophobicContact CB-CD 4.03Å; F138-K141 HydrophobicContact CD1-CD 3.81Å; F138-K141 HydrophobicContact CG-CD 4.29Å; F138-K141 VanDerWaalsContact O-CB 3.31Å; F138-K141 WeakPolarHBondContact O-CB 3.02Å; F138-K141 PolarHBondContact O-N 3.45Å; F138-L149 HydrophobicContact CB-CD1 4.21Å; F138-L149 HydrophobicContact CD1-CD1 4.33Å; F138-L149 HydrophobicContact CD2-CD1 4.12Å; F138-L149 HydrophobicContact CG-CD1 3.95Å
139E80.1Confident85.8Confident91 Ų9172.3 Ų72.343%0.42537%0.373SS..THydrogen-bonded Turntrans-59.4-30.8-173.5-170.6171.8-174.800113.4R120 L124 L135 L136 K141R120-E139 PolarHBondContact NE-O 3.3Å; L124-E139 HydrophobicContact CD1-CG 4.39Å; L135-E139 PolarHBondContact O-N 3.36Å; L136-E139 PolarHBondContact O-N 3.26Å; E139-K141 VanDerWaalsContact C-N 3.29Å; E139-K141 PolarHBondContact O-N 3Å
140E78.6Confident86.1Confident196 Ų19665.7 Ų65.792%0.91634%0.342SS*.THydrogen-bonded Turntrans-75.5-12.2178.2-60.9-175.3171.200114F138F138-E140 PolarHBondContact O-N 3.1Å
141K83.5Confident86.4Confident65 Ų6561.8 Ų61.828%0.28333%0.325SS..SBendtrans-67.8155.5-179.7-77.2-179.3167.5-840111.5F138 E139 L143 E145 L149F138-K141 HydrophobicContact CB-CD 4.03Å; F138-K141 HydrophobicContact CD1-CD 3.81Å; F138-K141 HydrophobicContact CG-CD 4.29Å; F138-K141 VanDerWaalsContact O-CB 3.31Å; F138-K141 WeakPolarHBondContact O-CB 3.02Å; F138-K141 PolarHBondContact O-N 3.45Å; E139-K141 VanDerWaalsContact C-N 3.29Å; E139-K141 PolarHBondContact O-N 3Å; K141-L143 PolarHBondContact O-N 3.07Å; K141-E145 HydrophobicContact CD-CG 4.42Å; K141-E145 IonicContact NZ-OE1 2.77Å; K141-E145 PolarHBondContact NZ-OE1 2.98Å; K141-E145 IonicContact NZ-OE2 3.16Å; K141-E145 PolarHBondContact NZ-OE2 3.46Å; K141-E145 VanDerWaalsContact NZ-OE2 3.13Å; K141-L149 HydrophobicContact CD-CD1 4.33Å
142P85.3Confident86.4Confident77 Ų7768.7 Ų68.750%0.535%0.35SS..  trans-57.5138.6172.624.8-34.1000109.7A144 E145 L146P142-A144 PolarHBondContact O-N 3.11Å; P142-A144 VanDerWaalsContact O-N 3.07Å; P142-E145 HydrophobicContact CG-CB 3.97Å; P142-E145 WeakPolarHBondContact O-CB 3.01Å; P142-E145 PolarHBondContact O-N 3.26Å; P142-L146 PolarHBondContact O-N 3.14Å; P142-L146 VanDerWaalsContact O-N 3.15Å
143L84.6Confident86.3Confident7 Ų768.5 Ų68.54%0.03735%0.351CS..Hα-helixtrans-57.2-32.1-169.8-173.561.3000113.5L100 I119 R120 F123 K141 L146 A147L100-L143 HydrophobicContact CD1-CD1 3.6Å; L100-L143 HydrophobicContact CD1-CD2 3.6Å; L100-L143 HydrophobicContact CD1-CG 3.29Å; L100-L143 HydrophobicContact CD2-CD2 4.4Å; L100-L143 HydrophobicContact CD2-CG 4.04Å; L100-L143 HydrophobicContact CG-CD2 4.27Å; L100-L143 HydrophobicContact CG-CG 4.13Å; I119-L143 HydrophobicContact CB-CD2 4.12Å; I119-L143 HydrophobicContact CG2-CD2 3.57Å; R120-L143 HydrophobicContact CB-CD1 4.13Å; R120-L143 HydrophobicContact CG-CD1 4.28Å; F123-L143 HydrophobicContact CB-CD1 4.37Å; F123-L143 HydrophobicContact CD1-CD1 3.95Å; F123-L143 HydrophobicContact CG-CD1 4.36Å; K141-L143 PolarHBondContact O-N 3.07Å; L143-L146 PolarHBondContact O-N 3.39Å; L143-A147 PolarHBondContact O-N 3.35Å
144A86.4Confident86.3Confident60 Ų6065.9 Ų65.950%0.49633%0.334SS..Hα-helixtrans-65-36.6174.100000113.4P142 R148P142-A144 PolarHBondContact O-N 3.11Å; P142-A144 VanDerWaalsContact O-N 3.07Å; A144-R148 WeakPolarHBondContact O-CG 3.4Å; A144-R148 PolarHBondContact O-N 3.31Å
145E87.3Confident86.2Confident74 Ų7466.5 Ų66.535%0.34634%0.339SS..Hα-helixtrans-73.2-41.4176.7-167.1-176.9175.800110.7K141 P142 A147 R148 L149K141-E145 HydrophobicContact CD-CG 4.42Å; K141-E145 IonicContact NZ-OE1 2.77Å; K141-E145 PolarHBondContact NZ-OE1 2.98Å; K141-E145 IonicContact NZ-OE2 3.16Å; K141-E145 PolarHBondContact NZ-OE2 3.46Å; K141-E145 VanDerWaalsContact NZ-OE2 3.13Å; P142-E145 HydrophobicContact CG-CB 3.97Å; P142-E145 WeakPolarHBondContact O-CB 3.01Å; P142-E145 PolarHBondContact O-N 3.26Å; E145-A147 VanDerWaalsContact C-N 3.29Å; E145-A147 PolarHBondContact O-N 2.75Å; E145-R148 WeakPolarHBondContact O-CB 3.04Å; E145-R148 PolarHBondContact O-N 2.81Å; E145-R148 VanDerWaalsContact O-N 3.12Å; E145-L149 PolarHBondContact O-N 3.21Å
146L88.6Confident85.9Confident0 Ų071.4 Ų71.40%037%0.365CS..Hα-helixtrans-58.1-42.7175.7-162.1157.7000110.9F123 L124 L135 P142 L143 R148 L149 A150F123-L146 HydrophobicContact CD1-CD2 3.85Å; F123-L146 HydrophobicContact CE1-CD2 3.44Å; F123-L146 VanDerWaalsContact CE1-CD2 3.44Å; L124-L146 HydrophobicContact CD2-CD1 4.45Å; L124-L146 HydrophobicContact CD2-CD2 3.91Å; L135-L146 HydrophobicContact CD1-CD2 3.75Å; L135-L146 HydrophobicContact CD2-CD2 4.29Å; L135-L146 HydrophobicContact CD2-CG 4.31Å; L135-L146 HydrophobicContact CG-CD2 4.41Å; P142-L146 PolarHBondContact O-N 3.14Å; P142-L146 VanDerWaalsContact O-N 3.15Å; L143-L146 PolarHBondContact O-N 3.39Å; L146-R148 PolarHBondContact O-N 3.49Å; L146-L149 PolarHBondContact O-N 3.14Å; L146-A150 PolarHBondContact O-N 3.2Å
147A88.9Confident85.5Confident1 Ų170.3 Ų70.31%0.00835%0.353CS..Hα-helixtrans-66.1-36.517600000113.4L100 F123 L143 E145 L149 A150 D151L100-A147 HydrophobicContact CB-CB 4.05Å; L100-A147 HydrophobicContact CD1-CB 4.23Å; L100-A147 HydrophobicContact CD2-CB 4.17Å; L100-A147 HydrophobicContact CG-CB 4.37Å; F123-A147 HydrophobicContact CE1-CB 4.15Å; F123-A147 HydrophobicContact CE2-CB 4.31Å; F123-A147 HydrophobicContact CZ-CB 3.63Å; L143-A147 PolarHBondContact O-N 3.35Å; E145-A147 VanDerWaalsContact C-N 3.29Å; E145-A147 PolarHBondContact O-N 2.75Å; A147-L149 VanDerWaalsContact C-N 3.34Å; A147-A150 WeakPolarHBondContact O-CB 3.28Å; A147-A150 PolarHBondContact O-N 3.14Å; A147-D151 VanDerWaalsContact O-CG 3.28Å; A147-D151 PolarHBondContact O-N 2.95Å
148R89.4Confident84.9Confident152 Ų15271 Ų7157%0.57435%0.346SS*.Hα-helixtrans-66.5-35.1173.5-71.7179.970.6-171.13.9112.6A144 E145 L146 R152A144-R148 WeakPolarHBondContact O-CG 3.4Å; A144-R148 PolarHBondContact O-N 3.31Å; E145-R148 WeakPolarHBondContact O-CB 3.04Å; E145-R148 PolarHBondContact O-N 2.81Å; E145-R148 VanDerWaalsContact O-N 3.12Å; L146-R148 PolarHBondContact O-N 3.49Å; R148-R152 WeakPolarHBondContact O-CG 3.17Å; R148-R152 PolarHBondContact O-N 3.2Å
149L89.4Confident84.1Confident43 Ų4370.6 Ų70.623%0.22535%0.354CS..Hα-helixtrans-66.5-43.7172.7-69.8175.7000110.6L135 F138 K141 E145 L146 A147 D151 R152 L153L135-L149 HydrophobicContact CD2-CB 3.65Å; L135-L149 HydrophobicContact CD2-CD1 4.45Å; F138-L149 HydrophobicContact CB-CD1 4.21Å; F138-L149 HydrophobicContact CD1-CD1 4.33Å; F138-L149 HydrophobicContact CD2-CD1 4.12Å; F138-L149 HydrophobicContact CG-CD1 3.95Å; K141-L149 HydrophobicContact CD-CD1 4.33Å; E145-L149 PolarHBondContact O-N 3.21Å; L146-L149 PolarHBondContact O-N 3.14Å; A147-L149 VanDerWaalsContact C-N 3.34Å; L149-D151 PolarHBondContact O-N 2.87Å; L149-R152 PolarHBondContact O-N 3.38Å; L149-L153 WeakPolarHBondContact O-CG 3.5Å; L149-L153 PolarHBondContact O-N 3.42Å
150A89Confident83.3Confident0 Ų073.3 Ų73.30%037%0.367CS..Hα-helixtrans-59.2-43.8175.700000112.4P96 F123 L127 V131 L135 L146 A147 R152 L153 L154P96-A150 HydrophobicContact CB-CB 3.59Å; P96-A150 HydrophobicContact CG-CB 3.71Å; F123-A150 HydrophobicContact CZ-CB 4.29Å; L127-A150 HydrophobicContact CD1-CB 4.24Å; L127-A150 HydrophobicContact CD2-CB 4.45Å; V131-A150 HydrophobicContact CG1-CB 3.94Å; L135-A150 HydrophobicContact CD1-CB 3.82Å; L146-A150 PolarHBondContact O-N 3.2Å; A147-A150 WeakPolarHBondContact O-CB 3.28Å; A147-A150 PolarHBondContact O-N 3.14Å; A150-R152 VanDerWaalsContact C-N 3.33Å; A150-R152 PolarHBondContact O-N 3.39Å; A150-L153 PolarHBondContact O-N 3.16Å; A150-L154 PolarHBondContact O-N 3.32Å
151D90.4Very high82.4Confident35 Ų3570.6 Ų70.619%0.18736%0.358CS..Hα-helixtrans-56.1-47174.7-70-14.6000111.7P95 P96 S97 A147 L149 L154 A155P95-D151 WeakPolarHBondContact CB-OD1 3.38Å; P96-D151 WeakPolarHBondContact CA-OD1 3.03Å; P96-D151 WeakPolarHBondContact CB-OD1 2.96Å; P96-D151 WeakPolarHBondContact CD-OD1 3.44Å; S97-D151 WeakPolarHBondContact CB-OD2 3.01Å; S97-D151 PolarHBondContact N-OD1 3.27Å; S97-D151 PolarHBondContact OG-OD1 3.3Å; S97-D151 PolarHBondContact OG-OD2 2.76Å; A147-D151 VanDerWaalsContact O-CG 3.28Å; A147-D151 PolarHBondContact O-N 2.95Å; L149-D151 PolarHBondContact O-N 2.87Å; D151-L154 PolarHBondContact O-N 3.33Å; D151-A155 WeakPolarHBondContact O-CB 3.33Å; D151-A155 PolarHBondContact O-N 3.08Å
152R87.1Confident81.2Confident152 Ų15272.6 Ų72.657%0.57438%0.38SS*.Hα-helixtrans-64.3-41.9179.6-71.5174.8179.1-176.2-0.9111.4R148 L149 A150 A155 L156R148-R152 WeakPolarHBondContact O-CG 3.17Å; R148-R152 PolarHBondContact O-N 3.2Å; L149-R152 PolarHBondContact O-N 3.38Å; A150-R152 VanDerWaalsContact C-N 3.33Å; A150-R152 PolarHBondContact O-N 3.39Å; R152-A155 PolarHBondContact O-N 3.41Å; R152-L156 WeakPolarHBondContact O-CB 3.38Å; R152-L156 VanDerWaalsContact O-CG 3.24Å; R152-L156 WeakPolarHBondContact O-CG 3.14Å; R152-L156 PolarHBondContact O-N 2.71Å
153L87.5Confident79.2Confident60 Ų6071.5 Ų71.531%0.31438%0.377SS..Hα-helixtrans-63.5-41.2178.4-72169.5000111.9V131 A134 L135 L149 A150 R157V131-L153 HydrophobicContact CG1-CB 4.39Å; V131-L153 HydrophobicContact CG1-CD1 4.16Å; A134-L153 HydrophobicContact CB-CD1 3.62Å; A134-L153 HydrophobicContact CB-CD2 4.19Å; L135-L153 HydrophobicContact CD2-CD1 4.09Å; L135-L153 HydrophobicContact CG-CD1 4.11Å; L149-L153 WeakPolarHBondContact O-CG 3.5Å; L149-L153 PolarHBondContact O-N 3.42Å; A150-L153 PolarHBondContact O-N 3.16Å; L153-R157 PolarHBondContact O-N 3.5Å
154L85.9Confident77.2Confident22 Ų2276 Ų7612%0.11541%0.41CS..Hα-helixtrans-69.2-43.3175.6-75.5172.7000112.3L91 P96 P128 V131 A150 D151 L156 R157 E158L91-L154 HydrophobicContact CD2-CD1 4.04Å; P96-L154 HydrophobicContact CG-CD1 3.29Å; P96-L154 HydrophobicContact CG-CG 4.44Å; P128-L154 HydrophobicContact CG-CD2 4.25Å; V131-L154 HydrophobicContact CG2-CD2 3.71Å; V131-L154 HydrophobicContact CG2-CG 3.95Å; A150-L154 PolarHBondContact O-N 3.32Å; D151-L154 PolarHBondContact O-N 3.33Å; L154-L156 VanDerWaalsContact C-N 3.3Å; L154-L156 PolarHBondContact O-N 3.23Å; L154-R157 WeakPolarHBondContact O-CB 3.5Å; L154-R157 PolarHBondContact O-N 2.74Å; L154-E158 PolarHBondContact O-N 3.22Å
155A84.6Confident75.2Confident54 Ų5477 Ų7745%0.44641%0.411SS..Hα-helixtrans-60.4-39.3177.100000112.3D151 R152 R157 E158 S159D151-A155 WeakPolarHBondContact O-CB 3.33Å; D151-A155 PolarHBondContact O-N 3.08Å; R152-A155 PolarHBondContact O-N 3.41Å; A155-R157 VanDerWaalsContact C-N 3.31Å; A155-R157 PolarHBondContact O-N 3.01Å; A155-E158 PolarHBondContact O-N 2.69Å; A155-S159 WeakPolarHBondContact O-CB 3.46Å; A155-S159 PolarHBondContact O-N 2.92Å
156L81.5Confident73Confident106 Ų10679.7 Ų79.756%0.55543%0.432SS*.Hα-helixtrans-62.7-38.7174-72.4172.1000111.7R152 L154 S159 Q160R152-L156 WeakPolarHBondContact O-CB 3.38Å; R152-L156 VanDerWaalsContact O-CG 3.24Å; R152-L156 WeakPolarHBondContact O-CG 3.14Å; R152-L156 PolarHBondContact O-N 2.71Å; L154-L156 VanDerWaalsContact C-N 3.3Å; L154-L156 PolarHBondContact O-N 3.23Å; L156-S159 PolarHBondContact O-N 2.94Å; L156-Q160 VanDerWaalsContact O-CG 3.25Å; L156-Q160 WeakPolarHBondContact O-CG 3.37Å; L156-Q160 PolarHBondContact O-N 2.79Å
157R76.1Confident70.8Confident93 Ų9387.8 Ų87.835%0.35146%0.464SS..Hα-helixtrans-69.9-43.2178-172.5-179.3178.3-165.80112.2Q130 L153 L154 A155 S159 Q160 L161Q130-R157 VanDerWaalsContact OE1-CZ 3.23Å; L153-R157 PolarHBondContact O-N 3.5Å; L154-R157 WeakPolarHBondContact O-CB 3.5Å; L154-R157 PolarHBondContact O-N 2.74Å; A155-R157 VanDerWaalsContact C-N 3.31Å; A155-R157 PolarHBondContact O-N 3.01Å; R157-S159 VanDerWaalsContact C-N 3.29Å; R157-S159 PolarHBondContact O-N 3.45Å; R157-Q160 PolarHBondContact O-N 3.39Å; R157-L161 HydrophobicContact CG-CD1 4.3Å; R157-L161 WeakPolarHBondContact O-CG 3.45Å; R157-L161 PolarHBondContact O-N 3.25Å
158E73.6Confident68.5Low119 Ų11991.5 Ų91.556%0.55649%0.494SS*.Hα-helixtrans-61.8-40.2174.9-71.5176-174.100111.2L154 A155 L161 S162L154-E158 PolarHBondContact O-N 3.22Å; A155-E158 PolarHBondContact O-N 2.69Å; E158-L161 PolarHBondContact O-N 3.16Å; E158-S162 WeakPolarHBondContact O-CB 3.4Å; E158-S162 PolarHBondContact O-N 3.32Å
159S67.7Low66.3Low76 Ų7688.3 Ų88.353%0.53149%0.492SS..Hα-helixtrans-64.3-39.3174.3-174.90000112.4A155 L156 R157 L161 S162 A163A155-S159 WeakPolarHBondContact O-CB 3.46Å; A155-S159 PolarHBondContact O-N 2.92Å; L156-S159 PolarHBondContact O-N 2.94Å; R157-S159 VanDerWaalsContact C-N 3.29Å; R157-S159 PolarHBondContact O-N 3.45Å; S159-L161 VanDerWaalsContact C-N 3.27Å; S159-L161 PolarHBondContact O-N 2.99Å; S159-S162 PolarHBondContact O-N 2.97Å; S159-A163 WeakPolarHBondContact O-CB 3.33Å; S159-A163 PolarHBondContact O-N 3.39Å
160Q63.4Low64.7Low147 Ų14789.6 Ų89.669%0.68750%0.502SS*.Hα-helixtrans-66.9-26.5174.8-74.5172.4900113.6L156 R157L156-Q160 VanDerWaalsContact O-CG 3.25Å; L156-Q160 WeakPolarHBondContact O-CG 3.37Å; L156-Q160 PolarHBondContact O-N 2.79Å; R157-Q160 PolarHBondContact O-N 3.39Å
161L61.3Low63.1Low139 Ų13996.9 Ų96.973%0.72854%0.536SS*.Hα-helixtrans-86.3-30.1177.5-68.1169.2000112.7R157 E158 S159R157-L161 HydrophobicContact CG-CD1 4.3Å; R157-L161 WeakPolarHBondContact O-CG 3.45Å; R157-L161 PolarHBondContact O-N 3.25Å; E158-L161 PolarHBondContact O-N 3.16Å; S159-L161 VanDerWaalsContact C-N 3.27Å; S159-L161 PolarHBondContact O-N 2.99Å
162S58.2Low61.7Low108 Ų10896.3 Ų96.376%0.75554%0.538SS*.Hα-helixtrans-93.1-23.3-178.3-156.10000113.3E158 S159 S164E158-S162 WeakPolarHBondContact O-CB 3.4Å; E158-S162 PolarHBondContact O-N 3.32Å; S159-S162 PolarHBondContact O-N 2.97Å; S162-S164 PolarHBondContact O-N 3.31Å; S162-S164 VanDerWaalsContact O-N 3.16Å
163A42.9Very low60.7Low53 Ų5393 Ų9344%0.43853%0.534SS..SBendtrans-68.4112.1164.100000108.1S159 P165S159-A163 WeakPolarHBondContact O-CB 3.33Å; S159-A163 PolarHBondContact O-N 3.39Å; A163-P165 VanDerWaalsContact O-N 3.16Å
164S41.2Very low59.9Low102 Ų10295.3 Ų95.371%0.71354%0.544SS*.  trans-38.2127.7157.5-82.50000107.2S162 V166S162-S164 PolarHBondContact O-N 3.31Å; S162-S164 VanDerWaalsContact O-N 3.16Å; S164-V166 PolarHBondContact O-N 2.97Å
165P44.9Very low59.4Low80 Ų8097 Ų9752%0.51956%0.561SS.*  trans-53.7108.9-178.222.7-31.8000106A163 Y167A163-P165 VanDerWaalsContact O-N 3.16Å; P165-Y167 HydrophobicContact CB-CE2 4.35Å; P165-Y167 HydrophobicContact CG-CD2 4.3Å; P165-Y167 HydrophobicContact CG-CE2 3.76Å; P165-Y167 VanDerWaalsContact O-CD2 3.26Å; P165-Y167 WeakPolarHBondContact O-CD2 3.35Å; P165-Y167 PolarHBondContact O-N 2.85Å
166V41.3Very low59.1Low131 Ų131103.7 Ų103.779%0.79457%0.574SS**  trans-64.498.6164.9176.80000101.3S164 A168S164-V166 PolarHBondContact O-N 2.97Å; V166-A168 PolarHBondContact O-N 3.16Å
167Y42.6Very low59.2Low170 Ų170104 Ų10467%0.66758%0.576SS**  trans-62.174.9165.7-71.4-87.4000105.9P165 T169P165-Y167 HydrophobicContact CB-CE2 4.35Å; P165-Y167 HydrophobicContact CG-CD2 4.3Å; P165-Y167 HydrophobicContact CG-CE2 3.76Å; P165-Y167 VanDerWaalsContact O-CD2 3.26Å; P165-Y167 WeakPolarHBondContact O-CD2 3.35Å; P165-Y167 PolarHBondContact O-N 2.85Å; Y167-T169 PolarHBondContact O-N 2.92Å
168A41Very low59.6Low79 Ų79103.8 Ų103.865%0.65358%0.582SS**  trans-68.476155.100000105.3V166 T170V166-A168 PolarHBondContact O-N 3.16Å; A168-T170 PolarHBondContact O-N 3.41Å
169T43.8Very low60.2Low85 Ų85101.7 Ų101.752%0.52157%0.574SS.*SBendtrans65.534.9153.1-34.40000116.3Y167 Q171 G172 V173Y167-T169 PolarHBondContact O-N 2.92Å; T169-Q171 PolarHBondContact O-N 3.21Å; T169-G172 PolarHBondContact O-N 3.41Å; T169-V173 WeakPolarHBondContact O-CB 3.44Å; T169-V173 VanDerWaalsContact O-CG2 3.24Å; T169-V173 WeakPolarHBondContact O-CG2 3.49Å; T169-V173 PolarHBondContact O-N 3.01Å
170T54.2Low61.1Low70 Ų70103.3 Ų103.343%0.42958%0.576SS.*Hα-helixtrans-61-39.3161.354.40000110.3A168 G172 V173 E174A168-T170 PolarHBondContact O-N 3.41Å; T170-G172 VanDerWaalsContact C-N 3.31Å; T170-G172 PolarHBondContact O-N 3.4Å; T170-V173 PolarHBondContact O-N 3.04Å; T170-E174 VanDerWaalsContact O-CB 3.29Å; T170-E174 WeakPolarHBondContact O-CB 3.43Å; T170-E174 VanDerWaalsContact O-CG 3.31Å; T170-E174 WeakPolarHBondContact O-CG 3.42Å; T170-E174 PolarHBondContact O-N 2.97Å
171Q55.9Low62.3Low153 Ų153100.5 Ų100.572%0.71556%0.564SS**Hα-helixtrans-60.8-35.5173.3-77.6-176.3-11.200113.6T169 A175T169-Q171 PolarHBondContact O-N 3.21Å; Q171-A175 WeakPolarHBondContact O-CB 3.47Å; Q171-A175 PolarHBondContact O-N 3.44Å
172G60.9Low63.5Low23 Ų23100.6 Ų100.624%0.23756%0.558CS.*Hα-helixtrans-82.6-25177.400000113T169 T170 R176T169-G172 PolarHBondContact O-N 3.41Å; T170-G172 VanDerWaalsContact C-N 3.31Å; T170-G172 PolarHBondContact O-N 3.4Å; G172-R176 WeakPolarHBondContact O-CB 3.22Å; G172-R176 WeakPolarHBondContact O-CD 3.43Å; G172-R176 WeakPolarHBondContact O-CG 3.12Å; G172-R176 PolarHBondContact O-N 3.13Å
173V66.4Low64.8Low82 Ų82100.5 Ų100.550%0.49754%0.544SS..Hα-helixtrans-73-44.9169.6176.90000109.9T169 T170 R176 L177T169-V173 WeakPolarHBondContact O-CB 3.44Å; T169-V173 VanDerWaalsContact O-CG2 3.24Å; T169-V173 WeakPolarHBondContact O-CG2 3.49Å; T169-V173 PolarHBondContact O-N 3.01Å; T170-V173 PolarHBondContact O-N 3.04Å; V173-R176 CarbonylContact O-C 3.59Å; V173-R176 PolarHBondContact O-N 3.48Å; V173-L177 WeakPolarHBondContact O-CB 3.43Å; V173-L177 PolarHBondContact O-N 2.99Å
174E70.4Confident66.9Low110 Ų110101.4 Ų101.451%0.51454%0.544SS..Hα-helixtrans-60.6-48.6173.4-74.9173.1175.900111.2T170 R176 L177 D178T170-E174 VanDerWaalsContact O-CB 3.29Å; T170-E174 WeakPolarHBondContact O-CB 3.43Å; T170-E174 VanDerWaalsContact O-CG 3.31Å; T170-E174 WeakPolarHBondContact O-CG 3.42Å; T170-E174 PolarHBondContact O-N 2.97Å; E174-R176 VanDerWaalsContact C-N 3.29Å; E174-R176 PolarHBondContact O-N 2.98Å; E174-L177 CarbonylContact O-C 3.59Å; E174-L177 WeakPolarHBondContact O-CB 3.25Å; E174-L177 PolarHBondContact O-N 3.26Å; E174-D178 PolarHBondContact O-N 3.41Å
175A75.2Confident69Low56 Ų56102.8 Ų102.846%0.46353%0.533SS..Hα-helixtrans-62.8-35.1176.100000112.7Q171 D179Q171-A175 WeakPolarHBondContact O-CB 3.47Å; Q171-A175 PolarHBondContact O-N 3.44Å; A175-D179 VanDerWaalsContact O-CB 3.24Å; A175-D179 WeakPolarHBondContact O-CB 3.28Å; A175-D179 PolarHBondContact O-N 3.46Å
176R78.2Confident70.6Confident195 Ų195104.7 Ų104.774%0.73654%0.535SS*.Hα-helixtrans-70.4-34.2172.6-77.9176.972.8-166.71.8112G172 V173 E174 L180G172-R176 WeakPolarHBondContact O-CB 3.22Å; G172-R176 WeakPolarHBondContact O-CD 3.43Å; G172-R176 WeakPolarHBondContact O-CG 3.12Å; G172-R176 PolarHBondContact O-N 3.13Å; V173-R176 CarbonylContact O-C 3.59Å; V173-R176 PolarHBondContact O-N 3.48Å; E174-R176 VanDerWaalsContact C-N 3.29Å; E174-R176 PolarHBondContact O-N 2.98Å; R176-L180 WeakPolarHBondContact O-CB 3.43Å; R176-L180 PolarHBondContact O-N 2.99Å
177L83.3Confident72.3Confident113 Ų113104.3 Ų104.359%0.59253%0.528SS*.Hα-helixtrans-70.5-43177.2-133.9132000110.3V173 E174 L180 E181V173-L177 WeakPolarHBondContact O-CB 3.43Å; V173-L177 PolarHBondContact O-N 2.99Å; E174-L177 CarbonylContact O-C 3.59Å; E174-L177 WeakPolarHBondContact O-CB 3.25Å; E174-L177 PolarHBondContact O-N 3.26Å; L177-L180 PolarHBondContact O-N 3.36Å; L177-E181 VanDerWaalsContact O-CB 3.29Å; L177-E181 WeakPolarHBondContact O-CB 2.97Å; L177-E181 PolarHBondContact O-N 2.95Å
178D84.1Confident74Confident88 Ų88100.5 Ų100.547%0.47152%0.519SS..Hα-helixtrans-64.3-42.2173.9-76.6-13.5000112.1E174 E181 K182E174-D178 PolarHBondContact O-N 3.41Å; D178-E181 PolarHBondContact O-N 2.95Å; D178-K182 WeakPolarHBondContact O-CB 3.32Å; D178-K182 WeakPolarHBondContact O-CG 3.27Å; D178-K182 PolarHBondContact O-N 3.1Å
179D87.9Confident75.5Confident75 Ų75103.1 Ų103.140%0.40152%0.521SS..Hα-helixtrans-65.2-40.7174.8-179.363.2000111.5A175 K182 K183A175-D179 VanDerWaalsContact O-CB 3.24Å; A175-D179 WeakPolarHBondContact O-CB 3.28Å; A175-D179 PolarHBondContact O-N 3.46Å; D179-K182 PolarHBondContact O-N 3.29Å; D179-K183 WeakPolarHBondContact O-CB 3.34Å; D179-K183 WeakPolarHBondContact O-CG 3.32Å; D179-K183 PolarHBondContact O-N 3.42Å; D179-K183 IonicContact OD1-NZ 3.79Å; D179-K183 VanDerWaalsContact OD2-CE 3.3Å; D179-K183 WeakPolarHBondContact OD2-CE 3.37Å; D179-K183 IonicContact OD2-NZ 2.67Å; D179-K183 PolarHBondContact OD2-NZ 3.44Å
180L86.3Confident76.4Confident110 Ų110105.8 Ų105.858%0.57653%0.527SS*.Hα-helixtrans-66.4-42.2175.5-162.872.8000111.1R176 L177 K183 V184R176-L180 WeakPolarHBondContact O-CB 3.43Å; R176-L180 PolarHBondContact O-N 2.99Å; L177-L180 PolarHBondContact O-N 3.36Å; L180-K183 PolarHBondContact O-N 2.98Å; L180-V184 VanDerWaalsContact O-CG2 3.3Å; L180-V184 WeakPolarHBondContact O-CG2 3.46Å; L180-V184 PolarHBondContact O-N 2.87Å
181E88.6Confident76.7Confident89 Ų89106.8 Ų106.842%0.41654%0.537SS..Hα-helixtrans-62.5-43176.5-163-164.7-162.600111.1L177 D178 V184 R185L177-E181 VanDerWaalsContact O-CB 3.29Å; L177-E181 WeakPolarHBondContact O-CB 2.97Å; L177-E181 PolarHBondContact O-N 2.95Å; D178-E181 PolarHBondContact O-N 2.95Å; E181-V184 PolarHBondContact O-N 3.44Å; E181-R185 VanDerWaalsContact CD-CZ 3.4Å; E181-R185 WeakPolarHBondContact O-CG 3.34Å; E181-R185 PolarHBondContact O-N 2.87Å; E181-R185 IonicContact OE1-CZ 2.84Å; E181-R185 VanDerWaalsContact OE1-CZ 3.3Å; E181-R185 IonicContact OE1-NH1 3.68Å; E181-R185 PolarHBondContact OE1-NH1 3.41Å; E181-R185 IonicContact OE1-NH2 2.98Å; E181-R185 PolarHBondContact OE1-NH2 3.21Å; E181-R185 IonicContact OE2-CZ 3.3Å; E181-R185 IonicContact OE2-NH1 3.44Å; E181-R185 PolarHBondContact OE2-NH1 2.99Å; E181-R185 IonicContact OE2-NH2 2.68Å; E181-R185 PolarHBondContact OE2-NH2 3.29Å
182K86.9Confident76.7Confident140 Ų140107.7 Ų107.761%0.60954%0.541SS*.Hα-helixtrans-61-44.2173.1-77.6174.5-176170.90112.1D178 D179 R185 Q186D178-K182 WeakPolarHBondContact O-CB 3.32Å; D178-K182 WeakPolarHBondContact O-CG 3.27Å; D178-K182 PolarHBondContact O-N 3.1Å; D179-K182 PolarHBondContact O-N 3.29Å; K182-R185 PolarHBondContact O-N 3.27Å; K182-Q186 PolarHBondContact O-N 3.33Å
183K85.6Confident76.1Confident106 Ų106109.3 Ų109.346%0.46156%0.557SS.*Hα-helixtrans-64.5-39.8177.3-77.4169.7178.4163.50112.3D179 L180 Q186 L187D179-K183 WeakPolarHBondContact O-CB 3.34Å; D179-K183 WeakPolarHBondContact O-CG 3.32Å; D179-K183 PolarHBondContact O-N 3.42Å; D179-K183 IonicContact OD1-NZ 3.79Å; D179-K183 VanDerWaalsContact OD2-CE 3.3Å; D179-K183 WeakPolarHBondContact OD2-CE 3.37Å; D179-K183 IonicContact OD2-NZ 2.67Å; D179-K183 PolarHBondContact OD2-NZ 3.44Å; L180-K183 PolarHBondContact O-N 2.98Å; K183-Q186 PolarHBondContact O-N 2.98Å; K183-L187 WeakPolarHBondContact O-CG 3.42Å; K183-L187 PolarHBondContact O-N 2.92Å
184V87.2Confident75Confident72 Ų72109.6 Ų109.644%0.43657%0.569SS.*Hα-helixtrans-65.3-44.7175.5171.80000110.8L180 E181 Q186 L187 I188L180-V184 VanDerWaalsContact O-CG2 3.3Å; L180-V184 WeakPolarHBondContact O-CG2 3.46Å; L180-V184 PolarHBondContact O-N 2.87Å; E181-V184 PolarHBondContact O-N 3.44Å; V184-Q186 VanDerWaalsContact C-N 3.31Å; V184-Q186 PolarHBondContact O-N 3.18Å; V184-L187 PolarHBondContact O-N 2.81Å; V184-I188 HydrophobicContact CG1-CD1 3.84Å; V184-I188 HydrophobicContact CG1-CG1 4.47Å; V184-I188 VanDerWaalsContact O-CG1 3.32Å; V184-I188 WeakPolarHBondContact O-CG1 3.48Å; V184-I188 PolarHBondContact O-N 3.35Å
185R83.5Confident73.8Confident131 Ų131109.4 Ų109.449%0.49458%0.577SS.*Hα-helixtrans-58.5-42.4173.9-74.5-176.9-179.4116.42.9111.9E181 K182 I188 L189E181-R185 VanDerWaalsContact CD-CZ 3.4Å; E181-R185 WeakPolarHBondContact O-CG 3.34Å; E181-R185 PolarHBondContact O-N 2.87Å; E181-R185 IonicContact OE1-CZ 2.84Å; E181-R185 VanDerWaalsContact OE1-CZ 3.3Å; E181-R185 IonicContact OE1-NH1 3.68Å; E181-R185 PolarHBondContact OE1-NH1 3.41Å; E181-R185 IonicContact OE1-NH2 2.98Å; E181-R185 PolarHBondContact OE1-NH2 3.21Å; E181-R185 IonicContact OE2-CZ 3.3Å; E181-R185 IonicContact OE2-NH1 3.44Å; E181-R185 PolarHBondContact OE2-NH1 2.99Å; E181-R185 IonicContact OE2-NH2 2.68Å; E181-R185 PolarHBondContact OE2-NH2 3.29Å; K182-R185 PolarHBondContact O-N 3.27Å; R185-I188 PolarHBondContact O-N 3.18Å; R185-L189 WeakPolarHBondContact O-CG 3.41Å; R185-L189 PolarHBondContact O-N 3.34Å; R185-L189 VanDerWaalsContact O-N 3.13Å
186Q80.2Confident72.3Confident120 Ų120118.6 Ų118.656%0.56160%0.6SS**Hα-helixtrans-65.5-40.8177.8-162.4173.710.200111.7K182 K183 V184 I188 L189 H190K182-Q186 PolarHBondContact O-N 3.33Å; K183-Q186 PolarHBondContact O-N 2.98Å; V184-Q186 VanDerWaalsContact C-N 3.31Å; V184-Q186 PolarHBondContact O-N 3.18Å; Q186-I188 PolarHBondContact O-N 2.93Å; Q186-L189 PolarHBondContact O-N 2.86Å; Q186-H190 PolarHBondContact O-CD2 3.31Å; Q186-H190 PolarHBondContact O-N 3.39Å; Q186-H190 VanDerWaalsContact O-N 3.07Å
187L76.9Confident70.7Confident123 Ų123120.5 Ų120.564%0.64461%0.607SS**Hα-helixtrans-63.5-41.2175.8-77.2164.2000112.7K183 V184 H190 S191K183-L187 WeakPolarHBondContact O-CG 3.42Å; K183-L187 PolarHBondContact O-N 2.92Å; V184-L187 PolarHBondContact O-N 2.81Å; L187-H190 PolarHBondContact O-N 3.05Å; L187-S191 WeakPolarHBondContact O-CB 3.42Å; L187-S191 PolarHBondContact O-N 3.07Å; L187-S191 PolarHBondContact O-OG 2.83Å
188I77.6Confident68.8Low91 Ų91127 Ų12747%0.46762%0.624SS.*Hα-helixtrans-61.1-49.1177.7-67.4166.3000110V184 R185 Q186 H190 S191 E192V184-I188 HydrophobicContact CG1-CD1 3.84Å; V184-I188 HydrophobicContact CG1-CG1 4.47Å; V184-I188 VanDerWaalsContact O-CG1 3.32Å; V184-I188 WeakPolarHBondContact O-CG1 3.48Å; V184-I188 PolarHBondContact O-N 3.35Å; R185-I188 PolarHBondContact O-N 3.18Å; Q186-I188 PolarHBondContact O-N 2.93Å; I188-H190 VanDerWaalsContact C-N 3.34Å; I188-H190 PolarHBondContact O-N 2.93Å; I188-S191 PolarHBondContact O-N 3.39Å; I188-S191 PolarHBondContact O-OG 3.01Å; I188-S191 VanDerWaalsContact O-OG 3.06Å; I188-E192 PolarHBondContact O-N 3.36Å
189L72.7Confident66.7Low134 Ų134128.2 Ų128.270%0.70264%0.639SS**Hα-helixtrans-63-34.7179.5-68.4172.8000113.6R185 Q186R185-L189 WeakPolarHBondContact O-CG 3.41Å; R185-L189 PolarHBondContact O-N 3.34Å; R185-L189 VanDerWaalsContact O-N 3.13Å; Q186-L189 PolarHBondContact O-N 2.86Å
190H62.9Low64.9Low141 Ų141130.4 Ų130.465%0.65366%0.66SS**Hα-helixtrans-81.5-19.5178.4-80.5-97.8000113.4Q186 L187 I188Q186-H190 PolarHBondContact O-CD2 3.31Å; Q186-H190 PolarHBondContact O-N 3.39Å; Q186-H190 VanDerWaalsContact O-N 3.07Å; L187-H190 PolarHBondContact O-N 3.05Å; I188-H190 VanDerWaalsContact C-N 3.34Å; I188-H190 PolarHBondContact O-N 2.93Å
191S59.3Low62.8Low90 Ų90131 Ų13163%0.62967%0.671SS**Hα-helixtrans-84-24.4-179.378.20000114.1L187 I188L187-S191 WeakPolarHBondContact O-CB 3.42Å; L187-S191 PolarHBondContact O-N 3.07Å; L187-S191 PolarHBondContact O-OG 2.83Å; I188-S191 PolarHBondContact O-N 3.39Å; I188-S191 PolarHBondContact O-OG 3.01Å; I188-S191 VanDerWaalsContact O-OG 3.06Å
192E57.1Low61Low173 Ų173131.2 Ų131.281%0.80869%0.688SS**SBendtrans-902.2-178.2-64.1-163.2143.700114.3I188I188-E192 PolarHBondContact O-N 3.36Å
193G48.3Very low58.9Low56 Ų56130 Ų13058%0.57769%0.694SS**  trans-116.910.4-166.600000118.4P195G193-P195 WeakPolarHBondContact O-CD 3.25Å
194A43.3Very low57.1Low89 Ų89130.2 Ų130.274%0.73670%0.704SS**  trans-99.496-173.300000114.1R196A194-R196 PolarHBondContact O-N 3.21Å
195P44.6Very low55Low106 Ų106134.5 Ų134.569%0.68872%0.719SS**  trans-75119.116530.7-31.3000109.4G193 R197G193-P195 WeakPolarHBondContact O-CD 3.25Å; P195-R197 PolarHBondContact O-N 2.65Å
196R43.2Very low52.7Low249 Ų249138.4 Ų138.494%0.9473%0.734SS**  trans-55.5106.6171.4-70.3-179.6171.1-150.7-3110.4A194A194-R196 PolarHBondContact O-N 3.21Å
197R44.3Very low50.8Low235 Ų235136.8 Ų136.889%0.88774%0.735SS**  trans-98.1109.1164.4-75.4-173.6177.3-111.10.9109.2P195P195-R197 PolarHBondContact O-N 2.65Å
198R43.7Very low49.2Very low250 Ų250139 Ų13994%0.94374%0.742SS**  trans-73.3129.1164.7-85-177.3175.7-163.8-1.4109.1
199S41.7Very low47.8Very low112 Ų112143.6 Ų143.678%0.78376%0.762SS**  trans-59.3144174.5-47.20000113.1
200S48Very low46.5Very low121 Ų121141.6 Ų141.685%0.84676%0.757SS**  trans-179.9130.3133.1-890000110.5
201P44Very low45.8Very low124 Ų124145 Ų14581%0.80576%0.764SS**  trans-106.9162.4-176.737.6-30.3000115.2
202A49.8Very low44.9Very low93 Ų93148.2 Ų148.277%0.76977%0.768SS**  trans92.5157.1153.600000118.3
203P43.2Very low44.7Very low114 Ų114144.8 Ų144.874%0.7476%0.764SS**  -134.2-172.3-76.334.1-15.2000112.2
204T48Very low44.5Very low110 Ų110147.6 Ų147.668%0.67577%0.772SS**  trans117.6122145-36.40000115.9
205E42.7Very low45.1Very low163 Ų163149 Ų14976%0.76278%0.777SS**  trans83.1109.5145.1-85.8174.7-155.400122.3
206R35.5Very low45.3Very low212 Ų212149.1 Ų149.180%0.878%0.777SS**  107.3113.3108.6-162171.3-125.2-118.23.6117.3
207C40.4Very low45.5Very low86 Ų86148.4 Ų148.458%0.58177%0.774SS**  trans85.6123.1136.7-80.90000122.2
208Q43Very low45.6Very low170 Ų170149.1 Ų149.179%0.79478%0.777SS**  87.181.3129-65172.254.600118.6
209Q48.1Very low45.6Very low188 Ų188142.2 Ų142.288%0.87977%0.767SS**  30.2160.8104.8-108.5-15837.200120.3
210P45.5Very low45.8Very low92 Ų92147.5 Ų147.560%0.59777%0.77SS**  -125.3-173.2-87.635.4-15.3000111.2
211R47.3Very low45.9Very low212 Ų212152.7 Ų152.780%0.877%0.771SS**  trans160.3151133.9-85.7163.5-170.1-130.82.3114.3
212H41.7Very low45.8Very low157 Ų157155.9 Ų155.973%0.72778%0.775SS**  trans82.3138.7158.2-59-57000117.9
213S52Low45.6Very low102 Ų102158.6 Ų158.671%0.71378%0.782SS**  cis-175.2154.8-24.6-96.80000105.1
214P45.1Very low45.5Very low115 Ų115162.9 Ų162.975%0.74778%0.783SS**  trans-99.2164.4-17037.5-31.1000113.1
215S54.3Low44.9Very low119 Ų119168 Ų16883%0.83279%0.79SS**  trans166.4161.2137.5-82.60000115.7
216P50.6Low44.9Very low107 Ų107166.4 Ų166.470%0.69579%0.792SS**  trans-125.4-168.3-149.835.5-14.9000115.1
217R47.3Very low44.7Very low234 Ų234166.2 Ų166.288%0.88379%0.792SS**  trans96.6119.6161.6-58.5179.8171.9-156.2-2.3117.2
218R45.5Very low44.8Very low251 Ų251167.4 Ų167.495%0.94780%0.802SS**  -166.5151.3113.4-108.7174.4-179.8-172.61.1112.9
219S44.4Very low44.6Very low105 Ų105164.2 Ų164.273%0.73480%0.796SS**  trans-97171.9-164.141.70000113.2
220R46.5Very low43.9Very low222 Ų222167.3 Ų167.384%0.83880%0.799SS**  trans107.3108.3138.6-139.5-178.2-160.8160.74.2116.3
221R49.1Very low43.5Very low231 Ų231166.4 Ų166.487%0.87281%0.807SS**  171.9135.699.6-91.5-175.5173-179.4-1.8112.2
222Q41.6Very low43Very low190 Ų190163.8 Ų163.889%0.88881%0.809SS**  trans-76.1143.8170.9-69.3166.7-3600111.2
223V46.3Very low42.7Very low150 Ų150160 Ų16091%0.90980%0.8SS**  trans-143.6141.4139.6-178.90000109.3
224R39.8Very low41.8Very low205 Ų205161.8 Ų161.877%0.77480%0.802SS**  trans-87.1162.2-168.9-97.1173.9166.7178.9-3.6113.7
225R37Very low41.6Very low217 Ų217161.3 Ų161.382%0.81980%0.797SS**  trans77.7133.1150.8-76.3167.2179.9-175.8-1.8115.1
226T42.1Very low41.2Very low130 Ų130165 Ų16580%0.79880%0.801SS**  cis-156140.522.831.50000111.9
227Y32.2Very low41.3Very low207 Ų207167.8 Ų167.881%0.81281%0.805SS**  trans9.5115.9146.7-154.3-98.1000119.7
228S41.1Very low42Very low112 Ų112158 Ų15878%0.78378%0.777SS**  -163.1141.1129.5-76.40000110.2
229P39.6Very low43.3Very low102 Ų102148.2 Ų148.266%0.66275%0.75SS**  trans-85.3140.2-161-4.724.7000113.7
230R33.9Very low45.1Very low253 Ų253146.8 Ų146.896%0.95574%0.736SS**  trans-4.2140.6144.7-70173.5172.8179.5-4.1117.9
231G35.9Very low46.8Very low74 Ų74137 Ų13776%0.76370%0.702SS**  trans157.164.3155.400000111
232N36.6Very low48.3Very low156 Ų156135.9 Ų135.983%0.83470%0.699SS**  74.2110107-14855.4000112.5
233S35.4Very low50.2Low78 Ų78134 Ų13455%0.54569%0.685SS.*  trans-53.7163161.449.70000111.3
234D34.5Very low51.9Low139 Ų139128.6 Ų128.674%0.74365%0.649SS**  trans81.499.2161.1-46.6-46.1000116.4
235T39.8Very low53.8Low105 Ų105129 Ų12964%0.64465%0.651SS**  154.2120.2118.9-50.90000108.5Q237T235-Q237 HydrophobicContact CG2-CG 3.76Å; T235-Q237 PolarHBondContact O-N 3.19Å
236E46Very low56Low198 Ų198123.5 Ų123.593%0.92563%0.63SS**  trans-62.575.4163.5-70.3-177.3142.900109.6G238E236-G238 PolarHBondContact O-N 2.93Å
237Q53.7Low58.1Low164 Ų164124.1 Ų124.177%0.76662%0.622SS**  trans-82.691.2171-77171.9-0.200107.4T235 A239T235-Q237 HydrophobicContact CG2-CG 3.76Å; T235-Q237 PolarHBondContact O-N 3.19Å; Q237-A239 PolarHBondContact O-N 2.64Å
238G60.9Low60.6Low30 Ų30114.6 Ų114.631%0.30959%0.586SS.*PPolyproline II helixtrans-52.5135.4167.600000109.7E236 F247 V248E236-G238 PolarHBondContact O-N 2.93Å; G238-F247 VanDerWaalsContact O-CD1 3.23Å; G238-F247 WeakPolarHBondContact O-CD1 3.47Å; G238-V248 WeakPolarHBondContact CA-O 3.47Å
239A73.4Confident62.9Low45 Ų45113.3 Ų113.337%0.37257%0.573SS.*EExtended strand (participates in β ladder)trans-82.7143.6170.400000108.6Q237 C241 F247 V248 V250Q237-A239 PolarHBondContact O-N 2.64Å; A239-C241 PolarHBondContact O-N 3.08Å; A239-F247 CarbonylContact O-C 3.45Å; A239-F247 WeakPolarHBondContact O-CA 3.43Å; A239-V248 PolarHBondContact N-O 3.22Å; A239-V248 VanDerWaalsContact N-O 3.12Å; A239-V248 WeakPolarHBondContact O-CG2 3.45Å; A239-V248 PolarHBondContact O-N 3.29Å; A239-V250 HydrophobicContact CB-CG2 3.47Å; A239-V250 VanDerWaalsContact CB-CG2 3.47Å
240V81.1Confident65.2Low75 Ų75111.2 Ų111.246%0.45556%0.558SS.*EExtended strand (participates in β ladder)trans-76.5118.5174.7-179.70000108.8F247V240-F247 HydrophobicContact CG2-CD1 3.69Å; V240-F247 HydrophobicContact CG2-CE1 3.31Å; V240-F247 HydrophobicContact CG2-CZ 3.87Å
241C82.1Confident67.9Low16 Ų16105.4 Ų105.411%0.10854%0.542CS..EExtended strand (participates in β ladder)trans-84.9114.6166.4-179.10000109.2A239 Y243 H244 R245 R246 V248A239-C241 PolarHBondContact O-N 3.08Å; C241-Y243 VanDerWaalsContact C-N 3.27Å; C241-Y243 PolarHBondContact O-N 3.42Å; C241-H244 HydrophobicContact CB-CB 4.33Å; C241-H244 PolarHBondContact SG-ND1 3.41Å; C241-R245 WeakPolarHBondContact O-CA 3.38Å; C241-R245 PolarHBondContact O-N 3.19Å; C241-R246 PolarHBondContact N-O 3.35Å; C241-V248 HydrophobicContact CB-CB 4.46Å; C241-V248 HydrophobicContact CB-CG1 3.65Å; C241-V248 HydrophobicContact CB-CG2 3.89Å
242Y82.1Confident70.4Confident208 Ų208103.6 Ų103.682%0.81652%0.523SS*.THydrogen-bonded Turntrans-62.1-31.9-178.5-70.2-78.6000113.8
243Y81.4Confident73Confident151 Ų151100.3 Ų100.359%0.59251%0.512SS*.THydrogen-bonded Turntrans-74.4-50179.6-179.3-96.2000112.1C241 R245 I279C241-Y243 VanDerWaalsContact C-N 3.27Å; C241-Y243 PolarHBondContact O-N 3.42Å; Y243-R245 VanDerWaalsContact C-N 3.26Å; Y243-R245 PolarHBondContact O-N 2.91Å; Y243-I279 HydrophobicContact CD1-CG2 3.84Å; Y243-I279 HydrophobicContact CD2-CG2 4.31Å; Y243-I279 HydrophobicContact CE1-CG2 4.13Å; Y243-I279 HydrophobicContact CG-CD1 4.28Å; Y243-I279 HydrophobicContact CG-CG2 3.93Å
244H81Confident75.6Confident35 Ų35102.8 Ų102.816%0.16251%0.513CS..THydrogen-bonded Turntrans-79.6-9.2178.9-58.496000113.3C241 R246 T277C241-H244 HydrophobicContact CB-CB 4.33Å; C241-H244 PolarHBondContact SG-ND1 3.41Å; H244-R246 HydrophobicContact CB-CG 3.92Å; H244-R246 PolarHBondContact O-N 3.12Å; H244-R246 VanDerWaalsContact O-N 3.15Å; H244-T277 PolarHBondContact CE1-O 3.35Å
245R80.9Confident78.4Confident215 Ų21599.3 Ų99.381%0.81150%0.497SS*.THydrogen-bonded Turntrans50.736-178.6-59.5-175.9179.7173.1-0.3113.5C241 Y243C241-R245 WeakPolarHBondContact O-CA 3.38Å; C241-R245 PolarHBondContact O-N 3.19Å; Y243-R245 VanDerWaalsContact C-N 3.26Å; Y243-R245 PolarHBondContact O-N 2.91Å
246R82.7Confident80.9Confident100 Ų10098.2 Ų98.238%0.37749%0.487SS..EExtended strand (participates in β ladder)trans-140.4159177.967.4-175.9-176.6-164.60.1110.7C241 H244 V248 E276C241-R246 PolarHBondContact N-O 3.35Å; H244-R246 HydrophobicContact CB-CG 3.92Å; H244-R246 PolarHBondContact O-N 3.12Å; H244-R246 VanDerWaalsContact O-N 3.15Å; R246-V248 HydrophobicContact CG-CG1 4.16Å; R246-V248 PolarHBondContact O-N 3.41Å; R246-E276 IonicContact CZ-OE1 3.47Å; R246-E276 VanDerWaalsContact CZ-OE1 3.25Å; R246-E276 IonicContact NH1-OE1 3.42Å; R246-E276 PolarHBondContact NH1-OE1 3.17Å; R246-E276 IonicContact NH2-OE1 2.71Å; R246-E276 PolarHBondContact NH2-OE1 3.42Å
247F85.4Confident83Confident143 Ų14392.1 Ų92.163%0.62746%0.464SS*.EExtended strand (participates in β ladder)trans-65.2130.5165.8-68.9-76.3000109.2G238 A239 V240G238-F247 VanDerWaalsContact O-CD1 3.23Å; G238-F247 WeakPolarHBondContact O-CD1 3.47Å; A239-F247 CarbonylContact O-C 3.45Å; A239-F247 WeakPolarHBondContact O-CA 3.43Å; V240-F247 HydrophobicContact CG2-CD1 3.69Å; V240-F247 HydrophobicContact CG2-CE1 3.31Å; V240-F247 HydrophobicContact CG2-CZ 3.87Å
248V84.9Confident84.6Confident8 Ų885.8 Ų85.85%0.04844%0.436CS..EExtended strand (participates in β ladder)trans-117138.5177.6-62.60000108.7G238 A239 C241 R246 V250 A273 V275G238-V248 WeakPolarHBondContact CA-O 3.47Å; A239-V248 PolarHBondContact N-O 3.22Å; A239-V248 VanDerWaalsContact N-O 3.12Å; A239-V248 WeakPolarHBondContact O-CG2 3.45Å; A239-V248 PolarHBondContact O-N 3.29Å; C241-V248 HydrophobicContact CB-CB 4.46Å; C241-V248 HydrophobicContact CB-CG1 3.65Å; C241-V248 HydrophobicContact CB-CG2 3.89Å; R246-V248 HydrophobicContact CG-CG1 4.16Å; R246-V248 PolarHBondContact O-N 3.41Å; V248-V250 HydrophobicContact CG2-CG2 4.48Å; V248-V250 PolarHBondContact O-N 2.86Å; V248-A273 HydrophobicContact CB-CB 4.2Å; V248-A273 HydrophobicContact CG2-CB 3.76Å; V248-V275 HydrophobicContact CB-CG1 4.19Å; V248-V275 HydrophobicContact CG1-CG1 3.66Å
249T88.6Confident85.8Confident84 Ų8491.1 Ų91.152%0.51545%0.453SS..  trans-69.9117172.4-49.20000108.2A273 N274T249-A273 CarbonylContact O-C 3.58Å; T249-A273 VanDerWaalsContact O-CA 3.23Å; T249-A273 WeakPolarHBondContact O-CA 3.4Å; T249-N274 PolarHBondContact O-N 3.31Å
250V88.5Confident86.3Confident58 Ų5891.2 Ų91.235%0.35245%0.445SS..EExtended strand (participates in β ladder)trans-91.4126.8176.9177.70000108.8A239 V248 T271 A273A239-V250 HydrophobicContact CB-CG2 3.47Å; A239-V250 VanDerWaalsContact CB-CG2 3.47Å; V248-V250 HydrophobicContact CG2-CG2 4.48Å; V248-V250 PolarHBondContact O-N 2.86Å; V250-T271 HydrophobicContact CB-CG2 4.5Å; V250-T271 HydrophobicContact CG1-CG2 3.54Å; V250-T271 HydrophobicContact CG2-CG2 4.16Å; V250-A273 HydrophobicContact CG2-CB 4.2Å
251H90Very high86.1Confident131 Ų13196 Ų9661%0.60647%0.467SS*.EExtended strand (participates in β ladder)trans-98.4-6.4-179.7-64.1-70.9000113.3V272H251-V272 HydrophobicContact CB-CG1 4.2Å; H251-V272 PolarHBondContact N-O 2.91Å
252G90Very high85.9Confident36 Ų36100.4 Ų100.437%0.37149%0.494SS..EExtended strand (participates in β ladder)trans134.8-149.8178.900000111.8V272G252-V272 PolarHBondContact O-N 2.89Å
253S91.1Very high85.9Confident88 Ų8892 Ų9262%0.61546%0.463SS*.EExtended strand (participates in β ladder)trans-132.2151.7176.462.50000111.8F270S253-F270 CarbonylContact C-O 3.49Å; S253-F270 WeakPolarHBondContact CA-O 3.5Å; S253-F270 WeakPolarHBondContact CB-O 3.2Å
254K90.2Very high86.1Confident129 Ų12989.3 Ų89.356%0.56146%0.464SS*.EExtended strand (participates in β ladder)trans-141.3129.8178.9-171.4173.3-176.41790110.3L256 F270 V272K254-L256 HydrophobicContact CD-CD2 4.07Å; K254-L256 HydrophobicContact CG-CD2 4.11Å; K254-L256 HydrophobicContact CG-CG 4.44Å; K254-F270 PolarHBondContact N-O 3.15Å; K254-F270 PolarHBondContact O-N 3.4Å; K254-V272 HydrophobicContact CB-CG2 3.65Å
255T92.8Very high86.4Confident67 Ų6791.5 Ų91.541%0.41148%0.481SS..EExtended strand (participates in β ladder)trans-81.6124.5174.1-50.30000110.5K267 W268 T269T255-K267 HydrophobicContact CG2-CD 4.17Å; T255-K267 HydrophobicContact CG2-CG 3.68Å; T255-W268 CarbonylContact C-O 3.58Å; T255-W268 VanDerWaalsContact CA-O 3.28Å; T255-W268 WeakPolarHBondContact CA-O 3.41Å; T255-T269 PolarHBondContact OG1-OG1 3.4Å
256L91.2Very high86.8Confident81 Ų8181.6 Ų81.642%0.42445%0.446SS..EExtended strand (participates in β ladder)trans-127158.6177.8-58.9175.2000110K254 K267 W268 F270K254-L256 HydrophobicContact CD-CD2 4.07Å; K254-L256 HydrophobicContact CG-CD2 4.11Å; K254-L256 HydrophobicContact CG-CG 4.44Å; L256-K267 WeakPolarHBondContact O-CA 3.25Å; L256-W268 PolarHBondContact N-O 2.88Å; L256-W268 PolarHBondContact O-N 3.42Å; L256-F270 HydrophobicContact CB-CD2 3.86Å; L256-F270 HydrophobicContact CB-CE2 3.89Å; L256-F270 HydrophobicContact CD1-CD2 4.07Å; L256-F270 HydrophobicContact CG-CD2 4.14Å
257T91.3Very high87.1Confident71 Ų7184 Ų8444%0.43646%0.459SS..EExtended strand (participates in β ladder)trans-107.3120.5172.3-55.50000108.6P265 A266T257-P265 HydrophobicContact CG2-CB 3.66Å; T257-A266 CarbonylContact C-O 3.57Å; T257-A266 WeakPolarHBondContact CA-O 3.43Å
258V87.4Confident87.5Confident31 Ų3179.6 Ų79.619%0.18844%0.438CS..EExtended strand (participates in β ladder)trans-91.9123.1176-175.60000108.2F260 P265 A266 F270 F284V258-F260 HydrophobicContact CB-CE2 4.46Å; V258-F260 HydrophobicContact CB-CZ 4.36Å; V258-F260 HydrophobicContact CG1-CE1 3.99Å; V258-F260 HydrophobicContact CG1-CE2 4.15Å; V258-F260 HydrophobicContact CG1-CZ 3.74Å; V258-P265 CarbonylContact O-C 3.27Å; V258-P265 WeakPolarHBondContact O-CA 3.3Å; V258-A266 PolarHBondContact N-O 2.92Å; V258-A266 PolarHBondContact O-N 3Å; V258-F270 HydrophobicContact CG2-CE2 4.04Å; V258-F270 HydrophobicContact CG2-CZ 3.7Å; V258-F284 HydrophobicContact CB-CE2 4.47Å; V258-F284 HydrophobicContact CB-CZ 3.91Å; V258-F284 HydrophobicContact CG1-CZ 4.25Å; V258-F284 HydrophobicContact CG2-CE2 4.04Å; V258-F284 HydrophobicContact CG2-CZ 3.82Å
259H86.7Confident87.9Confident142 Ų14282.8 Ų82.866%0.65746%0.457SS*.  trans-98.1139.6176.1-66.4-92000109.5
260F82.6Confident88Confident47 Ų4780.5 Ų80.521%0.20644%0.441CS..  trans-122.5155.2174.5-53-85.4000108.7V258 V262 L263 A266 F284 L290 V299V258-F260 HydrophobicContact CB-CE2 4.46Å; V258-F260 HydrophobicContact CB-CZ 4.36Å; V258-F260 HydrophobicContact CG1-CE1 3.99Å; V258-F260 HydrophobicContact CG1-CE2 4.15Å; V258-F260 HydrophobicContact CG1-CZ 3.74Å; F260-V262 VanDerWaalsContact C-N 3.32Å; F260-V262 PolarHBondContact O-N 3.48Å; F260-L263 HydrophobicContact CB-CB 3.83Å; F260-L263 HydrophobicContact CB-CG 4.43Å; F260-L263 HydrophobicContact CD2-CB 3.91Å; F260-L263 HydrophobicContact CD2-CD1 4.49Å; F260-L263 HydrophobicContact CG-CB 4.07Å; F260-L263 HydrophobicContact CG-CD1 4.34Å; F260-A266 HydrophobicContact CE2-CB 3.81Å; F260-A266 HydrophobicContact CZ-CB 4.5Å; F260-F284 HydrophobicContact CE2-CZ 4.41Å; F260-F284 AromaticContact CZ-CE1 3.87Å; F260-F284 HydrophobicContact CZ-CE1 3.87Å; F260-F284 AromaticContact CZ-CZ 3.84Å; F260-F284 HydrophobicContact CZ-CZ 3.84Å; F260-L290 HydrophobicContact CE1-CD1 4.11Å; F260-L290 HydrophobicContact CZ-CD1 3.7Å; F260-V299 HydrophobicContact CE1-CG1 4.47Å
261D76.7Confident88Confident174 Ų17482.6 Ų82.693%0.9345%0.454SS*.SBendtrans-66.9-33.8-178-59.5-33.3000113.2
262V79.3Confident88Confident109 Ų10979.3 Ų79.366%0.66144%0.443SS*.SBendtrans-125.91.9-171.3-66.10000114.1F260F260-V262 VanDerWaalsContact C-N 3.32Å; F260-V262 PolarHBondContact O-N 3.48Å
263L82.2Confident88Confident31 Ų3178.9 Ų78.916%0.16244%0.436CS..SBendtrans-121.2151.3179.3-58.6173.9000110.8F260 L290 V299 Q301F260-L263 HydrophobicContact CB-CB 3.83Å; F260-L263 HydrophobicContact CB-CG 4.43Å; F260-L263 HydrophobicContact CD2-CB 3.91Å; F260-L263 HydrophobicContact CD2-CD1 4.49Å; F260-L263 HydrophobicContact CG-CB 4.07Å; F260-L263 HydrophobicContact CG-CD1 4.34Å; L263-L290 HydrophobicContact CD1-CD2 3.56Å; L263-V299 HydrophobicContact CD1-CG1 4.34Å; L263-Q301 HydrophobicContact CD2-CB 3.9Å
264P84.5Confident87.8Confident96 Ų9679.7 Ų79.762%0.62343%0.433SS*.  trans-55.4147.8172-23.733.5000112A266P264-A266 PolarHBondContact O-N 3.49Å
265P87Confident87.6Confident81 Ų8175.5 Ų75.553%0.52642%0.418SS..  trans-61.6135.1177.524.5-32.6000111.4T257 V258T257-P265 HydrophobicContact CG2-CB 3.66Å; V258-P265 CarbonylContact O-C 3.27Å; V258-P265 WeakPolarHBondContact O-CA 3.3Å
266A88.9Confident87.2Confident7 Ų779.3 Ų79.36%0.05843%0.431CS..EExtended strand (participates in β ladder)trans-108121.9-177.200000110.8T257 V258 F260 P264 F284T257-A266 CarbonylContact C-O 3.57Å; T257-A266 WeakPolarHBondContact CA-O 3.43Å; V258-A266 PolarHBondContact N-O 2.92Å; V258-A266 PolarHBondContact O-N 3Å; F260-A266 HydrophobicContact CE2-CB 3.81Å; F260-A266 HydrophobicContact CZ-CB 4.5Å; P264-A266 PolarHBondContact O-N 3.49Å; A266-F284 HydrophobicContact CB-CE2 3.87Å; A266-F284 HydrophobicContact CB-CZ 3.75Å
267K90.8Very high86.9Confident150 Ų15078.8 Ų78.865%0.65243%0.432SS*.EExtended strand (participates in β ladder)trans-94.6126.5178.1-172.3175.8178.3178.90110.3T255 L256T255-K267 HydrophobicContact CG2-CD 4.17Å; T255-K267 HydrophobicContact CG2-CG 3.68Å; L256-K267 WeakPolarHBondContact O-CA 3.25Å
268W92.9Very high86.6Confident50 Ų5080 Ų8019%0.18945%0.448CS..EExtended strand (participates in β ladder)trans-144150.2-177.3-167.1-104.6000112.6T255 L256 F270 D283 F284 H287 H288T255-W268 CarbonylContact C-O 3.58Å; T255-W268 VanDerWaalsContact CA-O 3.28Å; T255-W268 WeakPolarHBondContact CA-O 3.41Å; L256-W268 PolarHBondContact N-O 2.88Å; L256-W268 PolarHBondContact O-N 3.42Å; W268-F270 HydrophobicContact CB-CD2 4.36Å; W268-F270 HydrophobicContact CB-CE2 3.7Å; W268-F270 HydrophobicContact CB-CZ 3.78Å; W268-F270 AromaticContact CD1-CD1 3.81Å; W268-F270 AromaticContact CD1-CE1 3.67Å; W268-F270 AromaticContact CD1-CZ 3.82Å; W268-F270 HydrophobicContact CG-CE1 4.4Å; W268-F270 HydrophobicContact CG-CE2 4.32Å; W268-F270 HydrophobicContact CG-CZ 4.14Å; W268-F270 WeakPolarHBondContact O-CD2 3.37Å; W268-D283 HydrophobicContact CZ2-CB 4.14Å; W268-F284 HydrophobicContact CB-CD2 3.51Å; W268-F284 HydrophobicContact CB-CE2 3.72Å; W268-F284 AromaticContact CD1-CD2 3.95Å; W268-F284 HydrophobicContact CD2-CB 4.29Å; W268-F284 AromaticContact CD2-CD2 3.72Å; W268-F284 HydrophobicContact CD2-CD2 3.72Å; W268-F284 HydrophobicContact CE3-CD2 4.15Å; W268-F284 HydrophobicContact CG-CB 4.42Å; W268-F284 AromaticContact CG-CD2 3.46Å; W268-F284 HydrophobicContact CG-CD2 3.46Å; W268-F284 VanDerWaalsContact CG-CD2 3.46Å; W268-F284 HydrophobicContact CG-CE2 4.2Å; W268-F284 HydrophobicContact CG-CG 4.4Å; W268-H287 HydrophobicContact CH2-CB 3.63Å; W268-H287 AromaticContact CH2-CG 3.75Å; W268-H287 HydrophobicContact CZ3-CB 3.56Å; W268-H287 AromaticContact CZ3-CD2 3.43Å; W268-H287 VanDerWaalsContact CZ3-CD2 3.43Å; W268-H287 WeakPolarHBondContact CZ3-CD2 3.31Å; W268-H287 AromaticContact CZ3-CG 3.29Å; W268-H287 AromaticContact CZ3-ND1 3.71Å; W268-H287 AromaticContact CZ3-NE2 3.92Å; W268-H288 AromaticContact CE3-NE2 3.84Å
269T92.6Very high86.6Confident75 Ų7582.1 Ų82.146%0.4646%0.458SS..EExtended strand (participates in β ladder)trans-95.8106175.3-61.80000109.4T255T255-T269 PolarHBondContact OG1-OG1 3.4Å
270F91.3Very high86.6Confident37 Ų3779.3 Ų79.316%0.16245%0.447CS..EExtended strand (participates in β ladder)trans-90.5147.1-178.9-64.4-84.4000111.4S253 K254 L256 V258 W268 F284S253-F270 CarbonylContact C-O 3.49Å; S253-F270 WeakPolarHBondContact CA-O 3.5Å; S253-F270 WeakPolarHBondContact CB-O 3.2Å; K254-F270 PolarHBondContact N-O 3.15Å; K254-F270 PolarHBondContact O-N 3.4Å; L256-F270 HydrophobicContact CB-CD2 3.86Å; L256-F270 HydrophobicContact CB-CE2 3.89Å; L256-F270 HydrophobicContact CD1-CD2 4.07Å; L256-F270 HydrophobicContact CG-CD2 4.14Å; V258-F270 HydrophobicContact CG2-CE2 4.04Å; V258-F270 HydrophobicContact CG2-CZ 3.7Å; W268-F270 HydrophobicContact CB-CD2 4.36Å; W268-F270 HydrophobicContact CB-CE2 3.7Å; W268-F270 HydrophobicContact CB-CZ 3.78Å; W268-F270 AromaticContact CD1-CD1 3.81Å; W268-F270 AromaticContact CD1-CE1 3.67Å; W268-F270 AromaticContact CD1-CZ 3.82Å; W268-F270 HydrophobicContact CG-CE1 4.4Å; W268-F270 HydrophobicContact CG-CE2 4.32Å; W268-F270 HydrophobicContact CG-CZ 4.14Å; W268-F270 WeakPolarHBondContact O-CD2 3.37Å; F270-F284 HydrophobicContact CZ-CD2 4.15Å; F270-F284 HydrophobicContact CZ-CE2 4.26Å
271T89.5Confident86.7Confident102 Ų10278.3 Ų78.363%0.62645%0.45SS*.EExtended strand (participates in β ladder)trans-75.5126.1166.4-57.70000109.3V250V250-T271 HydrophobicContact CB-CG2 4.5Å; V250-T271 HydrophobicContact CG1-CG2 3.54Å; V250-T271 HydrophobicContact CG2-CG2 4.16Å
272V89.8Confident87.2Confident62 Ų6273.8 Ų73.838%0.37644%0.437SS..EExtended strand (participates in β ladder)trans-90.5114.5175.7-176.80000107.6H251 G252 K254H251-V272 HydrophobicContact CB-CG1 4.2Å; H251-V272 PolarHBondContact N-O 2.91Å; G252-V272 PolarHBondContact O-N 2.89Å; K254-V272 HydrophobicContact CB-CG2 3.65Å
273A88.7Confident87.6Confident27 Ų2772.9 Ų72.922%0.22343%0.428CS..EExtended strand (participates in β ladder)trans-134.9155179.100000111.1V248 T249 V250 V275V248-A273 HydrophobicContact CB-CB 4.2Å; V248-A273 HydrophobicContact CG2-CB 3.76Å; T249-A273 CarbonylContact O-C 3.58Å; T249-A273 VanDerWaalsContact O-CA 3.23Å; T249-A273 WeakPolarHBondContact O-CA 3.4Å; V250-A273 HydrophobicContact CG2-CB 4.2Å; A273-V275 HydrophobicContact CB-CG1 4.38Å; A273-V275 PolarHBondContact O-N 3.46Å; A273-V275 VanDerWaalsContact O-N 3.11Å
274N87.6Confident88Confident105 Ų10571.5 Ų71.556%0.56142%0.421SS*.  trans-75.596.9173.8-172.37.8000110.1T249T249-N274 PolarHBondContact O-N 3.31Å
275V86.4Confident88.3Confident41 Ų4169.5 Ų69.525%0.24840%0.404CS..  trans-131.9147.6-179.1-70.10000110.9V248 A273 T277V248-V275 HydrophobicContact CB-CG1 4.19Å; V248-V275 HydrophobicContact CG1-CG1 3.66Å; A273-V275 HydrophobicContact CB-CG1 4.38Å; A273-V275 PolarHBondContact O-N 3.46Å; A273-V275 VanDerWaalsContact O-N 3.11Å; V275-T277 VanDerWaalsContact C-N 3.29Å; V275-T277 WeakPolarHBondContact CG2-O 3.38Å; V275-T277 PolarHBondContact O-N 2.73Å
276E83.7Confident88.4Confident147 Ų14773.2 Ų73.269%0.68741%0.414SS*.SBendtrans-69.6-27.7177.2-78.7161.5-14100112.8R246R246-E276 IonicContact CZ-OE1 3.47Å; R246-E276 VanDerWaalsContact CZ-OE1 3.25Å; R246-E276 IonicContact NH1-OE1 3.42Å; R246-E276 PolarHBondContact NH1-OE1 3.17Å; R246-E276 IonicContact NH2-OE1 2.71Å; R246-E276 PolarHBondContact NH2-OE1 3.42Å
277T84.9Confident88.4Confident70 Ų7078.7 Ų78.743%0.42944%0.438SS..SBendtrans-137.2122.5-177.4-46.20000108.6H244 V275H244-T277 PolarHBondContact CE1-O 3.35Å; V275-T277 VanDerWaalsContact C-N 3.29Å; V275-T277 WeakPolarHBondContact CG2-O 3.38Å; V275-T277 PolarHBondContact O-N 2.73Å
278A84.5Confident88.3Confident95 Ų9573.3 Ų73.379%0.78542%0.415SS*.  trans-67.4138172.500000109.6
279I87.4Confident88.1Confident76 Ų7676.8 Ų76.839%0.3943%0.429SS..  trans-129.7149.3-178.756169000110Y243Y243-I279 HydrophobicContact CD1-CG2 3.84Å; Y243-I279 HydrophobicContact CD2-CG2 4.31Å; Y243-I279 HydrophobicContact CE1-CG2 4.13Å; Y243-I279 HydrophobicContact CG-CD1 4.28Å; Y243-I279 HydrophobicContact CG-CG2 3.93Å
280I86.6Confident88Confident84 Ų8474.2 Ų74.243%0.43141%0.412SS..  trans-90.7126.9168.6-64.9-179.2000107.6F284 I285I280-F284 HydrophobicContact CD1-CE1 4.46Å; I280-F284 HydrophobicContact CG2-CB 3.86Å; I280-F284 HydrophobicContact CG2-CD1 3.2Å; I280-F284 HydrophobicContact CG2-CE1 3.94Å; I280-F284 HydrophobicContact CG2-CG 3.77Å; I280-I285 HydrophobicContact CG2-CG1 4.04Å
281G85.8Confident87.8Confident26 Ų2675 Ų7527%0.26842%0.42SS..  trans-71.4153.6178.500000112.7D283 F284 I285G281-D283 WeakPolarHBondContact CA-OD1 3.38Å; G281-D283 PolarHBondContact O-N 3.33Å; G281-F284 PolarHBondContact O-N 3.34Å; G281-I285 PolarHBondContact O-N 3.39Å
282A86.9Confident87.7Confident79 Ų7973.3 Ų73.365%0.65341%0.409SS*.Hα-helixtrans-63.4-25.3176.500000112.5I285 H286A282-I285 PolarHBondContact O-N 3.29Å; A282-H286 WeakPolarHBondContact O-CB 3.46Å; A282-H286 PolarHBondContact O-N 3.34Å
283D88.9Confident87.6Confident90 Ų9072.6 Ų72.648%0.48140%0.403SS..Hα-helixtrans-60.7-44.9172.358.7-27.3000112.3W268 G281 H287W268-D283 HydrophobicContact CZ2-CB 4.14Å; G281-D283 WeakPolarHBondContact CA-OD1 3.38Å; G281-D283 PolarHBondContact O-N 3.33Å; D283-H287 WeakPolarHBondContact O-CB 3.32Å; D283-H287 PolarHBondContact O-N 2.96Å
284F90.6Very high87.5Confident1 Ų178.5 Ų78.50%0.00443%0.43CS..Hα-helixtrans-63.8-47.4174.7173.4-90.6000111.7V258 F260 A266 W268 F270 I280 G281 H286 H287 H288 L290V258-F284 HydrophobicContact CB-CE2 4.47Å; V258-F284 HydrophobicContact CB-CZ 3.91Å; V258-F284 HydrophobicContact CG1-CZ 4.25Å; V258-F284 HydrophobicContact CG2-CE2 4.04Å; V258-F284 HydrophobicContact CG2-CZ 3.82Å; F260-F284 HydrophobicContact CE2-CZ 4.41Å; F260-F284 AromaticContact CZ-CE1 3.87Å; F260-F284 HydrophobicContact CZ-CE1 3.87Å; F260-F284 AromaticContact CZ-CZ 3.84Å; F260-F284 HydrophobicContact CZ-CZ 3.84Å; A266-F284 HydrophobicContact CB-CE2 3.87Å; A266-F284 HydrophobicContact CB-CZ 3.75Å; W268-F284 HydrophobicContact CB-CD2 3.51Å; W268-F284 HydrophobicContact CB-CE2 3.72Å; W268-F284 AromaticContact CD1-CD2 3.95Å; W268-F284 HydrophobicContact CD2-CB 4.29Å; W268-F284 AromaticContact CD2-CD2 3.72Å; W268-F284 HydrophobicContact CD2-CD2 3.72Å; W268-F284 HydrophobicContact CE3-CD2 4.15Å; W268-F284 HydrophobicContact CG-CB 4.42Å; W268-F284 AromaticContact CG-CD2 3.46Å; W268-F284 HydrophobicContact CG-CD2 3.46Å; W268-F284 VanDerWaalsContact CG-CD2 3.46Å; W268-F284 HydrophobicContact CG-CE2 4.2Å; W268-F284 HydrophobicContact CG-CG 4.4Å; F270-F284 HydrophobicContact CZ-CD2 4.15Å; F270-F284 HydrophobicContact CZ-CE2 4.26Å; I280-F284 HydrophobicContact CD1-CE1 4.46Å; I280-F284 HydrophobicContact CG2-CB 3.86Å; I280-F284 HydrophobicContact CG2-CD1 3.2Å; I280-F284 HydrophobicContact CG2-CE1 3.94Å; I280-F284 HydrophobicContact CG2-CG 3.77Å; G281-F284 PolarHBondContact O-N 3.34Å; F284-H286 VanDerWaalsContact C-N 3.33Å; F284-H286 PolarHBondContact O-N 2.7Å; F284-H287 PolarHBondContact O-N 2.72Å; F284-H288 AromaticContact CD2-CD2 3.52Å; F284-H288 AromaticContact CD2-NE2 3.87Å; F284-H288 AromaticContact CE2-CD2 3.39Å; F284-H288 WeakPolarHBondContact CE2-CD2 3.21Å; F284-H288 AromaticContact CE2-NE2 3.61Å; F284-H288 AromaticContact CZ-CD2 3.84Å; F284-H288 PolarHBondContact O-CD2 2.95Å; F284-H288 PolarHBondContact O-N 3.16Å; F284-L290 HydrophobicContact CD1-CD1 4.19Å; F284-L290 HydrophobicContact CE1-CD1 3.67Å; F284-L290 HydrophobicContact CZ-CD1 4.49Å
285I89.9Confident87.3Confident55 Ų5578 Ų7828%0.28244%0.44SS..Hα-helixtrans-59.9-46.8179.5-64174.6000109.9I280 G281 A282 R289 L290 V292I280-I285 HydrophobicContact CG2-CG1 4.04Å; G281-I285 PolarHBondContact O-N 3.39Å; A282-I285 PolarHBondContact O-N 3.29Å; I285-R289 PolarHBondContact O-N 2.93Å; I285-R289 VanDerWaalsContact O-N 3.09Å; I285-L290 HydrophobicContact CG2-CB 4.05Å; I285-L290 WeakPolarHBondContact CG2-O 3.37Å; I285-L290 PolarHBondContact O-N 3.03Å; I285-V292 HydrophobicContact CD1-CG2 4.37Å
286H88.3Confident87.2Confident159 Ų15981.2 Ų81.274%0.73646%0.456SS*.Hα-helixtrans-64-46.6178.5-178.669.7000111.9A282 F284 H288 R289A282-H286 WeakPolarHBondContact O-CB 3.46Å; A282-H286 PolarHBondContact O-N 3.34Å; F284-H286 VanDerWaalsContact C-N 3.33Å; F284-H286 PolarHBondContact O-N 2.7Å; H286-H288 PolarHBondContact O-N 3Å; H286-R289 PolarHBondContact O-N 3.05Å; H286-R289 VanDerWaalsContact O-N 3.09Å
287H90.1Very high87.3Confident121 Ų12179.6 Ų79.656%0.5646%0.461SS*.Hα-helixtrans-61.1-43.7-178.7-17690.9000112.5W268 D283 F284 R289W268-H287 HydrophobicContact CH2-CB 3.63Å; W268-H287 AromaticContact CH2-CG 3.75Å; W268-H287 HydrophobicContact CZ3-CB 3.56Å; W268-H287 AromaticContact CZ3-CD2 3.43Å; W268-H287 VanDerWaalsContact CZ3-CD2 3.43Å; W268-H287 WeakPolarHBondContact CZ3-CD2 3.31Å; W268-H287 AromaticContact CZ3-CG 3.29Å; W268-H287 AromaticContact CZ3-ND1 3.71Å; W268-H287 AromaticContact CZ3-NE2 3.92Å; D283-H287 WeakPolarHBondContact O-CB 3.32Å; D283-H287 PolarHBondContact O-N 2.96Å; F284-H287 PolarHBondContact O-N 2.72Å; H287-R289 PolarHBondContact O-N 3.24Å
288H88.4Confident87.2Confident37 Ų3783.9 Ų83.917%0.17147%0.469CS..THydrogen-bonded Turntrans-84.92.9178.6-69.5-70.2000113.5W268 F284 H286 L290 Q301W268-H288 AromaticContact CE3-NE2 3.84Å; F284-H288 AromaticContact CD2-CD2 3.52Å; F284-H288 AromaticContact CD2-NE2 3.87Å; F284-H288 AromaticContact CE2-CD2 3.39Å; F284-H288 WeakPolarHBondContact CE2-CD2 3.21Å; F284-H288 AromaticContact CE2-NE2 3.61Å; F284-H288 AromaticContact CZ-CD2 3.84Å; F284-H288 PolarHBondContact O-CD2 2.95Å; F284-H288 PolarHBondContact O-N 3.16Å; H286-H288 PolarHBondContact O-N 3Å; H288-L290 VanDerWaalsContact C-N 3.25Å; H288-L290 HydrophobicContact CB-CD1 4.02Å; H288-L290 HydrophobicContact CB-CD2 4.1Å; H288-L290 HydrophobicContact CB-CG 3.72Å; H288-L290 PolarHBondContact O-N 3.36Å; H288-Q301 PolarHBondContact O-NE2 2.92Å
289R88.6Confident87.3Confident124 Ų12481.7 Ų81.747%0.46845%0.446SS..THydrogen-bonded Turntrans53.243.4-178.7-60.5175.6170.2-168.9-13.9112I285 H286 H287 Q301 S302 E304I285-R289 PolarHBondContact O-N 2.93Å; I285-R289 VanDerWaalsContact O-N 3.09Å; H286-R289 PolarHBondContact O-N 3.05Å; H286-R289 VanDerWaalsContact O-N 3.09Å; H287-R289 PolarHBondContact O-N 3.24Å; R289-Q301 HydrophobicContact CB-CG 4.44Å; R289-S302 PolarHBondContact O-N 3.31Å; R289-E304 IonicContact CZ-OE1 2.69Å; R289-E304 IonicContact CZ-OE2 2.73Å; R289-E304 IonicContact NH1-OE1 3.5Å; R289-E304 PolarHBondContact NH1-OE1 3.14Å; R289-E304 IonicContact NH1-OE2 3.13Å; R289-E304 PolarHBondContact NH1-OE2 3.25Å; R289-E304 IonicContact NH2-OE1 3.53Å; R289-E304 PolarHBondContact NH2-OE1 3.18Å; R289-E304 IonicContact NH2-OE2 2.85Å
290L89.4Confident87.3Confident20 Ų2082.6 Ų82.611%0.10545%0.447CS..EExtended strand (participates in β ladder)trans-83137.6-178.7-57177.7000110.1F260 L263 F284 I285 H288 V299F260-L290 HydrophobicContact CE1-CD1 4.11Å; F260-L290 HydrophobicContact CZ-CD1 3.7Å; L263-L290 HydrophobicContact CD1-CD2 3.56Å; F284-L290 HydrophobicContact CD1-CD1 4.19Å; F284-L290 HydrophobicContact CE1-CD1 3.67Å; F284-L290 HydrophobicContact CZ-CD1 4.49Å; I285-L290 HydrophobicContact CG2-CB 4.05Å; I285-L290 WeakPolarHBondContact CG2-O 3.37Å; I285-L290 PolarHBondContact O-N 3.03Å; H288-L290 VanDerWaalsContact C-N 3.25Å; H288-L290 HydrophobicContact CB-CD1 4.02Å; H288-L290 HydrophobicContact CB-CD2 4.1Å; H288-L290 HydrophobicContact CB-CG 3.72Å; H288-L290 PolarHBondContact O-N 3.36Å; L290-V299 HydrophobicContact CB-CG1 3.99Å; L290-V299 HydrophobicContact CD1-CG1 4.26Å; L290-V299 HydrophobicContact CD2-CG1 4.21Å; L290-V299 HydrophobicContact CG-CG1 4.38Å
291V88.5Confident87.2Confident54 Ų5483.1 Ų83.133%0.32745%0.448SS..EExtended strand (participates in β ladder)trans-108.5124.9168.5-176.80000107.1V299 F300V291-V299 WeakPolarHBondContact O-CA 3.46Å; V291-F300 HydrophobicContact CB-CD1 4.49Å; V291-F300 HydrophobicContact CB-CD2 3.98Å; V291-F300 HydrophobicContact CB-CE1 4.11Å; V291-F300 HydrophobicContact CB-CE2 3.55Å; V291-F300 HydrophobicContact CB-CG 4.44Å; V291-F300 HydrophobicContact CB-CZ 3.63Å; V291-F300 HydrophobicContact CG1-CE1 3.94Å; V291-F300 HydrophobicContact CG1-CE2 3.81Å; V291-F300 HydrophobicContact CG1-CZ 3.4Å; V291-F300 HydrophobicContact CG2-CD2 4.4Å; V291-F300 HydrophobicContact CG2-CE2 3.92Å; V291-F300 HydrophobicContact CG2-CZ 4.39Å; V291-F300 PolarHBondContact N-O 3.38Å; V291-F300 PolarHBondContact O-N 3.45Å
292V87.6Confident87Confident67 Ų6784.7 Ų84.741%0.40646%0.455SS..EExtended strand (participates in β ladder)trans-102.2111.6179.6-175.50000108.2I285 L294 V299I285-V292 HydrophobicContact CD1-CG2 4.37Å; V292-L294 HydrophobicContact CG1-CD2 3.69Å; V292-L294 HydrophobicContact CG1-CG 4.26Å; V292-V299 HydrophobicContact CG1-CG2 4.41Å; V292-V299 HydrophobicContact CG2-CG2 4.32Å
293D86.4Confident86.2Confident47 Ų4792 Ų9225%0.25147%0.466SS..EExtended strand (participates in β ladder)trans-9297.4171.8-177.9-10.7000108.9A295 N296 S297 R298 F300D293-A295 VanDerWaalsContact C-N 3.28Å; D293-A295 PolarHBondContact O-N 3.46Å; D293-A295 WeakPolarHBondContact OD1-CB 3.49Å; D293-A295 PolarHBondContact OD1-N 3.19Å; D293-N296 PolarHBondContact OD1-N 3.48Å; D293-N296 PolarHBondContact OD2-ND2 3.09Å; D293-S297 WeakPolarHBondContact O-CA 3.4Å; D293-S297 PolarHBondContact O-N 3.1Å; D293-R298 HydrophobicContact CB-CB 4.45Å; D293-R298 PolarHBondContact N-O 3.25Å; D293-R298 PolarHBondContact O-N 3.37Å; D293-F300 HydrophobicContact CB-CE1 4.13Å
294L87.6Confident84.6Confident151 Ų15193.9 Ų93.979%0.79147%0.471SS*.THydrogen-bonded Turntrans-70.1-24.7179.9-62.3175.7000112.6V292V292-L294 HydrophobicContact CG1-CD2 3.69Å; V292-L294 HydrophobicContact CG1-CG 4.26Å
295A83Confident82.3Confident93 Ų93105 Ų10577%0.76951%0.514SS*.THydrogen-bonded Turntrans-73.4-38.9-179.400000111D293D293-A295 VanDerWaalsContact C-N 3.28Å; D293-A295 PolarHBondContact O-N 3.46Å; D293-A295 WeakPolarHBondContact OD1-CB 3.49Å; D293-A295 PolarHBondContact OD1-N 3.19Å
296N84.3Confident79.8Confident109 Ų109107.8 Ų107.858%0.58354%0.538SS*.THydrogen-bonded Turntrans-100.81.4-179.8-62.8-64.3000113.7D293 R298D293-N296 PolarHBondContact OD1-N 3.48Å; D293-N296 PolarHBondContact OD2-ND2 3.09Å; N296-R298 VanDerWaalsContact C-N 3.31Å; N296-R298 HydrophobicContact CB-CG 4.24Å; N296-R298 WeakPolarHBondContact O-CG 3.46Å; N296-R298 PolarHBondContact O-N 3.32Å
297S84.9Confident77.2Confident113 Ų113111.5 Ų111.579%0.7956%0.562SS**THydrogen-bonded Turntrans54.343.2-173.7-60.80000113.3D293D293-S297 WeakPolarHBondContact O-CA 3.4Å; D293-S297 PolarHBondContact O-N 3.1Å
298R83.6Confident76.6Confident161 Ų161111.1 Ų111.161%0.60856%0.562SS**EExtended strand (participates in β ladder)trans-122148.1-176.8-67.9178.975.2176.44112D293 N296D293-R298 HydrophobicContact CB-CB 4.45Å; D293-R298 PolarHBondContact N-O 3.25Å; D293-R298 PolarHBondContact O-N 3.37Å; N296-R298 VanDerWaalsContact C-N 3.31Å; N296-R298 HydrophobicContact CB-CG 4.24Å; N296-R298 WeakPolarHBondContact O-CG 3.46Å; N296-R298 PolarHBondContact O-N 3.32Å
299V85.8Confident76Confident49 Ų49114.9 Ų114.930%0.29758%0.582SS.*EExtended strand (participates in β ladder)trans-122.5129.8170.6-176.20000108.5F260 L263 L290 V291 V292F260-V299 HydrophobicContact CE1-CG1 4.47Å; L263-V299 HydrophobicContact CD1-CG1 4.34Å; L290-V299 HydrophobicContact CB-CG1 3.99Å; L290-V299 HydrophobicContact CD1-CG1 4.26Å; L290-V299 HydrophobicContact CD2-CG1 4.21Å; L290-V299 HydrophobicContact CG-CG1 4.38Å; V291-V299 WeakPolarHBondContact O-CA 3.46Å; V292-V299 HydrophobicContact CG1-CG2 4.41Å; V292-V299 HydrophobicContact CG2-CG2 4.32Å
300F87.9Confident75.3Confident94 Ų94114.4 Ų114.441%0.41259%0.589SS.*EExtended strand (participates in β ladder)trans-138.8159.8177.358.3-88.4000110.4V291 D293V291-F300 HydrophobicContact CB-CD1 4.49Å; V291-F300 HydrophobicContact CB-CD2 3.98Å; V291-F300 HydrophobicContact CB-CE1 4.11Å; V291-F300 HydrophobicContact CB-CE2 3.55Å; V291-F300 HydrophobicContact CB-CG 4.44Å; V291-F300 HydrophobicContact CB-CZ 3.63Å; V291-F300 HydrophobicContact CG1-CE1 3.94Å; V291-F300 HydrophobicContact CG1-CE2 3.81Å; V291-F300 HydrophobicContact CG1-CZ 3.4Å; V291-F300 HydrophobicContact CG2-CD2 4.4Å; V291-F300 HydrophobicContact CG2-CE2 3.92Å; V291-F300 HydrophobicContact CG2-CZ 4.39Å; V291-F300 PolarHBondContact N-O 3.38Å; V291-F300 PolarHBondContact O-N 3.45Å; D293-F300 HydrophobicContact CB-CE1 4.13Å
301Q84.9Confident74.5Confident96 Ų96120 Ų12045%0.44962%0.617SS.*EExtended strand (participates in β ladder)trans-84.2132.4177.6-164.8164.836.100110L263 H288 R289 R303L263-Q301 HydrophobicContact CD2-CB 3.9Å; H288-Q301 PolarHBondContact O-NE2 2.92Å; R289-Q301 HydrophobicContact CB-CG 4.44Å; Q301-R303 PolarHBondContact O-N 2.84Å; Q301-R303 VanDerWaalsContact O-N 3.14Å
302S80.8Confident73.6Confident59 Ų59124.1 Ų124.141%0.41364%0.635SS.*  trans-61.2115.4173.5-174.50000109.2R289 E304R289-S302 PolarHBondContact O-N 3.31Å; S302-E304 PolarHBondContact O-N 3.42Å
303R70.8Confident72.6Confident232 Ų232127.9 Ų127.988%0.87565%0.651SS**  trans-75.9115.4167.7-71-176.4171.9-178.7-2.5107.2Q301 R305Q301-R303 PolarHBondContact O-N 2.84Å; Q301-R303 VanDerWaalsContact O-N 3.14Å; R303-R305 PolarHBondContact O-N 3.15Å
304E55.5Low71.7Confident129 Ų129133.7 Ų133.760%0.60368%0.679SS**  trans-55.3109.7164.7-84.6171.8159.500107.4R289 S302 S306R289-E304 IonicContact CZ-OE1 2.69Å; R289-E304 IonicContact CZ-OE2 2.73Å; R289-E304 IonicContact NH1-OE1 3.5Å; R289-E304 PolarHBondContact NH1-OE1 3.14Å; R289-E304 IonicContact NH1-OE2 3.13Å; R289-E304 PolarHBondContact NH1-OE2 3.25Å; R289-E304 IonicContact NH2-OE1 3.53Å; R289-E304 PolarHBondContact NH2-OE1 3.18Å; R289-E304 IonicContact NH2-OE2 2.85Å; S302-E304 PolarHBondContact O-N 3.42Å; E304-S306 VanDerWaalsContact C-N 3.25Å; E304-S306 PolarHBondContact O-N 2.97Å; E304-S306 VanDerWaalsContact O-N 3.08Å
305R41.8Very low70.4Confident236 Ų236132.4 Ų132.489%0.89167%0.671SS**  trans-69.796.7156.4-81.5-177.5169.8-176.9-3.1104.9R303 L307R303-R305 PolarHBondContact O-N 3.15Å; R305-L307 PolarHBondContact O-N 2.94Å
306S37.4Very low69.4Low113 Ų113135.7 Ų135.779%0.7966%0.663SS**  trans-53.3109.1159.2-450000106.8E304E304-S306 VanDerWaalsContact C-N 3.25Å; E304-S306 PolarHBondContact O-N 2.97Å; E304-S306 VanDerWaalsContact O-N 3.08Å
307L35.2Very low68Low237 Ų237138.1 Ų138.1100%1.24167%0.67SS**  trans-85.70154.1-74.7173.3000107.6R305R305-L307 PolarHBondContact O-N 2.94Å

Retrieved 307 of 307 residues in 219.4 ms (Link to these results)

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