A0A077ZEM5_TRITR Loading...

PTR2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEM5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 415 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
1M71.6Confident80.2Confident40 Ų4021.5 Ų21.520%0.19710%0.1CC..  0-69.40-71.3-52.9163.300113.6A3 L4 L5 H63 L66 F144 A147M1-A3 PolarHBondContact O-N 3.46Å; M1-A3 VanDerWaalsContact O-N 3.11Å; M1-L4 PolarHBondContact O-N 3.07Å; M1-L5 WeakPolarHBondContact O-CB 3.42Å; M1-L5 PolarHBondContact O-N 3.21Å; M1-H63 HydrophobicContact CE-CB 4.06Å; M1-H63 WeakPolarHBondContact CE-CD2 3.43Å; M1-H63 VanDerWaalsContact CE-CG 3.45Å; M1-H63 VanDerWaalsContact CE-NE2 3.3Å; M1-H63 WeakPolarHBondContact CE-NE2 3.46Å; M1-H63 VanDerWaalsContact CG-NE2 3.32Å; M1-H63 WeakPolarHBondContact CG-NE2 3.36Å; M1-L66 HydrophobicContact CE-CD2 3.59Å; M1-L66 HydrophobicContact SD-CD2 3.47Å; M1-L66 WeakPolarHBondContact SD-CD2 3.17Å; M1-F144 HydrophobicContact CE-CB 4.29Å; M1-F144 HydrophobicContact CE-CD1 3.51Å; M1-F144 HydrophobicContact CE-CE1 4.22Å; M1-F144 HydrophobicContact CE-CG 4.25Å; M1-F144 HydrophobicContact SD-CD1 3.73Å; M1-F144 HydrophobicContact SD-CE1 3.82Å; M1-A147 HydrophobicContact CE-CB 4.3Å
2R77Confident80.1Confident108 Ų10826.6 Ų26.641%0.40812%0.124SC..Hα-helixtrans-48-44.7-178.8-74.2-176-71.9175.3-0.3113.9L4 F24R2-L4 VanDerWaalsContact C-N 3.29Å; R2-L4 PolarHBondContact O-N 3.39Å; R2-F24 HydrophobicContact CB-CE2 4.35Å; R2-F24 HydrophobicContact CB-CZ 4.31Å; R2-F24 HydrophobicContact CG-CE2 4.46Å; R2-F24 HydrophobicContact CG-CZ 4.31Å; R2-F24 WeakPolarHBondContact O-CE2 3.35Å
3A76.7Confident80.1Confident8 Ų827.5 Ų27.57%0.06613%0.13CC..Hα-helixtrans-62.6-28.4179.100000115.3M1 L7 P128 A284 Q287M1-A3 PolarHBondContact O-N 3.46Å; M1-A3 VanDerWaalsContact O-N 3.11Å; A3-L7 VanDerWaalsContact O-CD1 3.26Å; A3-L7 WeakPolarHBondContact O-CD1 3.45Å; A3-P128 HydrophobicContact CB-CB 3.96Å; A3-P128 HydrophobicContact CB-CG 4.42Å; A3-A284 HydrophobicContact CB-CB 3.94Å; A3-Q287 HydrophobicContact CB-CB 4.11Å; A3-Q287 HydrophobicContact CB-CG 3.59Å
4L82.2Confident80.1Confident3 Ų338.1 Ų38.12%0.01618%0.176CC..Hα-helixtrans-106.4-28.6-175.1-71.9178.8000112.9M1 R2 I6 L7 Y8 C131 Q135 W140 F144 A284M1-L4 PolarHBondContact O-N 3.07Å; R2-L4 VanDerWaalsContact C-N 3.29Å; R2-L4 PolarHBondContact O-N 3.39Å; L4-I6 PolarHBondContact O-N 3.03Å; L4-L7 PolarHBondContact O-N 3.28Å; L4-Y8 WeakPolarHBondContact O-CB 3.41Å; L4-Y8 PolarHBondContact O-N 3.09Å; L4-C131 HydrophobicContact CD1-CB 3.69Å; L4-Q135 HydrophobicContact CD2-CB 4.07Å; L4-Q135 HydrophobicContact CD2-CG 4.09Å; L4-W140 HydrophobicContact CD2-CZ3 4.27Å; L4-F144 HydrophobicContact CB-CE1 3.71Å; L4-F144 HydrophobicContact CB-CZ 4.27Å; L4-F144 HydrophobicContact CD1-CD1 4.15Å; L4-F144 HydrophobicContact CD1-CE1 4.1Å; L4-A284 HydrophobicContact CD2-CB 3.88Å
5L82.7Confident80.3Confident1 Ų139 Ų391%0.00518%0.177CC..Hα-helixtrans-61.6-47.8-168.8-179.762.8000111.7M1 L7 Y8 L9 F24 Y27 L80M1-L5 WeakPolarHBondContact O-CB 3.42Å; M1-L5 PolarHBondContact O-N 3.21Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.86Å; L5-Y8 PolarHBondContact O-N 3.17Å; L5-L9 HydrophobicContact CD1-CD1 4.31Å; L5-L9 HydrophobicContact CD1-CG 4.34Å; L5-L9 HydrophobicContact CG-CD1 4.11Å; L5-L9 VanDerWaalsContact O-CG 3.24Å; L5-L9 WeakPolarHBondContact O-CG 3.37Å; L5-L9 PolarHBondContact O-N 3.04Å; L5-F24 HydrophobicContact CB-CD2 4.3Å; L5-F24 HydrophobicContact CD2-CD2 4.05Å; L5-F24 HydrophobicContact CG-CD2 4.31Å; L5-Y27 HydrophobicContact CD2-CD1 3.73Å; L5-Y27 HydrophobicContact CD2-CE1 4.2Å; L5-Y27 HydrophobicContact CD2-CG 4.03Å; L5-L80 HydrophobicContact CD1-CD2 3.88Å; L5-L80 HydrophobicContact CD2-CD2 3.84Å
6I84.1Confident80.6Confident0 Ų044 Ų440%021%0.206CC..Hα-helixtrans-67.3-36.4-178.5-162.3167.4000112.2L4 L9 T10 Y21 F24 L266L4-I6 PolarHBondContact O-N 3.03Å; I6-L9 PolarHBondContact O-N 3.47Å; I6-T10 WeakPolarHBondContact O-CG2 3.47Å; I6-T10 PolarHBondContact O-N 3.16Å; I6-T10 VanDerWaalsContact O-N 3.11Å; I6-T10 PolarHBondContact O-OG1 3.44Å; I6-Y21 HydrophobicContact CD1-CD1 3.56Å; I6-Y21 HydrophobicContact CD1-CE1 3.51Å; I6-F24 HydrophobicContact CB-CD2 4.01Å; I6-F24 HydrophobicContact CB-CE2 4.39Å; I6-F24 HydrophobicContact CB-CG 4.47Å; I6-L266 HydrophobicContact CD1-CD1 3.76Å; I6-L266 HydrophobicContact CD1-CG 4.04Å; I6-L266 HydrophobicContact CG1-CD1 3.98Å; I6-L266 HydrophobicContact CG1-CD2 4.32Å; I6-L266 HydrophobicContact CG1-CG 4.14Å
7L83.5Confident80.8Confident0 Ų042.8 Ų42.80%020%0.202CC..Hα-helixtrans-68.5-38.2176-58.3168.8000111A3 L4 L5 T10 N11 W140 L266 D269 T283A3-L7 VanDerWaalsContact O-CD1 3.26Å; A3-L7 WeakPolarHBondContact O-CD1 3.45Å; L4-L7 PolarHBondContact O-N 3.28Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.86Å; L7-T10 PolarHBondContact O-N 3.41Å; L7-T10 PolarHBondContact O-OG1 3.36Å; L7-N11 WeakPolarHBondContact O-CA 3.49Å; L7-N11 WeakPolarHBondContact O-CB 3.28Å; L7-N11 PolarHBondContact O-N 2.86Å; L7-W140 HydrophobicContact CB-CH2 3.63Å; L7-W140 HydrophobicContact CB-CZ3 4.01Å; L7-L266 HydrophobicContact CD2-CD2 4.21Å; L7-D269 HydrophobicContact CD2-CB 3.98Å; L7-T283 WeakPolarHBondContact CD1-OG1 3.48Å
8Y84.2Confident81Confident1 Ų142.4 Ų42.40%0.00420%0.202CC..Iπ-helixtrans-65.9-43.2176.2-179.4-110.4000112L4 L5 T10 Q12 L13 S69 E70 L76 W140 F144L4-Y8 WeakPolarHBondContact O-CB 3.41Å; L4-Y8 PolarHBondContact O-N 3.09Å; L5-Y8 PolarHBondContact O-N 3.17Å; Y8-T10 VanDerWaalsContact C-N 3.33Å; Y8-T10 PolarHBondContact O-N 3Å; Y8-Q12 HydrophobicContact CD2-CB 3.61Å; Y8-Q12 HydrophobicContact CD2-CG 4.03Å; Y8-Q12 HydrophobicContact CE2-CB 3.72Å; Y8-Q12 HydrophobicContact CE2-CG 3.59Å; Y8-Q12 HydrophobicContact CG-CB 4.42Å; Y8-Q12 WeakPolarHBondContact O-CB 3.33Å; Y8-Q12 PolarHBondContact O-N 3.06Å; Y8-Q12 VanDerWaalsContact O-N 3.11Å; Y8-L13 HydrophobicContact CD1-CD1 4.06Å; Y8-L13 HydrophobicContact CD1-CG 4.48Å; Y8-L13 HydrophobicContact CE1-CD1 3.65Å; Y8-L13 HydrophobicContact CE1-CG 4.04Å; Y8-L13 PolarHBondContact O-N 3.24Å; Y8-S69 WeakPolarHBondContact CE1-OG 3.38Å; Y8-S69 PolarHBondContact OH-OG 3.04Å; Y8-E70 PolarHBondContact OH-N 3.29Å; Y8-L76 HydrophobicContact CD1-CD1 4.12Å; Y8-L76 HydrophobicContact CE1-CD1 3.92Å; Y8-W140 HydrophobicContact CD2-CB 3.81Å; Y8-W140 AromaticContact CD2-CD2 3.67Å; Y8-W140 HydrophobicContact CD2-CD2 3.67Å; Y8-W140 AromaticContact CD2-CE3 3.63Å; Y8-W140 HydrophobicContact CD2-CE3 3.63Å; Y8-W140 AromaticContact CD2-CG 3.75Å; Y8-W140 HydrophobicContact CD2-CG 3.75Å; Y8-W140 HydrophobicContact CD2-CZ3 4.46Å; Y8-W140 HydrophobicContact CE2-CB 3.78Å; Y8-W140 HydrophobicContact CE2-CD2 4.44Å; Y8-W140 HydrophobicContact CE2-CG 4.05Å; Y8-W140 HydrophobicContact CG-CE3 4.2Å; Y8-F144 AromaticContact CD1-CE2 3.98Å; Y8-F144 HydrophobicContact CD1-CE2 3.98Å; Y8-F144 HydrophobicContact CD1-CZ 4.03Å; Y8-F144 AromaticContact CD2-CE2 3.59Å; Y8-F144 HydrophobicContact CD2-CE2 3.59Å; Y8-F144 HydrophobicContact CD2-CZ 4.03Å; Y8-F144 HydrophobicContact CE1-CE2 4.22Å; Y8-F144 AromaticContact CE2-CE2 3.84Å; Y8-F144 HydrophobicContact CE2-CE2 3.84Å; Y8-F144 AromaticContact CG-CE2 3.65Å; Y8-F144 HydrophobicContact CG-CE2 3.65Å; Y8-F144 AromaticContact CG-CZ 3.67Å; Y8-F144 HydrophobicContact CG-CZ 3.67Å
9L82.2Confident81.1Confident0 Ų042.6 Ų42.60%020%0.203CC..Iπ-helixtrans-60.9-42.4177.3-70.4171.2000111.8L5 I6 L13 K14 Y15 A20 L23 L76L5-L9 HydrophobicContact CD1-CD1 4.31Å; L5-L9 HydrophobicContact CD1-CG 4.34Å; L5-L9 HydrophobicContact CG-CD1 4.11Å; L5-L9 VanDerWaalsContact O-CG 3.24Å; L5-L9 WeakPolarHBondContact O-CG 3.37Å; L5-L9 PolarHBondContact O-N 3.04Å; I6-L9 PolarHBondContact O-N 3.47Å; L9-L13 HydrophobicContact CD2-CD1 4.1Å; L9-L13 CarbonylContact O-C 3.58Å; L9-L13 WeakPolarHBondContact O-CB 3.3Å; L9-K14 PolarHBondContact O-N 3.44Å; L9-Y15 HydrophobicContact CD2-CD2 3.87Å; L9-Y15 HydrophobicContact CD2-CE2 4.14Å; L9-Y15 WeakPolarHBondContact O-CB 3.29Å; L9-Y15 PolarHBondContact O-N 3.46Å; L9-A20 HydrophobicContact CB-CB 3.93Å; L9-A20 HydrophobicContact CD1-CB 4.41Å; L9-L23 HydrophobicContact CD1-CB 4.33Å; L9-L23 HydrophobicContact CD1-CD2 4.15Å; L9-L23 HydrophobicContact CD1-CG 4.38Å; L9-L23 HydrophobicContact CD2-CD2 3.75Å; L9-L76 HydrophobicContact CD2-CD1 3.46Å; L9-L76 VanDerWaalsContact CD2-CD1 3.46Å; L9-L76 HydrophobicContact CD2-CD2 4.29Å
10T78.7Confident81.3Confident11 Ų1140.5 Ų40.57%0.06719%0.193CC..Iπ-helixtrans-84-49-176.549.20000112.9I6 L7 Y8 K14 A20 L266I6-T10 WeakPolarHBondContact O-CG2 3.47Å; I6-T10 PolarHBondContact O-N 3.16Å; I6-T10 VanDerWaalsContact O-N 3.11Å; I6-T10 PolarHBondContact O-OG1 3.44Å; L7-T10 PolarHBondContact O-N 3.41Å; L7-T10 PolarHBondContact O-OG1 3.36Å; Y8-T10 VanDerWaalsContact C-N 3.33Å; Y8-T10 PolarHBondContact O-N 3Å; T10-K14 VanDerWaalsContact O-CA 3.29Å; T10-K14 WeakPolarHBondContact O-CA 3.34Å; T10-K14 PolarHBondContact O-N 3.41Å; T10-A20 HydrophobicContact CG2-CB 3.7Å; T10-L266 HydrophobicContact CG2-CD1 3.9Å; T10-L266 HydrophobicContact CG2-CD2 3.79Å; T10-L266 VanDerWaalsContact OG1-CD2 3.25Å; T10-L266 WeakPolarHBondContact OG1-CD2 3.31Å
11N79.5Confident81.6Confident64 Ų6439 Ų3934%0.34219%0.185SC..Iπ-helixtrans-82.5-44.9-173.2-65.6-14.7000112.7L7 W140 D269L7-N11 WeakPolarHBondContact O-CA 3.49Å; L7-N11 WeakPolarHBondContact O-CB 3.28Å; L7-N11 PolarHBondContact O-N 2.86Å; N11-W140 HydrophobicContact CB-CZ2 4.01Å; N11-D269 PolarHBondContact ND2-OD2 2.89Å
12Q79.4Confident82.2Confident83 Ų8341.2 Ų41.239%0.38820%0.195SC..Iπ-helixtrans-87-51.2-177.2-171.7695.800112.1Y8 K14 W140Y8-Q12 HydrophobicContact CD2-CB 3.61Å; Y8-Q12 HydrophobicContact CD2-CG 4.03Å; Y8-Q12 HydrophobicContact CE2-CB 3.72Å; Y8-Q12 HydrophobicContact CE2-CG 3.59Å; Y8-Q12 HydrophobicContact CG-CB 4.42Å; Y8-Q12 WeakPolarHBondContact O-CB 3.33Å; Y8-Q12 PolarHBondContact O-N 3.06Å; Y8-Q12 VanDerWaalsContact O-N 3.11Å; Q12-K14 VanDerWaalsContact C-N 3.32Å; Q12-W140 HydrophobicContact CB-CD2 4.48Å; Q12-W140 HydrophobicContact CB-CG 4.38Å; Q12-W140 HydrophobicContact CG-CG 4.47Å; Q12-W140 VanDerWaalsContact OE1-CD1 3.27Å
13L79.5Confident82.6Confident38 Ų3836.5 Ų36.520%0.19918%0.178CC..SBendtrans-83.8-8.4-176.9-69.1175.2000113.8Y8 L9 Y15 L76Y8-L13 HydrophobicContact CD1-CD1 4.06Å; Y8-L13 HydrophobicContact CD1-CG 4.48Å; Y8-L13 HydrophobicContact CE1-CD1 3.65Å; Y8-L13 HydrophobicContact CE1-CG 4.04Å; Y8-L13 PolarHBondContact O-N 3.24Å; L9-L13 HydrophobicContact CD2-CD1 4.1Å; L9-L13 CarbonylContact O-C 3.58Å; L9-L13 WeakPolarHBondContact O-CB 3.3Å; L13-Y15 HydrophobicContact CB-CD1 4.07Å; L13-Y15 HydrophobicContact CB-CE1 4.22Å; L13-Y15 HydrophobicContact CB-CG 4.36Å; L13-Y15 WeakPolarHBondContact O-CD1 3.38Å; L13-Y15 PolarHBondContact O-N 3.2Å; L13-Y15 VanDerWaalsContact O-N 3.17Å; L13-L76 HydrophobicContact CD1-CD1 3.2Å
14K80.7Confident83.2Confident177 Ų17736.3 Ų36.377%0.7718%0.176SC*.  trans53.533.9178.2-57.6-175.3179.4-178.50112.9L9 T10 Q12L9-K14 PolarHBondContact O-N 3.44Å; T10-K14 VanDerWaalsContact O-CA 3.29Å; T10-K14 WeakPolarHBondContact O-CA 3.34Å; T10-K14 PolarHBondContact O-N 3.41Å; Q12-K14 VanDerWaalsContact C-N 3.32Å
15Y82Confident83.4Confident51 Ų5136.5 Ų36.520%0.218%0.177CC..  trans-69.9146.4172.3-73.8-0.1000109.6L9 L13 H19L9-Y15 HydrophobicContact CD2-CD2 3.87Å; L9-Y15 HydrophobicContact CD2-CE2 4.14Å; L9-Y15 WeakPolarHBondContact O-CB 3.29Å; L9-Y15 PolarHBondContact O-N 3.46Å; L13-Y15 HydrophobicContact CB-CD1 4.07Å; L13-Y15 HydrophobicContact CB-CE1 4.22Å; L13-Y15 HydrophobicContact CB-CG 4.36Å; L13-Y15 WeakPolarHBondContact O-CD1 3.38Å; L13-Y15 PolarHBondContact O-N 3.2Å; L13-Y15 VanDerWaalsContact O-N 3.17Å; Y15-H19 AromaticContact CD2-CD2 3.28Å; Y15-H19 WeakPolarHBondContact CD2-CD2 3.42Å; Y15-H19 AromaticContact CD2-NE2 3.88Å; Y15-H19 AromaticContact CE2-CD2 3.59Å; Y15-H19 AromaticContact CE2-NE2 3.69Å; Y15-H19 AromaticContact CG-CD2 3.78Å
16N85.8Confident83.6Confident119 Ų11936.6 Ų36.664%0.63618%0.178SC*.  trans-62.5150.3172.3-162.68.1000109.6T18 H19 A20N16-T18 VanDerWaalsContact C-N 3.29Å; N16-T18 PolarHBondContact O-N 2.85Å; N16-H19 PolarHBondContact O-N 3.16Å; N16-A20 PolarHBondContact O-N 3.45Å
17D83.7Confident83.8Confident24 Ų2437.3 Ų37.313%0.12818%0.181CC..Hα-helixtrans-58.1-43.2-174.1-71.2-9.8000111.8H19 A20 Y21 R270D17-H19 VanDerWaalsContact C-N 3.35Å; D17-H19 PolarHBondContact O-N 3.24Å; D17-A20 PolarHBondContact O-N 2.92Å; D17-A20 VanDerWaalsContact O-N 3.16Å; D17-Y21 HydrophobicContact CB-CD2 4.29Å; D17-Y21 HydrophobicContact CB-CE2 3.85Å; D17-Y21 WeakPolarHBondContact O-CD2 3.49Å; D17-Y21 VanDerWaalsContact O-CG 3.31Å; D17-Y21 PolarHBondContact O-N 3.38Å; D17-R270 IonicContact OD1-CZ 3.83Å; D17-R270 IonicContact OD1-NH1 3.58Å; D17-R270 IonicContact OD1-NH2 3.91Å; D17-R270 PolarHBondContact OD1-NH2 3.21Å; D17-R270 IonicContact OD2-CZ 2.67Å; D17-R270 IonicContact OD2-NH1 2.68Å; D17-R270 PolarHBondContact OD2-NH1 2.98Å; D17-R270 IonicContact OD2-NH2 3.55Å; D17-R270 PolarHBondContact OD2-NH2 3.29Å
18T84.4Confident84.1Confident35 Ų3537.4 Ų37.422%0.21518%0.182CC..Hα-helixtrans-52.7-51.3174.5-55.20000111.5N16 A20 Y21 E22 D408N16-T18 VanDerWaalsContact C-N 3.29Å; N16-T18 PolarHBondContact O-N 2.85Å; T18-A20 VanDerWaalsContact C-N 3.34Å; T18-A20 PolarHBondContact O-N 3.07Å; T18-Y21 PolarHBondContact O-N 2.89Å; T18-E22 WeakPolarHBondContact O-CG 3.26Å; T18-E22 PolarHBondContact O-N 2.9Å; T18-D408 WeakPolarHBondContact CA-OD1 3.49Å; T18-D408 VanDerWaalsContact CB-OD1 3.24Å; T18-D408 WeakPolarHBondContact CB-OD1 2.89Å; T18-D408 WeakPolarHBondContact CG2-OD1 3.25Å; T18-D408 PolarHBondContact OG1-OD1 3.48Å
19H83.1Confident84.2Confident47 Ų4737.4 Ų37.422%0.21818%0.182CC..Hα-helixtrans-66.2-37.4-179.9-169.452.6000112Y15 N16 D17 L23 Y77 E207Y15-H19 AromaticContact CD2-CD2 3.28Å; Y15-H19 WeakPolarHBondContact CD2-CD2 3.42Å; Y15-H19 AromaticContact CD2-NE2 3.88Å; Y15-H19 AromaticContact CE2-CD2 3.59Å; Y15-H19 AromaticContact CE2-NE2 3.69Å; Y15-H19 AromaticContact CG-CD2 3.78Å; N16-H19 PolarHBondContact O-N 3.16Å; D17-H19 VanDerWaalsContact C-N 3.35Å; D17-H19 PolarHBondContact O-N 3.24Å; H19-L23 WeakPolarHBondContact O-CB 3.35Å; H19-L23 PolarHBondContact O-N 3.43Å; H19-Y77 PolarHBondContact NE2-OH 3.49Å; H19-E207 IonicContact CE1-OE1 3.35Å
20A85.9Confident84.4Confident0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-65.1-41.4175.700000111.9L9 T10 N16 D17 T18 F24L9-A20 HydrophobicContact CB-CB 3.93Å; L9-A20 HydrophobicContact CD1-CB 4.41Å; T10-A20 HydrophobicContact CG2-CB 3.7Å; N16-A20 PolarHBondContact O-N 3.45Å; D17-A20 PolarHBondContact O-N 2.92Å; D17-A20 VanDerWaalsContact O-N 3.16Å; T18-A20 VanDerWaalsContact C-N 3.34Å; T18-A20 PolarHBondContact O-N 3.07Å; A20-F24 WeakPolarHBondContact O-CB 3.47Å; A20-F24 PolarHBondContact O-N 3.19Å
21Y86.7Confident84.8Confident9 Ų938 Ų384%0.03519%0.185CC..Hα-helixtrans-67.5-41.9176.3-67.5-48.5000112.5I6 D17 T18 S25 L266 A407 D408I6-Y21 HydrophobicContact CD1-CD1 3.56Å; I6-Y21 HydrophobicContact CD1-CE1 3.51Å; D17-Y21 HydrophobicContact CB-CD2 4.29Å; D17-Y21 HydrophobicContact CB-CE2 3.85Å; D17-Y21 WeakPolarHBondContact O-CD2 3.49Å; D17-Y21 VanDerWaalsContact O-CG 3.31Å; D17-Y21 PolarHBondContact O-N 3.38Å; T18-Y21 PolarHBondContact O-N 2.89Å; Y21-S25 WeakPolarHBondContact O-CB 3.33Å; Y21-S25 PolarHBondContact O-N 3.48Å; Y21-S25 PolarHBondContact O-OG 2.91Å; Y21-L266 HydrophobicContact CE1-CD1 3.69Å; Y21-L266 WeakPolarHBondContact OH-CD1 3.42Å; Y21-A407 HydrophobicContact CD1-CB 3.56Å; Y21-A407 HydrophobicContact CD2-CB 4.05Å; Y21-A407 HydrophobicContact CE1-CB 3.66Å; Y21-A407 HydrophobicContact CE2-CB 4.14Å; Y21-A407 HydrophobicContact CG-CB 3.78Å; Y21-D408 HydrophobicContact CD2-CB 4.39Å
22E85.2Confident85.1Confident87 Ų8737.3 Ų37.341%0.40718%0.178SC..Hα-helixtrans-61.7-47.9176.6-75.4178.1172.100111.1T18 S25 A26T18-E22 WeakPolarHBondContact O-CG 3.26Å; T18-E22 PolarHBondContact O-N 2.9Å; E22-S25 PolarHBondContact O-OG 3.45Å; E22-A26 WeakPolarHBondContact O-CB 3.35Å; E22-A26 PolarHBondContact O-N 3.41Å
23L85.6Confident85.3Confident8 Ų834.5 Ų34.54%0.04217%0.166CC..Hα-helixtrans-67.8-41.7179.6-172.956.2000112.3L9 H19 Y27 L76 Y77 L80 F204L9-L23 HydrophobicContact CD1-CB 4.33Å; L9-L23 HydrophobicContact CD1-CD2 4.15Å; L9-L23 HydrophobicContact CD1-CG 4.38Å; L9-L23 HydrophobicContact CD2-CD2 3.75Å; H19-L23 WeakPolarHBondContact O-CB 3.35Å; H19-L23 PolarHBondContact O-N 3.43Å; L23-Y27 WeakPolarHBondContact O-CB 3.35Å; L23-Y27 PolarHBondContact O-N 2.97Å; L23-L76 HydrophobicContact CD2-CD2 3.67Å; L23-Y77 HydrophobicContact CD1-CD1 4.02Å; L23-Y77 HydrophobicContact CD1-CE1 3.73Å; L23-Y77 HydrophobicContact CD2-CD1 4.31Å; L23-Y77 HydrophobicContact CD2-CE1 3.62Å; L23-Y77 HydrophobicContact CG-CE1 4.34Å; L23-L80 HydrophobicContact CD1-CD1 4.04Å; L23-L80 HydrophobicContact CD2-CD1 4.29Å; L23-L80 HydrophobicContact CG-CD1 4.05Å; L23-F204 HydrophobicContact CD1-CB 4.37Å; L23-F204 HydrophobicContact CD1-CD1 3.47Å; L23-F204 VanDerWaalsContact CD1-CD1 3.47Å; L23-F204 HydrophobicContact CD1-CE1 3.96Å; L23-F204 HydrophobicContact CD1-CG 4.14Å
24F87.4Confident85.5Confident5 Ų533.7 Ų33.72%0.02216%0.163CC..Hα-helixtrans-63.8-46.5177.2179.3-91.7000112R2 L5 I6 A20 Y27 C28 G261R2-F24 HydrophobicContact CB-CE2 4.35Å; R2-F24 HydrophobicContact CB-CZ 4.31Å; R2-F24 HydrophobicContact CG-CE2 4.46Å; R2-F24 HydrophobicContact CG-CZ 4.31Å; R2-F24 WeakPolarHBondContact O-CE2 3.35Å; L5-F24 HydrophobicContact CB-CD2 4.3Å; L5-F24 HydrophobicContact CD2-CD2 4.05Å; L5-F24 HydrophobicContact CG-CD2 4.31Å; I6-F24 HydrophobicContact CB-CD2 4.01Å; I6-F24 HydrophobicContact CB-CE2 4.39Å; I6-F24 HydrophobicContact CB-CG 4.47Å; A20-F24 WeakPolarHBondContact O-CB 3.47Å; A20-F24 PolarHBondContact O-N 3.19Å; F24-Y27 PolarHBondContact O-N 3.38Å; F24-C28 WeakPolarHBondContact O-CB 3.13Å; F24-C28 PolarHBondContact O-N 3.3Å; F24-C28 PolarHBondContact O-SG 2.84Å; F24-C28 VanDerWaalsContact O-SG 3.4Å; F24-G261 WeakPolarHBondContact CZ-O 3.44Å
25S87.2Confident85.6Confident6 Ų625.7 Ų25.74%0.04213%0.129CC..Hα-helixtrans-66.4-44.2178.960.60000111.2Y21 E22 Y27 C28 S29 N400Y21-S25 WeakPolarHBondContact O-CB 3.33Å; Y21-S25 PolarHBondContact O-N 3.48Å; Y21-S25 PolarHBondContact O-OG 2.91Å; E22-S25 PolarHBondContact O-OG 3.45Å; S25-Y27 VanDerWaalsContact C-N 3.32Å; S25-Y27 PolarHBondContact O-N 3.27Å; S25-C28 PolarHBondContact O-N 3.46Å; S25-S29 WeakPolarHBondContact O-CB 3.35Å; S25-S29 PolarHBondContact O-N 2.92Å; S25-S29 PolarHBondContact O-OG 3.38Å; S25-N400 VanDerWaalsContact CB-O 3.23Å; S25-N400 WeakPolarHBondContact CB-O 3.24Å
26A87.5Confident85.6Confident3 Ų326.8 Ų26.83%0.02514%0.138CC..Hα-helixtrans-57.1-44.817400000112E22 S29 L30 F204 S209E22-A26 WeakPolarHBondContact O-CB 3.35Å; E22-A26 PolarHBondContact O-N 3.41Å; A26-S29 PolarHBondContact O-N 2.99Å; A26-L30 WeakPolarHBondContact O-CB 3.35Å; A26-L30 WeakPolarHBondContact O-CG 3.38Å; A26-L30 PolarHBondContact O-N 3.48Å; A26-F204 HydrophobicContact CB-CD1 4.28Å; A26-F204 HydrophobicContact CB-CE1 3.83Å; A26-S209 WeakPolarHBondContact CB-OG 3.36Å
27Y88Confident85.3Confident15 Ų1526.6 Ų26.66%0.05914%0.136CC..Hα-helixtrans-59.1-54.5174.6165.2-99.5000111.4L5 L23 F24 S25 S29 L30 V31 L80 I83 V84L5-Y27 HydrophobicContact CD2-CD1 3.73Å; L5-Y27 HydrophobicContact CD2-CE1 4.2Å; L5-Y27 HydrophobicContact CD2-CG 4.03Å; L23-Y27 WeakPolarHBondContact O-CB 3.35Å; L23-Y27 PolarHBondContact O-N 2.97Å; F24-Y27 PolarHBondContact O-N 3.38Å; S25-Y27 VanDerWaalsContact C-N 3.32Å; S25-Y27 PolarHBondContact O-N 3.27Å; Y27-S29 VanDerWaalsContact C-N 3.29Å; Y27-S29 PolarHBondContact O-N 3.36Å; Y27-L30 PolarHBondContact O-N 3.47Å; Y27-V31 HydrophobicContact CD2-CG2 4.21Å; Y27-V31 HydrophobicContact CE1-CG2 4.15Å; Y27-V31 HydrophobicContact CE2-CG2 3.79Å; Y27-V31 VanDerWaalsContact O-CG2 3.27Å; Y27-V31 WeakPolarHBondContact O-CG2 3.32Å; Y27-V31 PolarHBondContact O-N 2.86Å; Y27-L80 HydrophobicContact CD2-CB 4.29Å; Y27-L80 HydrophobicContact CD2-CD2 3.79Å; Y27-L80 HydrophobicContact CD2-CG 4.49Å; Y27-L80 HydrophobicContact CE2-CD2 4.04Å; Y27-L80 HydrophobicContact CG-CD2 4.3Å; Y27-I83 HydrophobicContact CE2-CB 4.48Å; Y27-I83 HydrophobicContact CE2-CG2 4.02Å; Y27-I83 WeakPolarHBondContact OH-CG2 3.36Å; Y27-V84 HydrophobicContact CD2-CG2 3.6Å; Y27-V84 HydrophobicContact CE2-CG2 3.79Å
28C89Confident85.2Confident3 Ų325.7 Ų25.72%0.0213%0.133CC..Hα-helixtrans-60.6-39.3-179.4-72.90000111.7F24 S25 V31 Y32 N400F24-C28 WeakPolarHBondContact O-CB 3.13Å; F24-C28 PolarHBondContact O-N 3.3Å; F24-C28 PolarHBondContact O-SG 2.84Å; F24-C28 VanDerWaalsContact O-SG 3.4Å; S25-C28 PolarHBondContact O-N 3.46Å; C28-V31 WeakPolarHBondContact O-CB 3.34Å; C28-V31 PolarHBondContact O-N 3.13Å; C28-Y32 VanDerWaalsContact O-CD2 3.27Å; C28-Y32 WeakPolarHBondContact O-CD2 3.15Å; C28-Y32 PolarHBondContact O-N 2.92Å; C28-N400 HydrophobicContact CB-CB 3.83Å; C28-N400 VanDerWaalsContact CB-OD1 3.28Å; C28-N400 WeakPolarHBondContact CB-OD1 3.49Å
29S87.2Confident84.9Confident0 Ų024.5 Ų24.50%013%0.127CC..Hα-helixtrans-64.3-46.4177.6-63.70000112.3S25 A26 Y27 V31 Y32 V33 A397 Y401S25-S29 WeakPolarHBondContact O-CB 3.35Å; S25-S29 PolarHBondContact O-N 2.92Å; S25-S29 PolarHBondContact O-OG 3.38Å; A26-S29 PolarHBondContact O-N 2.99Å; Y27-S29 VanDerWaalsContact C-N 3.29Å; Y27-S29 PolarHBondContact O-N 3.36Å; S29-V31 VanDerWaalsContact C-N 3.29Å; S29-V31 PolarHBondContact O-N 3.37Å; S29-Y32 PolarHBondContact O-N 3.26Å; S29-Y32 VanDerWaalsContact O-N 3.09Å; S29-V33 PolarHBondContact O-N 3.06Å; S29-A397 VanDerWaalsContact CB-O 3.29Å; S29-A397 WeakPolarHBondContact CB-O 3.47Å; S29-A397 WeakPolarHBondContact O-CB 3.35Å; S29-A397 PolarHBondContact OG-O 3.36Å; S29-Y401 PolarHBondContact OG-N 2.89Å
30L85.3Confident84.7Confident12 Ų1228 Ų286%0.06314%0.142CC..Hα-helixtrans-65.4-32.6178-72.3172.4000112.5A26 Y27 Y32 V33 T34 V84 I200 F204A26-L30 WeakPolarHBondContact O-CB 3.35Å; A26-L30 WeakPolarHBondContact O-CG 3.38Å; A26-L30 PolarHBondContact O-N 3.48Å; Y27-L30 PolarHBondContact O-N 3.47Å; L30-Y32 PolarHBondContact O-N 2.95Å; L30-V33 PolarHBondContact O-N 3.33Å; L30-T34 WeakPolarHBondContact O-CB 3.5Å; L30-T34 PolarHBondContact O-N 2.95Å; L30-T34 PolarHBondContact O-OG1 2.99Å; L30-V84 HydrophobicContact CB-CG1 3.76Å; L30-V84 HydrophobicContact CB-CG2 4.32Å; L30-I200 HydrophobicContact CD1-CG2 4.16Å; L30-F204 HydrophobicContact CD1-CE1 4Å; L30-F204 HydrophobicContact CD1-CE2 4.13Å; L30-F204 HydrophobicContact CD1-CZ 3.61Å
31V87.7Confident84.2Confident13 Ų1329.6 Ų29.68%0.07915%0.15CC..Hα-helixtrans-58.7-28.5172.8165.10000112.1Y27 C28 S29 P35 V84 Y87Y27-V31 HydrophobicContact CD2-CG2 4.21Å; Y27-V31 HydrophobicContact CE1-CG2 4.15Å; Y27-V31 HydrophobicContact CE2-CG2 3.79Å; Y27-V31 VanDerWaalsContact O-CG2 3.27Å; Y27-V31 WeakPolarHBondContact O-CG2 3.32Å; Y27-V31 PolarHBondContact O-N 2.86Å; C28-V31 WeakPolarHBondContact O-CB 3.34Å; C28-V31 PolarHBondContact O-N 3.13Å; S29-V31 VanDerWaalsContact C-N 3.29Å; S29-V31 PolarHBondContact O-N 3.37Å; V31-P35 WeakPolarHBondContact O-CD 3.28Å; V31-P35 WeakPolarHBondContact O-CG 3.41Å; V31-V84 HydrophobicContact CG2-CG2 3.98Å; V31-Y87 HydrophobicContact CB-CD1 4.32Å; V31-Y87 HydrophobicContact CG1-CD1 3.41Å; V31-Y87 VanDerWaalsContact CG1-CD1 3.41Å; V31-Y87 HydrophobicContact CG1-CD2 4.48Å; V31-Y87 HydrophobicContact CG1-CE1 3.31Å; V31-Y87 HydrophobicContact CG1-CE2 4.4Å; V31-Y87 HydrophobicContact CG1-CG 4Å; V31-Y87 WeakPolarHBondContact O-CD1 3.42Å; V31-Y87 WeakPolarHBondContact O-CE1 3.31Å
32Y85.7Confident83.8Confident49 Ų4929.2 Ų29.219%0.19215%0.149CC..Hα-helixtrans-89.8-25.6174.9-78-81.5000114.3C28 S29 L30 N400C28-Y32 VanDerWaalsContact O-CD2 3.27Å; C28-Y32 WeakPolarHBondContact O-CD2 3.15Å; C28-Y32 PolarHBondContact O-N 2.92Å; S29-Y32 PolarHBondContact O-N 3.26Å; S29-Y32 VanDerWaalsContact O-N 3.09Å; L30-Y32 PolarHBondContact O-N 2.95Å; Y32-N400 WeakPolarHBondContact CE2-ND2 3.46Å
33V82.9Confident83.5Confident24 Ų2430.4 Ų30.415%0.14516%0.158CC..Hα-helixtrans-78.7-44176.9177.30000111.7S29 L30 P35 I36 L213 A397S29-V33 PolarHBondContact O-N 3.06Å; L30-V33 PolarHBondContact O-N 3.33Å; V33-P35 VanDerWaalsContact C-CD 3.47Å; V33-I36 WeakPolarHBondContact O-CB 3.45Å; V33-I36 PolarHBondContact O-N 3.28Å; V33-I36 VanDerWaalsContact O-N 3.11Å; V33-L213 HydrophobicContact CG2-CD2 3.88Å; V33-A397 HydrophobicContact CG2-CB 3.55Å
34T83.6Confident83Confident20 Ų2035.8 Ų35.812%0.12318%0.181CC..Hα-helixtrans-61.5-34.7-172.2-45.40000114L30 I36 L37 G38 V84L30-T34 WeakPolarHBondContact O-CB 3.5Å; L30-T34 PolarHBondContact O-N 2.95Å; L30-T34 PolarHBondContact O-OG1 2.99Å; T34-I36 PolarHBondContact O-N 3.31Å; T34-L37 PolarHBondContact O-N 2.94Å; T34-L37 VanDerWaalsContact O-N 3.11Å; T34-G38 PolarHBondContact O-N 3.22Å; T34-V84 HydrophobicContact CG2-CG1 4.4Å; T34-V84 WeakPolarHBondContact OG1-CG1 3.25Å
35P84.8Confident82.2Confident9 Ų936.8 Ų36.86%0.05819%0.188CC..Hα-helixtrans-57.9-29.5174-26.934.4000115V31 V33 G38 G39 Y87 G88 K91 S92V31-P35 WeakPolarHBondContact O-CD 3.28Å; V31-P35 WeakPolarHBondContact O-CG 3.41Å; V33-P35 VanDerWaalsContact C-CD 3.47Å; P35-G38 PolarHBondContact O-N 2.96Å; P35-G39 PolarHBondContact O-N 3.32Å; P35-Y87 HydrophobicContact CG-CD1 4.07Å; P35-Y87 HydrophobicContact CG-CE1 4.06Å; P35-G88 WeakPolarHBondContact CA-O 3.24Å; P35-K91 HydrophobicContact CG-CB 4.3Å; P35-S92 WeakPolarHBondContact O-CB 3.43Å; P35-S92 PolarHBondContact O-OG 3.42Å
36I81.1Confident81.4Confident74 Ų7437.1 Ų37.138%0.37919%0.189SC..Hα-helixtrans-65.2-45176.5-57.5174.8000109.7V33 T34 F40 L393V33-I36 WeakPolarHBondContact O-CB 3.45Å; V33-I36 PolarHBondContact O-N 3.28Å; V33-I36 VanDerWaalsContact O-N 3.11Å; T34-I36 PolarHBondContact O-N 3.31Å; I36-F40 PolarHBondContact O-N 3.49Å; I36-L393 HydrophobicContact CD1-CB 4.37Å; I36-L393 HydrophobicContact CD1-CD1 4.39Å
37L80.3Confident80.8Confident116 Ų11637.5 Ų37.561%0.60719%0.193SC*.Hα-helixtrans-69.4-40.9176.2-61.7176.1000111.4T34 F40 L41T34-L37 PolarHBondContact O-N 2.94Å; T34-L37 VanDerWaalsContact O-N 3.11Å; L37-F40 PolarHBondContact O-N 3.34Å; L37-L41 WeakPolarHBondContact O-CB 3.33Å; L37-L41 PolarHBondContact O-N 2.87Å
38G80.1Confident80.4Confident5 Ų537.1 Ų37.15%0.05219%0.192CC..Hα-helixtrans-64.7-37.2179.800000113.6T34 P35 A42 N93T34-G38 PolarHBondContact O-N 3.22Å; P35-G38 PolarHBondContact O-N 2.96Å; G38-A42 WeakPolarHBondContact O-CB 3.36Å; G38-A42 PolarHBondContact O-N 2.88Å; G38-N93 PolarHBondContact O-ND2 3.47Å; G38-N93 VanDerWaalsContact O-ND2 3.13Å
39G78.6Confident80.1Confident10 Ų1039.7 Ų39.710%0.10320%0.201CC..Hα-helixtrans-64.2-49.717200000112.2P35 L41 A42 D43 S92 N93P35-G39 PolarHBondContact O-N 3.32Å; G39-L41 VanDerWaalsContact C-N 3.3Å; G39-L41 PolarHBondContact O-N 3.22Å; G39-A42 PolarHBondContact O-N 3.36Å; G39-D43 PolarHBondContact O-N 3.49Å; G39-S92 PolarHBondContact N-OG 3.29Å; G39-N93 WeakPolarHBondContact CA-OD1 3.35Å
40F78.3Confident79.8Confident120 Ų12042.1 Ų42.153%0.52621%0.213SC..Hα-helixtrans-60.1-39.4178.4179.7-97.4000113.1I36 L37 K44I36-F40 PolarHBondContact O-N 3.49Å; L37-F40 PolarHBondContact O-N 3.34Å; F40-K44 HydrophobicContact CE1-CD 3.95Å; F40-K44 HydrophobicContact CE2-CD 4.08Å; F40-K44 VanDerWaalsContact CE2-CE 3.42Å; F40-K44 HydrophobicContact CZ-CD 3.71Å; F40-K44 PolarHBondContact O-N 3.39Å
41L77.1Confident79.8Confident34 Ų3441.6 Ų41.618%0.17821%0.21CC..Hα-helixtrans-70.1-36.9178.7-169.6147.2000111.7L37 G39 V45 L46 L89 L189 L192L37-L41 WeakPolarHBondContact O-CB 3.33Å; L37-L41 PolarHBondContact O-N 2.87Å; G39-L41 VanDerWaalsContact C-N 3.3Å; G39-L41 PolarHBondContact O-N 3.22Å; L41-V45 PolarHBondContact O-N 2.98Å; L41-L46 HydrophobicContact CD2-CB 4.48Å; L41-L46 HydrophobicContact CD2-CD1 3.15Å; L41-L46 HydrophobicContact CD2-CG 3.56Å; L41-L46 PolarHBondContact O-N 3.5Å; L41-L89 HydrophobicContact CD2-CD2 4.18Å; L41-L189 HydrophobicContact CD1-CD2 4.31Å; L41-L189 HydrophobicContact CD2-CD2 3.83Å; L41-L189 HydrophobicContact CG-CD2 4.28Å; L41-L192 HydrophobicContact CD1-CD1 4.13Å; L41-L192 HydrophobicContact CD1-CD2 4.36Å
42A77.3Confident79.8Confident1 Ų141 Ų411%0.00821%0.207CC..Iπ-helixtrans-66.5-44.8173.800000112.4G38 G39 K44 G47 A51 N93G38-A42 WeakPolarHBondContact O-CB 3.36Å; G38-A42 PolarHBondContact O-N 2.88Å; G39-A42 PolarHBondContact O-N 3.36Å; A42-K44 VanDerWaalsContact C-N 3.27Å; A42-K44 PolarHBondContact O-N 3.1Å; A42-G47 WeakPolarHBondContact O-CA 3.4Å; A42-G47 PolarHBondContact O-N 3.38Å; A42-A51 HydrophobicContact CB-CB 3.67Å; A42-N93 VanDerWaalsContact CB-CG 3.41Å; A42-N93 WeakPolarHBondContact CB-ND2 3.48Å; A42-N93 WeakPolarHBondContact CB-OD1 3.44Å
43D78.2Confident79.9Confident112 Ų11240.4 Ų40.460%0.59921%0.206SC*.Iπ-helixtrans-59.3-37.5-179.8-76.6-24.2000112.6G39G39-D43 PolarHBondContact O-N 3.49Å
44K74.9Confident80.2Confident121 Ų12141.1 Ų41.153%0.52621%0.209SC..Iπ-helixtrans-91.8-36.2-175.2-71.7-167.8174.7-171.20114.6F40 A42F40-K44 HydrophobicContact CE1-CD 3.95Å; F40-K44 HydrophobicContact CE2-CD 4.08Å; F40-K44 VanDerWaalsContact CE2-CE 3.42Å; F40-K44 HydrophobicContact CZ-CD 3.71Å; F40-K44 PolarHBondContact O-N 3.39Å; A42-K44 VanDerWaalsContact C-N 3.27Å; A42-K44 PolarHBondContact O-N 3.1Å
45V71Confident80.5Confident26 Ų2640.2 Ų40.216%0.15820%0.203CC..Iπ-helixtrans-127-58.1-163-162.90000112.9L41 V175 L176 L189L41-V45 PolarHBondContact O-N 2.98Å; V45-V175 HydrophobicContact CG1-CG1 4.48Å; V45-L176 HydrophobicContact CG1-CD2 3.94Å; V45-L176 HydrophobicContact CG1-CG 4.33Å; V45-L189 HydrophobicContact CB-CD2 4.43Å; V45-L189 HydrophobicContact CG1-CD1 3.64Å; V45-L189 HydrophobicContact CG1-CD2 4.12Å; V45-L189 HydrophobicContact CG1-CG 4.05Å
46L71Confident80.8Confident13 Ų1340 Ų407%0.06820%0.202CC..Iπ-helixtrans-81.5-31-169.2-68.8176.1000113.5L41 M50 A51 L54 L89 V171 L189L41-L46 HydrophobicContact CD2-CB 4.48Å; L41-L46 HydrophobicContact CD2-CD1 3.15Å; L41-L46 HydrophobicContact CD2-CG 3.56Å; L41-L46 PolarHBondContact O-N 3.5Å; L46-M50 HydrophobicContact CB-CB 4.44Å; L46-M50 HydrophobicContact CD2-CG 4.36Å; L46-M50 WeakPolarHBondContact O-CB 3.38Å; L46-A51 HydrophobicContact CB-CB 4.29Å; L46-A51 HydrophobicContact CD1-CB 4.22Å; L46-L54 HydrophobicContact CD1-CD1 4.07Å; L46-L54 HydrophobicContact CD2-CD1 3.95Å; L46-L89 HydrophobicContact CD1-CD2 4.25Å; L46-V171 WeakPolarHBondContact O-CG1 3.39Å; L46-V171 WeakPolarHBondContact O-CG2 3.35Å; L46-L189 HydrophobicContact CD2-CD1 3.57Å; L46-L189 HydrophobicContact CD2-CD2 4.11Å; L46-L189 HydrophobicContact CD2-CG 4.45Å; L46-L189 HydrophobicContact CG-CD1 4.38Å; L46-L189 HydrophobicContact CG-CD2 4.19Å
47G75.6Confident81.3Confident11 Ų1140.3 Ų40.311%0.11320%0.204CC..  trans71151.6-161.900000112.1A42 R49 M50 A51A42-G47 WeakPolarHBondContact O-CA 3.4Å; A42-G47 PolarHBondContact O-N 3.38Å; G47-R49 VanDerWaalsContact C-N 3.34Å; G47-R49 PolarHBondContact O-N 3.05Å; G47-M50 PolarHBondContact O-N 2.87Å; G47-A51 WeakPolarHBondContact O-CB 3.35Å; G47-A51 PolarHBondContact O-N 3.32Å; G47-A51 VanDerWaalsContact O-N 3.08Å
48N79.7Confident81.8Confident6 Ų635.6 Ų35.63%0.03218%0.18CC..Hα-helixtrans-59.8-41.8-171.4-72.3-36.8000112.7M50 A51 V52 N93 L97 E100N48-M50 PolarHBondContact O-N 2.68Å; N48-A51 PolarHBondContact O-N 2.8Å; N48-V52 VanDerWaalsContact O-CG2 3.28Å; N48-V52 WeakPolarHBondContact O-CG2 3.14Å; N48-V52 PolarHBondContact O-N 3.43Å; N48-N93 PolarHBondContact OD1-OD1 2.89Å; N48-L97 HydrophobicContact CB-CB 4.17Å; N48-L97 HydrophobicContact CB-CD1 4.25Å; N48-E100 PolarHBondContact ND2-OE1 2.82Å
49R81.1Confident82.4Confident58 Ų5836.1 Ų36.122%0.21918%0.181CC..Hα-helixtrans-60.8-46.8180-169.6179.472.8-161.12.6113.1G47 M53 L97 F158G47-R49 VanDerWaalsContact C-N 3.34Å; G47-R49 PolarHBondContact O-N 3.05Å; R49-M53 HydrophobicContact CG-CE 4.29Å; R49-M53 WeakPolarHBondContact O-CG 3.31Å; R49-M53 PolarHBondContact O-N 2.95Å; R49-L97 HydrophobicContact CB-CD1 4.37Å; R49-F158 HydrophobicContact CG-CE1 4.3Å; R49-F158 HydrophobicContact CG-CZ 4.28Å
50M81.6Confident83Confident51 Ų5136 Ų3625%0.25118%0.18SC..Hα-helixtrans-71.3-37.6-179.1-169.768.5-177.100111.3L46 G47 N48 V52 M53 L54 V171L46-M50 HydrophobicContact CB-CB 4.44Å; L46-M50 HydrophobicContact CD2-CG 4.36Å; L46-M50 WeakPolarHBondContact O-CB 3.38Å; G47-M50 PolarHBondContact O-N 2.87Å; N48-M50 PolarHBondContact O-N 2.68Å; M50-V52 VanDerWaalsContact C-N 3.33Å; M50-V52 PolarHBondContact O-N 3.21Å; M50-M53 HydrophobicContact CB-CE 4.42Å; M50-M53 PolarHBondContact O-N 2.85Å; M50-M53 HydrophobicContact SD-CE 3.56Å; M50-M53 VanDerWaalsContact SD-CE 3.56Å; M50-L54 HydrophobicContact CE-CD1 4.01Å; M50-L54 HydrophobicContact CE-CD2 4Å; M50-L54 HydrophobicContact CE-CG 3.93Å; M50-L54 HydrophobicContact CG-CD1 3.95Å; M50-L54 HydrophobicContact CG-CG 4.27Å; M50-L54 WeakPolarHBondContact O-CB 3.24Å; M50-L54 WeakPolarHBondContact O-CG 3.42Å; M50-L54 PolarHBondContact O-N 2.87Å; M50-V171 HydrophobicContact CB-CG2 3.84Å; M50-V171 HydrophobicContact CG-CG2 4.31Å
51A86.1Confident83.7Confident0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-61.9-41.6176.400000111.8A42 L46 G47 N48 G55 N93A42-A51 HydrophobicContact CB-CB 3.67Å; L46-A51 HydrophobicContact CB-CB 4.29Å; L46-A51 HydrophobicContact CD1-CB 4.22Å; G47-A51 WeakPolarHBondContact O-CB 3.35Å; G47-A51 PolarHBondContact O-N 3.32Å; G47-A51 VanDerWaalsContact O-N 3.08Å; N48-A51 PolarHBondContact O-N 2.8Å; A51-G55 PolarHBondContact O-N 3.09Å; A51-N93 HydrophobicContact CB-CB 4.06Å; A51-N93 VanDerWaalsContact CB-ND2 3.35Å; A51-N93 WeakPolarHBondContact CB-ND2 3.45Å
52V87.7Confident84.3Confident2 Ų232.5 Ų32.51%0.01217%0.165CC..Hα-helixtrans-62.6-46.3174.5171.80000111.7N48 M50 G55 A56 F90 N93 V94 L97 F158N48-V52 VanDerWaalsContact O-CG2 3.28Å; N48-V52 WeakPolarHBondContact O-CG2 3.14Å; N48-V52 PolarHBondContact O-N 3.43Å; M50-V52 VanDerWaalsContact C-N 3.33Å; M50-V52 PolarHBondContact O-N 3.21Å; V52-G55 PolarHBondContact O-N 3.29Å; V52-A56 WeakPolarHBondContact O-CB 3.34Å; V52-A56 PolarHBondContact O-N 2.82Å; V52-F90 HydrophobicContact CG1-CD2 3.89Å; V52-F90 HydrophobicContact CG1-CE2 3.8Å; V52-N93 HydrophobicContact CG2-CB 3.86Å; V52-V94 HydrophobicContact CB-CG2 4.35Å; V52-V94 HydrophobicContact CG1-CG2 3.69Å; V52-V94 HydrophobicContact CG2-CB 4.36Å; V52-V94 HydrophobicContact CG2-CG2 3.66Å; V52-L97 HydrophobicContact CG2-CD2 4.37Å; V52-F158 HydrophobicContact CB-CZ 4.42Å; V52-F158 HydrophobicContact CG1-CE1 4.27Å; V52-F158 HydrophobicContact CG1-CE2 4.15Å; V52-F158 HydrophobicContact CG1-CZ 3.97Å
53M87.2Confident84.9Confident36 Ų3633 Ų3318%0.17717%0.168CC..Hα-helixtrans-63.6-46.3178.9-68.5-176.1-59.400112.4R49 M50 G55 L57 F158 L159R49-M53 HydrophobicContact CG-CE 4.29Å; R49-M53 WeakPolarHBondContact O-CG 3.31Å; R49-M53 PolarHBondContact O-N 2.95Å; M50-M53 HydrophobicContact CB-CE 4.42Å; M50-M53 PolarHBondContact O-N 2.85Å; M50-M53 HydrophobicContact SD-CE 3.56Å; M50-M53 VanDerWaalsContact SD-CE 3.56Å; M53-G55 VanDerWaalsContact C-N 3.35Å; M53-L57 VanDerWaalsContact O-CB 3.29Å; M53-L57 WeakPolarHBondContact O-CB 3.4Å; M53-L57 PolarHBondContact O-N 3.48Å; M53-F158 HydrophobicContact CG-CD1 3.83Å; M53-F158 HydrophobicContact CG-CE1 3.54Å; M53-F158 HydrophobicContact SD-CE1 4.24Å; M53-L159 HydrophobicContact CG-CD2 4.28Å; M53-L159 HydrophobicContact SD-CD2 3.51Å; M53-L159 VanDerWaalsContact SD-CD2 3.51Å
54L88.1Confident85.5Confident39 Ų3931.7 Ų31.720%0.20416%0.164CC..Hα-helixtrans-64.5-41.3177.1-73.1174.9000111.4L46 M50 L57 L58 L89L46-L54 HydrophobicContact CD1-CD1 4.07Å; L46-L54 HydrophobicContact CD2-CD1 3.95Å; M50-L54 HydrophobicContact CE-CD1 4.01Å; M50-L54 HydrophobicContact CE-CD2 4Å; M50-L54 HydrophobicContact CE-CG 3.93Å; M50-L54 HydrophobicContact CG-CD1 3.95Å; M50-L54 HydrophobicContact CG-CG 4.27Å; M50-L54 WeakPolarHBondContact O-CB 3.24Å; M50-L54 WeakPolarHBondContact O-CG 3.42Å; M50-L54 PolarHBondContact O-N 2.87Å; L54-L57 PolarHBondContact O-N 3.49Å; L54-L58 WeakPolarHBondContact O-CB 3.46Å; L54-L58 VanDerWaalsContact O-CG 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.47Å; L54-L58 PolarHBondContact O-N 3.36Å; L54-L89 HydrophobicContact CB-CD1 4.42Å
55G90.1Very high86.1Confident0 Ų027.4 Ų27.40%015%0.147CC..Hα-helixtrans-59.9-50176.700000112.3A51 V52 M53 L57 L58 M59 G86A51-G55 PolarHBondContact O-N 3.09Å; V52-G55 PolarHBondContact O-N 3.29Å; M53-G55 VanDerWaalsContact C-N 3.35Å; G55-L57 PolarHBondContact O-N 2.69Å; G55-L58 PolarHBondContact O-N 3.36Å; G55-M59 VanDerWaalsContact O-CG 3.28Å; G55-M59 WeakPolarHBondContact O-CG 3.37Å; G55-M59 PolarHBondContact O-N 3.08Å; G55-G86 CarbonylContact C-O 3.56Å; G55-G86 WeakPolarHBondContact CA-O 3.49Å; G55-G86 CarbonylContact O-C 3.59Å; G55-G86 WeakPolarHBondContact O-CA 3.41Å
56A91.9Very high86.8Confident4 Ų426.1 Ų26.13%0.03314%0.14CC..Hα-helixtrans-63.5-39.9177.300000112.5V52 M59 A60 F90 M151 L155V52-A56 WeakPolarHBondContact O-CB 3.34Å; V52-A56 PolarHBondContact O-N 2.82Å; A56-M59 PolarHBondContact O-N 3.31Å; A56-A60 WeakPolarHBondContact O-CB 3.46Å; A56-A60 PolarHBondContact O-N 2.98Å; A56-F90 HydrophobicContact CB-CD2 3.98Å; A56-F90 HydrophobicContact CB-CE2 4.1Å; A56-M151 HydrophobicContact CB-SD 4.06Å; A56-M151 WeakPolarHBondContact O-CG 3.45Å; A56-L155 HydrophobicContact CB-CB 4.38Å; A56-L155 HydrophobicContact CB-CD1 3.87Å; A56-L155 HydrophobicContact CB-CG 4.45Å
57L91.9Very high87.3Confident81 Ų8126.3 Ų26.342%0.42414%0.144SC..Hα-helixtrans-64.5-45.8177.1-177.8143.7000111.7M53 L54 G55 A60 I61 L155M53-L57 VanDerWaalsContact O-CB 3.29Å; M53-L57 WeakPolarHBondContact O-CB 3.4Å; M53-L57 PolarHBondContact O-N 3.48Å; L54-L57 PolarHBondContact O-N 3.49Å; G55-L57 PolarHBondContact O-N 2.69Å; L57-A60 PolarHBondContact O-N 3.46Å; L57-I61 HydrophobicContact CD2-CD1 3.51Å; L57-I61 HydrophobicContact CD2-CG1 4.44Å; L57-I61 HydrophobicContact CG-CD1 4.28Å; L57-I61 WeakPolarHBondContact O-CG1 3.39Å; L57-I61 PolarHBondContact O-N 2.85Å; L57-L155 HydrophobicContact CB-CD1 3.9Å
58L91.1Very high87.5Confident17 Ų1727.7 Ų27.79%0.08916%0.155CC..Hα-helixtrans-60.3-46.4174.4-74.3171.6000110.9L54 G55 A60 I61 G62 I82 C85 L89 L193L54-L58 WeakPolarHBondContact O-CB 3.46Å; L54-L58 VanDerWaalsContact O-CG 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.47Å; L54-L58 PolarHBondContact O-N 3.36Å; G55-L58 PolarHBondContact O-N 3.36Å; L58-A60 VanDerWaalsContact C-N 3.32Å; L58-A60 PolarHBondContact O-N 3.1Å; L58-I61 PolarHBondContact O-N 3.15Å; L58-G62 PolarHBondContact O-N 3.11Å; L58-I82 HydrophobicContact CB-CG2 4.2Å; L58-I82 HydrophobicContact CD2-CG2 4.25Å; L58-I82 WeakPolarHBondContact O-CG2 3.5Å; L58-C85 HydrophobicContact CD1-CB 4.4Å; L58-L89 HydrophobicContact CD1-CD1 4.07Å; L58-L193 HydrophobicContact CD1-CD1 3.74Å; L58-L193 HydrophobicContact CD2-CD1 4.05Å; L58-L193 HydrophobicContact CG-CD1 4.26Å
59M91.7Very high87.3Confident16 Ų1627.5 Ų27.58%0.07915%0.154CC..Hα-helixtrans-57.7-45.8176.9-71.1177.275.700111.4G55 A56 G62 H63 Y87 F90 M151G55-M59 VanDerWaalsContact O-CG 3.28Å; G55-M59 WeakPolarHBondContact O-CG 3.37Å; G55-M59 PolarHBondContact O-N 3.08Å; A56-M59 PolarHBondContact O-N 3.31Å; M59-G62 PolarHBondContact O-N 3.41Å; M59-H63 PolarHBondContact O-N 3.19Å; M59-H63 PolarHBondContact O-ND1 3.19Å; M59-Y87 HydrophobicContact CE-CD2 3.97Å; M59-Y87 HydrophobicContact SD-CD2 4.41Å; M59-F90 HydrophobicContact SD-CB 4.13Å; M59-F90 HydrophobicContact SD-CG 4.37Å; M59-M151 HydrophobicContact CB-CE 4.18Å; M59-M151 HydrophobicContact CB-CG 4.09Å; M59-M151 HydrophobicContact CB-SD 4.3Å; M59-M151 HydrophobicContact CE-CE 3.55Å; M59-M151 HydrophobicContact SD-CE 3.99Å
60A92.4Very high86.8Confident9 Ų929.2 Ų29.27%0.07417%0.165CC..Hα-helixtrans-58.8-49.1176.900000111.9A56 L57 L58 G62 H63 V64 M151 I152A56-A60 WeakPolarHBondContact O-CB 3.46Å; A56-A60 PolarHBondContact O-N 2.98Å; L57-A60 PolarHBondContact O-N 3.46Å; L58-A60 VanDerWaalsContact C-N 3.32Å; L58-A60 PolarHBondContact O-N 3.1Å; A60-G62 VanDerWaalsContact C-N 3.33Å; A60-G62 PolarHBondContact O-N 3.19Å; A60-H63 PolarHBondContact O-N 3.46Å; A60-V64 WeakPolarHBondContact O-CG2 3.42Å; A60-V64 PolarHBondContact O-N 3.27Å; A60-M151 HydrophobicContact CB-CB 4.3Å; A60-M151 HydrophobicContact CB-CG 3.97Å; A60-I152 HydrophobicContact CB-CG1 3.84Å
61I91.2Very high86.3Confident79 Ų7932.5 Ų32.541%0.40518%0.182SC..Hα-helixtrans-58.5-46.5176-67.3171.9000110.5L57 L58 H63 V64 V65L57-I61 HydrophobicContact CD2-CD1 3.51Å; L57-I61 HydrophobicContact CD2-CG1 4.44Å; L57-I61 HydrophobicContact CG-CD1 4.28Å; L57-I61 WeakPolarHBondContact O-CG1 3.39Å; L57-I61 PolarHBondContact O-N 2.85Å; L58-I61 PolarHBondContact O-N 3.15Å; I61-H63 VanDerWaalsContact C-N 3.31Å; I61-H63 PolarHBondContact O-N 3.36Å; I61-V64 PolarHBondContact O-N 2.99Å; I61-V65 HydrophobicContact CG2-CG2 4.14Å; I61-V65 VanDerWaalsContact O-CG2 3.29Å; I61-V65 WeakPolarHBondContact O-CG2 3.47Å; I61-V65 PolarHBondContact O-N 3.24Å
62G90.5Very high85.6Confident0 Ų037.6 Ų37.60%021%0.205CC..Hα-helixtrans-59.2-40.1178.900000112.7L58 M59 A60 V65 L66 S79L58-G62 PolarHBondContact O-N 3.11Å; M59-G62 PolarHBondContact O-N 3.41Å; A60-G62 VanDerWaalsContact C-N 3.33Å; A60-G62 PolarHBondContact O-N 3.19Å; G62-V65 PolarHBondContact O-N 3.2Å; G62-L66 WeakPolarHBondContact O-CB 3.49Å; G62-L66 PolarHBondContact O-N 3.36Å; G62-S79 VanDerWaalsContact O-CB 3.23Å; G62-S79 WeakPolarHBondContact O-CB 3.32Å
63H90.7Very high84.9Confident12 Ų1240.6 Ų40.66%0.05623%0.225CC..Hα-helixtrans-68.1-38.1176.6-70.951.2000112.2M1 M59 A60 I61 L66 G67 A148M1-H63 HydrophobicContact CE-CB 4.06Å; M1-H63 WeakPolarHBondContact CE-CD2 3.43Å; M1-H63 VanDerWaalsContact CE-CG 3.45Å; M1-H63 VanDerWaalsContact CE-NE2 3.3Å; M1-H63 WeakPolarHBondContact CE-NE2 3.46Å; M1-H63 VanDerWaalsContact CG-NE2 3.32Å; M1-H63 WeakPolarHBondContact CG-NE2 3.36Å; M59-H63 PolarHBondContact O-N 3.19Å; M59-H63 PolarHBondContact O-ND1 3.19Å; A60-H63 PolarHBondContact O-N 3.46Å; I61-H63 VanDerWaalsContact C-N 3.31Å; I61-H63 PolarHBondContact O-N 3.36Å; H63-L66 PolarHBondContact O-N 3.36Å; H63-G67 PolarHBondContact O-N 3.14Å; H63-A148 HydrophobicContact CB-CB 3.61Å
64V89.8Confident84.4Confident85 Ų8541.8 Ų41.852%0.51524%0.237SC..Hα-helixtrans-64.4-45.2174.1174.30000110.9A60 I61 L66 G67 A68 A148A60-V64 WeakPolarHBondContact O-CG2 3.42Å; A60-V64 PolarHBondContact O-N 3.27Å; I61-V64 PolarHBondContact O-N 2.99Å; V64-L66 VanDerWaalsContact C-N 3.3Å; V64-L66 PolarHBondContact O-N 3.22Å; V64-G67 PolarHBondContact O-N 2.72Å; V64-G67 VanDerWaalsContact O-N 3.17Å; V64-A68 PolarHBondContact O-N 3.08Å; V64-A148 HydrophobicContact CG2-CB 3.83Å
65V87.7Confident84.2Confident30 Ų3043.4 Ų43.418%0.18224%0.243CC..Hα-helixtrans-64.3-35.7177.1177.10000111.2I61 G62 A68 S69 F75 L78I61-V65 HydrophobicContact CG2-CG2 4.14Å; I61-V65 VanDerWaalsContact O-CG2 3.29Å; I61-V65 WeakPolarHBondContact O-CG2 3.47Å; I61-V65 PolarHBondContact O-N 3.24Å; G62-V65 PolarHBondContact O-N 3.2Å; V65-A68 CarbonylContact O-C 3.49Å; V65-A68 PolarHBondContact O-N 3.2Å; V65-A68 VanDerWaalsContact O-N 3.15Å; V65-S69 PolarHBondContact O-N 3.11Å; V65-F75 HydrophobicContact CG1-CB 4.26Å; V65-F75 HydrophobicContact CG1-CD1 4.07Å; V65-L78 HydrophobicContact CG1-CD2 4.49Å
66L86.1Confident83.9Confident0 Ų043.4 Ų43.40%024%0.243CC..Hα-helixtrans-66.8-36.9174.1-170.668.1000111.7M1 G62 H63 V64 A68 S69 L76 S79 F144M1-L66 HydrophobicContact CE-CD2 3.59Å; M1-L66 HydrophobicContact SD-CD2 3.47Å; M1-L66 WeakPolarHBondContact SD-CD2 3.17Å; G62-L66 WeakPolarHBondContact O-CB 3.49Å; G62-L66 PolarHBondContact O-N 3.36Å; H63-L66 PolarHBondContact O-N 3.36Å; V64-L66 VanDerWaalsContact C-N 3.3Å; V64-L66 PolarHBondContact O-N 3.22Å; L66-A68 PolarHBondContact O-N 3.2Å; L66-S69 WeakPolarHBondContact O-CB 3.42Å; L66-S69 PolarHBondContact O-N 3.08Å; L66-S69 PolarHBondContact O-OG 3.29Å; L66-L76 HydrophobicContact CD1-CG 4.21Å; L66-S79 WeakPolarHBondContact CD1-OG 3.5Å; L66-F144 HydrophobicContact CD2-CD1 3.63Å; L66-F144 HydrophobicContact CD2-CD2 4.19Å; L66-F144 HydrophobicContact CD2-CE1 3.6Å; L66-F144 HydrophobicContact CD2-CE2 4.18Å; L66-F144 HydrophobicContact CD2-CG 3.92Å; L66-F144 HydrophobicContact CD2-CZ 3.88Å; L66-F144 HydrophobicContact CG-CD1 4.33Å; L66-F144 HydrophobicContact CG-CD2 4.02Å; L66-F144 HydrophobicContact CG-CE1 4.39Å; L66-F144 HydrophobicContact CG-CE2 4.1Å; L66-F144 HydrophobicContact CG-CG 4.13Å; L66-F144 HydrophobicContact CG-CZ 4.28Å
67G81.5Confident83.5Confident16 Ų1644.2 Ų44.217%0.16525%0.245CC..Hα-helixtrans-60-30.8171.300000112.9H63 V64 A141H63-G67 PolarHBondContact O-N 3.14Å; V64-G67 PolarHBondContact O-N 2.72Å; V64-G67 VanDerWaalsContact O-N 3.17Å; G67-A141 WeakPolarHBondContact O-CB 3.41Å
68A80Confident83.2Confident41 Ų4143.4 Ų43.434%0.33924%0.24SC..THydrogen-bonded Turntrans-87.12.6175.600000114.1V64 V65 L66 E70 I71V64-A68 PolarHBondContact O-N 3.08Å; V65-A68 CarbonylContact O-C 3.49Å; V65-A68 PolarHBondContact O-N 3.2Å; V65-A68 VanDerWaalsContact O-N 3.15Å; L66-A68 PolarHBondContact O-N 3.2Å; A68-E70 PolarHBondContact O-N 3.34Å; A68-I71 PolarHBondContact O-N 2.97Å
69S75.6Confident83Confident1 Ų142.6 Ų42.61%0.00724%0.236CC..THydrogen-bonded Turntrans-72.7-6.7-175.767.30000114.7Y8 V65 L66 I71Y8-S69 WeakPolarHBondContact CE1-OG 3.38Å; Y8-S69 PolarHBondContact OH-OG 3.04Å; V65-S69 PolarHBondContact O-N 3.11Å; L66-S69 WeakPolarHBondContact O-CB 3.42Å; L66-S69 PolarHBondContact O-N 3.08Å; L66-S69 PolarHBondContact O-OG 3.29Å; S69-I71 PolarHBondContact O-N 3.32Å
70E69.7Low82.9Confident95 Ų9541.9 Ų41.944%0.44423%0.233SC..THydrogen-bonded Turntrans-60.9-23.9171.2-63.2-176.6-178.200112.5Y8 A68Y8-E70 PolarHBondContact OH-N 3.29Å; A68-E70 PolarHBondContact O-N 3.34Å
71I70.7Confident82.6Confident119 Ų11941.5 Ų41.561%0.6123%0.229SC*.SBendtrans-78.8-44.2-176.5-52.7171.8000111.5A68 S69A68-I71 PolarHBondContact O-N 2.97Å; S69-I71 PolarHBondContact O-N 3.32Å
72H72.5Confident82.5Confident107 Ų10738.6 Ų38.650%0.49522%0.215SC..  trans-150.2137.4179.3-73.8-63.7000113S74 F75H72-S74 PolarHBondContact O-N 3.36Å; H72-S74 VanDerWaalsContact O-N 3.11Å; H72-F75 HydrophobicContact CB-CD2 3.74Å; H72-F75 HydrophobicContact CB-CE2 4.01Å; H72-F75 WeakPolarHBondContact O-CB 3.33Å; H72-F75 PolarHBondContact O-N 3.18Å
73P73Confident82.6Confident65 Ų6538.7 Ų38.742%0.42222%0.215SC..Hα-helixtrans-57.3-27.7177.3-26.334.1000114.8F75 L76 Y77P73-F75 PolarHBondContact O-N 3.11Å; P73-L76 WeakPolarHBondContact O-CB 3.42Å; P73-L76 PolarHBondContact O-N 3.28Å; P73-L76 VanDerWaalsContact O-N 3.1Å; P73-Y77 VanDerWaalsContact O-CD2 3.28Å; P73-Y77 WeakPolarHBondContact O-CD2 3.37Å
74S77.2Confident82.4Confident62 Ų6238.1 Ų38.143%0.43421%0.212SC..Hα-helixtrans-60.5-32.117651.60000112.9H72 L76 Y77 L78H72-S74 PolarHBondContact O-N 3.36Å; H72-S74 VanDerWaalsContact O-N 3.11Å; S74-L76 VanDerWaalsContact C-N 3.29Å; S74-L76 PolarHBondContact O-N 3.32Å; S74-Y77 PolarHBondContact O-N 3.44Å; S74-L78 WeakPolarHBondContact O-CB 3.23Å; S74-L78 PolarHBondContact O-N 2.92Å; S74-L78 VanDerWaalsContact O-N 3.08Å
75F82.5Confident82.4Confident73 Ų7334.4 Ų34.432%0.3219%0.19SC..Hα-helixtrans-68.2-29.3176.3-71-61.1000112.4V65 H72 P73 L78 S79V65-F75 HydrophobicContact CG1-CB 4.26Å; V65-F75 HydrophobicContact CG1-CD1 4.07Å; H72-F75 HydrophobicContact CB-CD2 3.74Å; H72-F75 HydrophobicContact CB-CE2 4.01Å; H72-F75 WeakPolarHBondContact O-CB 3.33Å; H72-F75 PolarHBondContact O-N 3.18Å; P73-F75 PolarHBondContact O-N 3.11Å; F75-L78 HydrophobicContact CD1-CD2 4.43Å; F75-S79 VanDerWaalsContact O-CB 3.29Å; F75-S79 WeakPolarHBondContact O-CB 3.29Å; F75-S79 PolarHBondContact O-N 3.21Å; F75-S79 PolarHBondContact O-OG 3.48Å
76L83.6Confident82.5Confident0 Ų033 Ų330%018%0.182CC..Hα-helixtrans-62.7-53.2173.9-176.5152.8000110.4Y8 L9 L13 L23 L66 P73 S74 L78 S79 L80Y8-L76 HydrophobicContact CD1-CD1 4.12Å; Y8-L76 HydrophobicContact CE1-CD1 3.92Å; L9-L76 HydrophobicContact CD2-CD1 3.46Å; L9-L76 VanDerWaalsContact CD2-CD1 3.46Å; L9-L76 HydrophobicContact CD2-CD2 4.29Å; L13-L76 HydrophobicContact CD1-CD1 3.2Å; L23-L76 HydrophobicContact CD2-CD2 3.67Å; L66-L76 HydrophobicContact CD1-CG 4.21Å; P73-L76 WeakPolarHBondContact O-CB 3.42Å; P73-L76 PolarHBondContact O-N 3.28Å; P73-L76 VanDerWaalsContact O-N 3.1Å; S74-L76 VanDerWaalsContact C-N 3.29Å; S74-L76 PolarHBondContact O-N 3.32Å; L76-L78 VanDerWaalsContact C-N 3.28Å; L76-L78 PolarHBondContact O-N 3.02Å; L76-S79 PolarHBondContact O-N 3.19Å; L76-S79 PolarHBondContact O-OG 3.19Å; L76-L80 HydrophobicContact CD2-CD1 3.48Å; L76-L80 VanDerWaalsContact CD2-CD1 3.48Å; L76-L80 HydrophobicContact CD2-CG 3.98Å; L76-L80 HydrophobicContact CG-CD1 4.47Å; L76-L80 WeakPolarHBondContact O-CG 3.43Å; L76-L80 PolarHBondContact O-N 3.02Å
77Y84.1Confident82.7Confident20 Ų2035.3 Ų35.38%0.07819%0.191CC..Hα-helixtrans-62.2-39-179.6-60.3-68.7000111.9H19 L23 P73 S74 A81 F204 W205H19-Y77 PolarHBondContact NE2-OH 3.49Å; L23-Y77 HydrophobicContact CD1-CD1 4.02Å; L23-Y77 HydrophobicContact CD1-CE1 3.73Å; L23-Y77 HydrophobicContact CD2-CD1 4.31Å; L23-Y77 HydrophobicContact CD2-CE1 3.62Å; L23-Y77 HydrophobicContact CG-CE1 4.34Å; P73-Y77 VanDerWaalsContact O-CD2 3.28Å; P73-Y77 WeakPolarHBondContact O-CD2 3.37Å; S74-Y77 PolarHBondContact O-N 3.44Å; Y77-A81 WeakPolarHBondContact O-CB 3.35Å; Y77-A81 PolarHBondContact O-N 3.06Å; Y77-F204 HydrophobicContact CD1-CB 3.66Å; Y77-F204 HydrophobicContact CD1-CG 4.44Å; Y77-F204 HydrophobicContact CE1-CB 4.34Å; Y77-F204 HydrophobicContact CG-CB 4.44Å; Y77-W205 AromaticContact CD2-CD1 3.49Å; Y77-W205 VanDerWaalsContact CD2-CD1 3.49Å; Y77-W205 AromaticContact CD2-NE1 3.6Å; Y77-W205 AromaticContact CE2-CD1 3.96Å; Y77-W205 AromaticContact CE2-NE1 3.94Å; Y77-W205 AromaticContact CG-CD1 3.87Å
78L85.6Confident82.9Confident64 Ų6434.6 Ų34.634%0.33518%0.183SC..Hα-helixtrans-61-47.8174.4-173.567.1000112.5V65 S74 F75 L76 A81 I82 T201V65-L78 HydrophobicContact CG1-CD2 4.49Å; S74-L78 WeakPolarHBondContact O-CB 3.23Å; S74-L78 PolarHBondContact O-N 2.92Å; S74-L78 VanDerWaalsContact O-N 3.08Å; F75-L78 HydrophobicContact CD1-CD2 4.43Å; L76-L78 VanDerWaalsContact C-N 3.28Å; L76-L78 PolarHBondContact O-N 3.02Å; L78-A81 PolarHBondContact O-N 2.88Å; L78-I82 HydrophobicContact CD1-CD1 4.27Å; L78-I82 HydrophobicContact CG-CD1 3.91Å; L78-I82 VanDerWaalsContact O-CG1 3.23Å; L78-I82 WeakPolarHBondContact O-CG1 3.44Å; L78-I82 PolarHBondContact O-N 3.07Å; L78-T201 VanDerWaalsContact CA-CG2 3.44Å; L78-T201 HydrophobicContact CB-CG2 4.16Å; L78-T201 HydrophobicContact CD1-CG2 3.77Å
79S87.6Confident83.3Confident0 Ų033.6 Ų33.60%017%0.172CC..Hα-helixtrans-63.8-44.1178.761.70000112.2G62 L66 F75 L76 A81 I82 I83G62-S79 VanDerWaalsContact O-CB 3.23Å; G62-S79 WeakPolarHBondContact O-CB 3.32Å; L66-S79 WeakPolarHBondContact CD1-OG 3.5Å; F75-S79 VanDerWaalsContact O-CB 3.29Å; F75-S79 WeakPolarHBondContact O-CB 3.29Å; F75-S79 PolarHBondContact O-N 3.21Å; F75-S79 PolarHBondContact O-OG 3.48Å; L76-S79 PolarHBondContact O-N 3.19Å; L76-S79 PolarHBondContact O-OG 3.19Å; S79-A81 VanDerWaalsContact C-N 3.33Å; S79-A81 PolarHBondContact O-N 3.21Å; S79-I82 PolarHBondContact O-N 2.94Å; S79-I83 WeakPolarHBondContact O-CB 2.94Å; S79-I83 WeakPolarHBondContact O-CG1 3.36Å; S79-I83 PolarHBondContact O-N 2.9Å
80L88.5Confident83.9Confident2 Ų236.4 Ų36.41%0.0118%0.184CC..Hα-helixtrans-58.9-44.9175.3-68.6-174.8000111.4L5 L23 Y27 L76 I82 I83 V84 F204L5-L80 HydrophobicContact CD1-CD2 3.88Å; L5-L80 HydrophobicContact CD2-CD2 3.84Å; L23-L80 HydrophobicContact CD1-CD1 4.04Å; L23-L80 HydrophobicContact CD2-CD1 4.29Å; L23-L80 HydrophobicContact CG-CD1 4.05Å; Y27-L80 HydrophobicContact CD2-CB 4.29Å; Y27-L80 HydrophobicContact CD2-CD2 3.79Å; Y27-L80 HydrophobicContact CD2-CG 4.49Å; Y27-L80 HydrophobicContact CE2-CD2 4.04Å; Y27-L80 HydrophobicContact CG-CD2 4.3Å; L76-L80 HydrophobicContact CD2-CD1 3.48Å; L76-L80 VanDerWaalsContact CD2-CD1 3.48Å; L76-L80 HydrophobicContact CD2-CG 3.98Å; L76-L80 HydrophobicContact CG-CD1 4.47Å; L76-L80 WeakPolarHBondContact O-CG 3.43Å; L76-L80 PolarHBondContact O-N 3.02Å; L80-I82 PolarHBondContact O-N 3.31Å; L80-I83 PolarHBondContact O-N 3.35Å; L80-V84 WeakPolarHBondContact O-CB 3.22Å; L80-V84 WeakPolarHBondContact O-CG2 3.3Å; L80-V84 PolarHBondContact O-N 3.43Å; L80-F204 HydrophobicContact CB-CE2 4.06Å; L80-F204 HydrophobicContact CB-CZ 4.43Å
81A86.9Confident84.8Confident0 Ų036.5 Ų36.50%018%0.183CC..Hα-helixtrans-60.8-45.2177.300000112.5Y77 L78 S79 V84 C85 P197 I200 T201Y77-A81 WeakPolarHBondContact O-CB 3.35Å; Y77-A81 PolarHBondContact O-N 3.06Å; L78-A81 PolarHBondContact O-N 2.88Å; S79-A81 VanDerWaalsContact C-N 3.33Å; S79-A81 PolarHBondContact O-N 3.21Å; A81-V84 PolarHBondContact O-N 2.91Å; A81-C85 PolarHBondContact O-N 3.26Å; A81-C85 PolarHBondContact O-SG 2.86Å; A81-P197 HydrophobicContact CB-CB 4.42Å; A81-P197 WeakPolarHBondContact CB-O 3.44Å; A81-I200 HydrophobicContact CB-CB 3.82Å; A81-I200 HydrophobicContact CB-CG2 3.6Å; A81-T201 HydrophobicContact CB-CG2 3.54Å
82I89.6Confident85.4Confident19 Ų1932.1 Ų32.110%0.09716%0.163CC..Hα-helixtrans-62.8-43.5176.9-67.8167.3000110.8L58 L78 S79 L80 C85 G86 P197L58-I82 HydrophobicContact CB-CG2 4.2Å; L58-I82 HydrophobicContact CD2-CG2 4.25Å; L58-I82 WeakPolarHBondContact O-CG2 3.5Å; L78-I82 HydrophobicContact CD1-CD1 4.27Å; L78-I82 HydrophobicContact CG-CD1 3.91Å; L78-I82 VanDerWaalsContact O-CG1 3.23Å; L78-I82 WeakPolarHBondContact O-CG1 3.44Å; L78-I82 PolarHBondContact O-N 3.07Å; S79-I82 PolarHBondContact O-N 2.94Å; L80-I82 PolarHBondContact O-N 3.31Å; I82-C85 PolarHBondContact O-N 3.34Å; I82-G86 PolarHBondContact O-N 3.08Å; I82-P197 HydrophobicContact CG1-CB 4.16Å
83I90.8Very high86Confident1 Ų127 Ų271%0.00514%0.139CC..Hα-helixtrans-64-43.5178.8-68167.9000110.7Y27 S79 L80 G86 Y87Y27-I83 HydrophobicContact CE2-CB 4.48Å; Y27-I83 HydrophobicContact CE2-CG2 4.02Å; Y27-I83 WeakPolarHBondContact OH-CG2 3.36Å; S79-I83 WeakPolarHBondContact O-CB 2.94Å; S79-I83 WeakPolarHBondContact O-CG1 3.36Å; S79-I83 PolarHBondContact O-N 2.9Å; L80-I83 PolarHBondContact O-N 3.35Å; I83-G86 PolarHBondContact O-N 3.34Å; I83-Y87 VanDerWaalsContact O-CB 3.28Å; I83-Y87 WeakPolarHBondContact O-CB 3.24Å; I83-Y87 PolarHBondContact O-N 2.91Å
84V88.5Confident86.7Confident0 Ų025.1 Ų25.10%013%0.126CC..Hα-helixtrans-60.8-48.3177.2168.80000110.8Y27 L30 V31 T34 L80 A81 G86 Y87 G88 I200Y27-V84 HydrophobicContact CD2-CG2 3.6Å; Y27-V84 HydrophobicContact CE2-CG2 3.79Å; L30-V84 HydrophobicContact CB-CG1 3.76Å; L30-V84 HydrophobicContact CB-CG2 4.32Å; V31-V84 HydrophobicContact CG2-CG2 3.98Å; T34-V84 HydrophobicContact CG2-CG1 4.4Å; T34-V84 WeakPolarHBondContact OG1-CG1 3.25Å; L80-V84 WeakPolarHBondContact O-CB 3.22Å; L80-V84 WeakPolarHBondContact O-CG2 3.3Å; L80-V84 PolarHBondContact O-N 3.43Å; A81-V84 PolarHBondContact O-N 2.91Å; V84-G86 PolarHBondContact O-N 3.21Å; V84-Y87 PolarHBondContact O-N 2.75Å; V84-G88 PolarHBondContact O-N 3.42Å; V84-I200 HydrophobicContact CG1-CD1 4.01Å
85C87.9Confident87Confident8 Ų824.6 Ų24.65%0.05412%0.123CC..Hα-helixtrans-59.3-47.6175.5-75.60000111.9L58 A81 I82 G88 L89 P197 I200L58-C85 HydrophobicContact CD1-CB 4.4Å; A81-C85 PolarHBondContact O-N 3.26Å; A81-C85 PolarHBondContact O-SG 2.86Å; I82-C85 PolarHBondContact O-N 3.34Å; C85-G88 PolarHBondContact O-N 3.4Å; C85-L89 PolarHBondContact O-N 3.06Å; C85-L89 VanDerWaalsContact O-N 3.14Å; C85-P197 HydrophobicContact CB-CG 4.43Å; C85-I200 VanDerWaalsContact SG-CD1 3.52Å
86G89.6Confident87.1Confident0 Ų023.7 Ų23.70%013%0.125CC..Hα-helixtrans-62-45179.700000112.4G55 I82 I83 V84 G88 L89 F90G55-G86 CarbonylContact C-O 3.56Å; G55-G86 WeakPolarHBondContact CA-O 3.49Å; G55-G86 CarbonylContact O-C 3.59Å; G55-G86 WeakPolarHBondContact O-CA 3.41Å; I82-G86 PolarHBondContact O-N 3.08Å; I83-G86 PolarHBondContact O-N 3.34Å; V84-G86 PolarHBondContact O-N 3.21Å; G86-G88 VanDerWaalsContact C-N 3.34Å; G86-G88 PolarHBondContact O-N 3.06Å; G86-L89 PolarHBondContact O-N 3.2Å; G86-F90 WeakPolarHBondContact O-CB 3.33Å; G86-F90 PolarHBondContact O-N 2.95Å
87Y90.4Very high87.1Confident49 Ų4924 Ų2419%0.19213%0.126CC..Hα-helixtrans-63.6-40.2176.7-174-90000112V31 P35 M59 I83 V84 L89 F90 K91V31-Y87 HydrophobicContact CB-CD1 4.32Å; V31-Y87 HydrophobicContact CG1-CD1 3.41Å; V31-Y87 VanDerWaalsContact CG1-CD1 3.41Å; V31-Y87 HydrophobicContact CG1-CD2 4.48Å; V31-Y87 HydrophobicContact CG1-CE1 3.31Å; V31-Y87 HydrophobicContact CG1-CE2 4.4Å; V31-Y87 HydrophobicContact CG1-CG 4Å; V31-Y87 WeakPolarHBondContact O-CD1 3.42Å; V31-Y87 WeakPolarHBondContact O-CE1 3.31Å; P35-Y87 HydrophobicContact CG-CD1 4.07Å; P35-Y87 HydrophobicContact CG-CE1 4.06Å; M59-Y87 HydrophobicContact CE-CD2 3.97Å; M59-Y87 HydrophobicContact SD-CD2 4.41Å; I83-Y87 VanDerWaalsContact O-CB 3.28Å; I83-Y87 WeakPolarHBondContact O-CB 3.24Å; I83-Y87 PolarHBondContact O-N 2.91Å; V84-Y87 PolarHBondContact O-N 2.75Å; Y87-L89 VanDerWaalsContact C-N 3.31Å; Y87-L89 PolarHBondContact O-N 3.33Å; Y87-F90 PolarHBondContact O-N 3.42Å; Y87-F90 VanDerWaalsContact O-N 3.14Å; Y87-K91 HydrophobicContact CD1-CB 3.93Å; Y87-K91 HydrophobicContact CE1-CB 3.52Å; Y87-K91 HydrophobicContact CE1-CD 4.4Å; Y87-K91 HydrophobicContact CE1-CG 3.66Å; Y87-K91 HydrophobicContact CE2-CB 4.17Å; Y87-K91 HydrophobicContact CE2-CD 4.33Å; Y87-K91 HydrophobicContact CE2-CG 4.39Å; Y87-K91 HydrophobicContact CG-CB 4.43Å; Y87-K91 WeakPolarHBondContact O-CB 3.18Å; Y87-K91 PolarHBondContact O-N 2.97Å; Y87-K91 WeakPolarHBondContact OH-CD 3.24Å; Y87-K91 WeakPolarHBondContact OH-CE 3.35Å; Y87-K91 WeakPolarHBondContact OH-CG 3.09Å
88G87.1Confident87.1Confident0 Ų023.9 Ų23.90%013%0.127CC..Hα-helixtrans-58.2-42.1175.300000113.1P35 V84 C85 G86 S92P35-G88 WeakPolarHBondContact CA-O 3.24Å; V84-G88 PolarHBondContact O-N 3.42Å; C85-G88 PolarHBondContact O-N 3.4Å; G86-G88 VanDerWaalsContact C-N 3.34Å; G86-G88 PolarHBondContact O-N 3.06Å; G88-S92 PolarHBondContact O-OG 2.88Å
89L87.7Confident86.8Confident21 Ų2121.8 Ų21.811%0.1112%0.121CC..Hα-helixtrans-75.1-27.6174.8-68174.4000113.2L41 L46 L54 L58 C85 G86 Y87 N93L41-L89 HydrophobicContact CD2-CD2 4.18Å; L46-L89 HydrophobicContact CD1-CD2 4.25Å; L54-L89 HydrophobicContact CB-CD1 4.42Å; L58-L89 HydrophobicContact CD1-CD1 4.07Å; C85-L89 PolarHBondContact O-N 3.06Å; C85-L89 VanDerWaalsContact O-N 3.14Å; G86-L89 PolarHBondContact O-N 3.2Å; Y87-L89 VanDerWaalsContact C-N 3.31Å; Y87-L89 PolarHBondContact O-N 3.33Å; L89-N93 WeakPolarHBondContact O-CB 3.2Å; L89-N93 PolarHBondContact O-ND2 2.81Å
90F89.5Confident86.5Confident59 Ų5924.5 Ų24.526%0.25913%0.134SC..Hα-helixtrans-83-52.6-177.1-174.7-94.4000112.4V52 A56 M59 G86 Y87 S92 N93 V94V52-F90 HydrophobicContact CG1-CD2 3.89Å; V52-F90 HydrophobicContact CG1-CE2 3.8Å; A56-F90 HydrophobicContact CB-CD2 3.98Å; A56-F90 HydrophobicContact CB-CE2 4.1Å; M59-F90 HydrophobicContact SD-CB 4.13Å; M59-F90 HydrophobicContact SD-CG 4.37Å; G86-F90 WeakPolarHBondContact O-CB 3.33Å; G86-F90 PolarHBondContact O-N 2.95Å; Y87-F90 PolarHBondContact O-N 3.42Å; Y87-F90 VanDerWaalsContact O-N 3.14Å; F90-S92 PolarHBondContact O-N 3.48Å; F90-N93 PolarHBondContact O-N 3.49Å; F90-V94 HydrophobicContact CD1-CG2 4.11Å; F90-V94 HydrophobicContact CD2-CG2 3.99Å; F90-V94 HydrophobicContact CE1-CG2 3.79Å; F90-V94 HydrophobicContact CE2-CG2 3.67Å; F90-V94 HydrophobicContact CG-CG2 4.21Å; F90-V94 HydrophobicContact CZ-CG2 3.57Å; F90-V94 WeakPolarHBondContact O-CB 3.38Å; F90-V94 PolarHBondContact O-N 3.34Å
91K86.8Confident86.2Confident98 Ų9827.9 Ų27.943%0.42615%0.151SC..Hα-helixtrans-65.5-45.6-164-177.362.2173179.40113.7P35 Y87P35-K91 HydrophobicContact CG-CB 4.3Å; Y87-K91 HydrophobicContact CD1-CB 3.93Å; Y87-K91 HydrophobicContact CE1-CB 3.52Å; Y87-K91 HydrophobicContact CE1-CD 4.4Å; Y87-K91 HydrophobicContact CE1-CG 3.66Å; Y87-K91 HydrophobicContact CE2-CB 4.17Å; Y87-K91 HydrophobicContact CE2-CD 4.33Å; Y87-K91 HydrophobicContact CE2-CG 4.39Å; Y87-K91 HydrophobicContact CG-CB 4.43Å; Y87-K91 WeakPolarHBondContact O-CB 3.18Å; Y87-K91 PolarHBondContact O-N 2.97Å; Y87-K91 WeakPolarHBondContact OH-CD 3.24Å; Y87-K91 WeakPolarHBondContact OH-CE 3.35Å; Y87-K91 WeakPolarHBondContact OH-CG 3.09Å
92S83.6Confident85.8Confident26 Ų2631 Ų3118%0.18216%0.164CC..Hα-helixtrans-68.6-43.6177.155.90000111P35 G39 G88 F90 S95 C96P35-S92 WeakPolarHBondContact O-CB 3.43Å; P35-S92 PolarHBondContact O-OG 3.42Å; G39-S92 PolarHBondContact N-OG 3.29Å; G88-S92 PolarHBondContact O-OG 2.88Å; F90-S92 PolarHBondContact O-N 3.48Å; S92-S95 PolarHBondContact O-N 3.36Å; S92-C96 PolarHBondContact O-N 3.12Å; S92-C96 PolarHBondContact O-SG 3.23Å; S92-C96 VanDerWaalsContact O-SG 3.39Å
93N85.9Confident85.2Confident0 Ų036.8 Ų36.80%019%0.19CC..Hα-helixtrans-81.2-25.8-167.2-60.1-43.5000113.1G38 G39 A42 N48 A51 V52 L89 F90 C96 L97G38-N93 PolarHBondContact O-ND2 3.47Å; G38-N93 VanDerWaalsContact O-ND2 3.13Å; G39-N93 WeakPolarHBondContact CA-OD1 3.35Å; A42-N93 VanDerWaalsContact CB-CG 3.41Å; A42-N93 WeakPolarHBondContact CB-ND2 3.48Å; A42-N93 WeakPolarHBondContact CB-OD1 3.44Å; N48-N93 PolarHBondContact OD1-OD1 2.89Å; A51-N93 HydrophobicContact CB-CB 4.06Å; A51-N93 VanDerWaalsContact CB-ND2 3.35Å; A51-N93 WeakPolarHBondContact CB-ND2 3.45Å; V52-N93 HydrophobicContact CG2-CB 3.86Å; L89-N93 WeakPolarHBondContact O-CB 3.2Å; L89-N93 PolarHBondContact O-ND2 2.81Å; F90-N93 PolarHBondContact O-N 3.49Å; N93-C96 PolarHBondContact O-N 3.45Å; N93-L97 WeakPolarHBondContact O-CB 3.26Å; N93-L97 PolarHBondContact O-N 3.46Å
94V87.7Confident84.4Confident25 Ų2542 Ų4215%0.15222%0.224CC..Hα-helixtrans-61.3-44.9170.9153.40000111.2V52 F90 L97 L98 M116V52-V94 HydrophobicContact CB-CG2 4.35Å; V52-V94 HydrophobicContact CG1-CG2 3.69Å; V52-V94 HydrophobicContact CG2-CB 4.36Å; V52-V94 HydrophobicContact CG2-CG2 3.66Å; F90-V94 HydrophobicContact CD1-CG2 4.11Å; F90-V94 HydrophobicContact CD2-CG2 3.99Å; F90-V94 HydrophobicContact CE1-CG2 3.79Å; F90-V94 HydrophobicContact CE2-CG2 3.67Å; F90-V94 HydrophobicContact CG-CG2 4.21Å; F90-V94 HydrophobicContact CZ-CG2 3.57Å; F90-V94 WeakPolarHBondContact O-CB 3.38Å; F90-V94 PolarHBondContact O-N 3.34Å; V94-L97 PolarHBondContact O-N 3.24Å; V94-L98 PolarHBondContact O-N 3.49Å; V94-M116 HydrophobicContact CG1-CE 4.12Å; V94-M116 HydrophobicContact CG1-SD 4.3Å
95S83.7Confident83.9Confident52 Ų5248 Ų4836%0.36426%0.261SS..Hα-helixtrans-68.9-38.2179.6-64.50000111.7S92 L98 G99S92-S95 PolarHBondContact O-N 3.36Å; S95-L98 PolarHBondContact O-N 3.04Å; S95-G99 PolarHBondContact O-N 3.29Å
96C83.5Confident83.5Confident54 Ų5450 Ų5037%0.36527%0.271SS..Hα-helixtrans-64.8-43.5172.8-66.80000111.9S92 N93 L98 G99 E100S92-C96 PolarHBondContact O-N 3.12Å; S92-C96 PolarHBondContact O-SG 3.23Å; S92-C96 VanDerWaalsContact O-SG 3.39Å; N93-C96 PolarHBondContact O-N 3.45Å; C96-L98 VanDerWaalsContact C-N 3.33Å; C96-L98 PolarHBondContact O-N 2.95Å; C96-G99 CarbonylContact O-C 3.57Å; C96-G99 WeakPolarHBondContact O-CA 3.4Å; C96-G99 PolarHBondContact O-N 2.97Å; C96-G99 VanDerWaalsContact O-N 3.08Å; C96-E100 PolarHBondContact O-N 3.32Å
97L84.3Confident83Confident5 Ų555.5 Ų55.53%0.02631%0.307CS..Hα-helixtrans-60.8-42.2176.9-175.867.1000111.6N48 R49 V52 N93 V94 G99 E100 L101 F158 F165 T168N48-L97 HydrophobicContact CB-CB 4.17Å; N48-L97 HydrophobicContact CB-CD1 4.25Å; R49-L97 HydrophobicContact CB-CD1 4.37Å; V52-L97 HydrophobicContact CG2-CD2 4.37Å; N93-L97 WeakPolarHBondContact O-CB 3.26Å; N93-L97 PolarHBondContact O-N 3.46Å; V94-L97 PolarHBondContact O-N 3.24Å; L97-G99 VanDerWaalsContact C-N 3.3Å; L97-G99 PolarHBondContact O-N 3.42Å; L97-E100 PolarHBondContact O-N 3.03Å; L97-L101 PolarHBondContact O-N 2.83Å; L97-F158 HydrophobicContact CD2-CE2 3.69Å; L97-F158 HydrophobicContact CD2-CZ 3.59Å; L97-F165 HydrophobicContact CD2-CD1 4.47Å; L97-T168 HydrophobicContact CD1-CG2 3.73Å
98L83.9Confident82.7Confident19 Ų1962 Ų6210%0.09933%0.331CS..Hα-helixtrans-62.4-40.8173.6-17565000111.4V94 S95 C96 E100 L101 Y102 F113 M116V94-L98 PolarHBondContact O-N 3.49Å; S95-L98 PolarHBondContact O-N 3.04Å; C96-L98 VanDerWaalsContact C-N 3.33Å; C96-L98 PolarHBondContact O-N 2.95Å; L98-E100 VanDerWaalsContact C-N 3.28Å; L98-E100 PolarHBondContact O-N 3.13Å; L98-L101 HydrophobicContact CD1-CD1 4.3Å; L98-L101 PolarHBondContact O-N 2.72Å; L98-Y102 HydrophobicContact CD1-CE2 3.85Å; L98-Y102 HydrophobicContact CG-CE2 4.32Å; L98-Y102 WeakPolarHBondContact O-CD2 3.49Å; L98-F113 HydrophobicContact CD2-CD1 3.89Å; L98-F113 HydrophobicContact CD2-CE1 4.05Å; L98-F113 HydrophobicContact CD2-CG 4.2Å; L98-F113 HydrophobicContact CD2-CZ 4.48Å; L98-F113 HydrophobicContact CG-CE1 4.47Å; L98-F113 HydrophobicContact CG-CZ 4.48Å; L98-M116 HydrophobicContact CD1-CE 4.46Å; L98-M116 HydrophobicContact CD2-CB 3.77Å; L98-M116 HydrophobicContact CD2-CE 3.98Å; L98-M116 HydrophobicContact CD2-CG 4.16Å
99G79.7Confident82.2Confident19 Ų1966.1 Ų66.120%0.19635%0.346CS..Hα-helixtrans-62.9-31175.300000113.9S95 C96 L97 L101 Y102S95-G99 PolarHBondContact O-N 3.29Å; C96-G99 CarbonylContact O-C 3.57Å; C96-G99 WeakPolarHBondContact O-CA 3.4Å; C96-G99 PolarHBondContact O-N 2.97Å; C96-G99 VanDerWaalsContact O-N 3.08Å; L97-G99 VanDerWaalsContact C-N 3.3Å; L97-G99 PolarHBondContact O-N 3.42Å; G99-L101 VanDerWaalsContact C-N 3.34Å; G99-Y102 VanDerWaalsContact O-O 3.09Å
100E80.6Confident81.8Confident58 Ų5870.9 Ų70.927%0.27137%0.372SS..Hα-helixtrans-75.6-19.2176.4-73.1-177-173.900113.7N48 C96 L97 L98 Y102 T168 R169N48-E100 PolarHBondContact ND2-OE1 2.82Å; C96-E100 PolarHBondContact O-N 3.32Å; L97-E100 PolarHBondContact O-N 3.03Å; L98-E100 VanDerWaalsContact C-N 3.28Å; L98-E100 PolarHBondContact O-N 3.13Å; E100-Y102 VanDerWaalsContact C-N 3.31Å; E100-T168 HydrophobicContact CB-CG2 4.46Å; E100-R169 PolarHBondContact OE2-N 3.48Å
101L81.7Confident81.5Confident73 Ų7370.2 Ų70.238%0.38238%0.382SS..Hα-helixtrans-76.7-20178.2-73.4164.2000113.1L97 L98 G99 F165 T168L97-L101 PolarHBondContact O-N 2.83Å; L98-L101 HydrophobicContact CD1-CD1 4.3Å; L98-L101 PolarHBondContact O-N 2.72Å; G99-L101 VanDerWaalsContact C-N 3.34Å; L101-F165 HydrophobicContact CD1-CD1 4.02Å; L101-F165 HydrophobicContact CD1-CE1 3.88Å; L101-F165 HydrophobicContact CD2-CD1 4.03Å; L101-F165 HydrophobicContact CG-CD1 4.49Å; L101-T168 HydrophobicContact CD2-CG2 3.89Å; L101-T168 HydrophobicContact CG-CG2 4.22Å
102Y80.5Confident81.4Confident65 Ų6566 Ų6626%0.25537%0.366SS..SBendtrans-112.8141.7179.9-63.2-79.9000110.3L98 G99 E100 R108 R109L98-Y102 HydrophobicContact CD1-CE2 3.85Å; L98-Y102 HydrophobicContact CG-CE2 4.32Å; L98-Y102 WeakPolarHBondContact O-CD2 3.49Å; G99-Y102 VanDerWaalsContact O-O 3.09Å; E100-Y102 VanDerWaalsContact C-N 3.31Å; Y102-R108 HydrophobicContact CD1-CB 4.26Å; Y102-R108 HydrophobicContact CE1-CB 3.93Å; Y102-R109 HydrophobicContact CD1-CB 4.5Å; Y102-R109 HydrophobicContact CD2-CG 4.36Å; Y102-R109 HydrophobicContact CG-CB 4.06Å; Y102-R109 HydrophobicContact CG-CG 4.26Å
103E76.5Confident81.4Confident141 Ų14168 Ų6866%0.65937%0.372SS*.  trans-65.7147.8166.5-67.5-175.5177.100110T105 D106E103-T105 PolarHBondContact O-N 3.03Å; E103-D106 HydrophobicContact CB-CB 4.41Å; E103-D106 WeakPolarHBondContact O-CB 3.47Å; E103-D106 PolarHBondContact O-N 3.19Å
104P74.1Confident81.4Confident110 Ų11071.6 Ų71.671%0.71440%0.397SS*.THydrogen-bonded Turntrans-56.4-26.9-176.4-26.834.8000114.6
105T76.5Confident81.3Confident126 Ų12676.6 Ų76.677%0.77342%0.422SS*.THydrogen-bonded Turntrans-99.50.1-178.248.70000114E103 P107E103-T105 PolarHBondContact O-N 3.03Å; T105-P107 WeakPolarHBondContact O-CD 3.19Å
106D80.5Confident81.5Confident51 Ų5178 Ų7827%0.27342%0.423SS..  trans-72.1121.9-179.6-173.7-13.1000110.5E103 R108 R109E103-D106 HydrophobicContact CB-CB 4.41Å; E103-D106 WeakPolarHBondContact O-CB 3.47Å; E103-D106 PolarHBondContact O-N 3.19Å; D106-R108 PolarHBondContact O-N 2.85Å; D106-R108 VanDerWaalsContact O-N 3.11Å; D106-R108 WeakPolarHBondContact OD1-CB 3.4Å; D106-R108 WeakPolarHBondContact OD1-CG 3.4Å; D106-R108 PolarHBondContact OD1-N 3.2Å; D106-R109 VanDerWaalsContact O-CB 3.26Å; D106-R109 WeakPolarHBondContact O-CB 3.39Å; D106-R109 PolarHBondContact O-N 2.83Å; D106-R109 VanDerWaalsContact O-N 3.14Å
107P80Confident81.5Confident114 Ų11481.2 Ų81.274%0.7443%0.429SS*.THydrogen-bonded Turntrans-60.9-18.9177.125.5-35.8000113.7T105 R109T105-P107 WeakPolarHBondContact O-CD 3.19Å; P107-R109 VanDerWaalsContact C-N 3.27Å; P107-R109 PolarHBondContact O-N 2.76Å
108R83.2Confident81.6Confident185 Ų18583 Ų8370%0.69845%0.445SS*.Hα-helixtrans-75.8-15179.1-62.5173.7179-179.30.9113.3Y102 D106 D110 G111 G112Y102-R108 HydrophobicContact CD1-CB 4.26Å; Y102-R108 HydrophobicContact CE1-CB 3.93Å; D106-R108 PolarHBondContact O-N 2.85Å; D106-R108 VanDerWaalsContact O-N 3.11Å; D106-R108 WeakPolarHBondContact OD1-CB 3.4Å; D106-R108 WeakPolarHBondContact OD1-CG 3.4Å; D106-R108 PolarHBondContact OD1-N 3.2Å; R108-D110 PolarHBondContact O-N 3.22Å; R108-G111 PolarHBondContact O-N 3.24Å; R108-G112 PolarHBondContact O-N 3.46Å
109R77.3Confident81.9Confident88 Ų8885 Ų8533%0.33246%0.463SS..Hα-helixtrans-58.1-47.9-177.5-175175175.1-149.7-3.8111.9Y102 D106 P107 G111 G112 F113Y102-R109 HydrophobicContact CD1-CB 4.5Å; Y102-R109 HydrophobicContact CD2-CG 4.36Å; Y102-R109 HydrophobicContact CG-CB 4.06Å; Y102-R109 HydrophobicContact CG-CG 4.26Å; D106-R109 VanDerWaalsContact O-CB 3.26Å; D106-R109 WeakPolarHBondContact O-CB 3.39Å; D106-R109 PolarHBondContact O-N 2.83Å; D106-R109 VanDerWaalsContact O-N 3.14Å; P107-R109 VanDerWaalsContact C-N 3.27Å; P107-R109 PolarHBondContact O-N 2.76Å; R109-G111 VanDerWaalsContact C-N 3.31Å; R109-G111 PolarHBondContact O-N 2.92Å; R109-G112 PolarHBondContact O-N 3.43Å; R109-G112 VanDerWaalsContact O-N 3.12Å; R109-F113 HydrophobicContact CG-CD2 3.96Å; R109-F113 HydrophobicContact CG-CE2 3.76Å; R109-F113 VanDerWaalsContact O-CD2 3.27Å; R109-F113 WeakPolarHBondContact O-CD2 3.35Å; R109-F113 PolarHBondContact O-N 2.82Å
110D78.1Confident82.3Confident120 Ų12086.3 Ų86.364%0.64248%0.477SS*.Hα-helixtrans-64-38.2179.9-67.7-19.1000111.7R108 F113 S114R108-D110 PolarHBondContact O-N 3.22Å; D110-F113 PolarHBondContact O-N 3.38Å; D110-S114 WeakPolarHBondContact O-CB 3.48Å; D110-S114 PolarHBondContact O-N 3.44Å; D110-S114 PolarHBondContact O-OG 2.91Å
111G83.3Confident82.7Confident46 Ų4684.5 Ų84.547%0.47447%0.469SS..Hα-helixtrans-62.1-41.6172.900000112.3R108 R109 S114 L115R108-G111 PolarHBondContact O-N 3.24Å; R109-G111 VanDerWaalsContact C-N 3.31Å; R109-G111 PolarHBondContact O-N 2.92Å; G111-S114 PolarHBondContact O-N 3.36Å; G111-L115 WeakPolarHBondContact O-CB 3.47Å; G111-L115 PolarHBondContact O-N 2.69Å
112G85.2Confident83.2Confident8 Ų884 Ų848%0.08247%0.469CS..Hα-helixtrans-61.8-46.8175.100000113.1R108 R109 S114 L115 M116R108-G112 PolarHBondContact O-N 3.46Å; R109-G112 PolarHBondContact O-N 3.43Å; R109-G112 VanDerWaalsContact O-N 3.12Å; G112-S114 VanDerWaalsContact C-N 3.33Å; G112-S114 PolarHBondContact O-N 3.32Å; G112-L115 PolarHBondContact O-N 2.54Å; G112-M116 PolarHBondContact O-N 3.34Å
113F84Confident83.7Confident70 Ų7082.6 Ų82.631%0.30747%0.474SS..Hα-helixtrans-64.7-38175.4-80.3-76.9000112.2L98 R109 D110 M116 Y117L98-F113 HydrophobicContact CD2-CD1 3.89Å; L98-F113 HydrophobicContact CD2-CE1 4.05Å; L98-F113 HydrophobicContact CD2-CG 4.2Å; L98-F113 HydrophobicContact CD2-CZ 4.48Å; L98-F113 HydrophobicContact CG-CE1 4.47Å; L98-F113 HydrophobicContact CG-CZ 4.48Å; R109-F113 HydrophobicContact CG-CD2 3.96Å; R109-F113 HydrophobicContact CG-CE2 3.76Å; R109-F113 VanDerWaalsContact O-CD2 3.27Å; R109-F113 WeakPolarHBondContact O-CD2 3.35Å; R109-F113 PolarHBondContact O-N 2.82Å; D110-F113 PolarHBondContact O-N 3.38Å; F113-M116 PolarHBondContact O-N 3.47Å; F113-Y117 WeakPolarHBondContact O-CB 2.97Å; F113-Y117 PolarHBondContact O-N 3.36Å
114S84.2Confident84.4Confident75 Ų7578.1 Ų78.152%0.52446%0.458SS..Hα-helixtrans-64.2-41.9176.2-58.80000111.7D110 G111 G112 Y117 A118D110-S114 WeakPolarHBondContact O-CB 3.48Å; D110-S114 PolarHBondContact O-N 3.44Å; D110-S114 PolarHBondContact O-OG 2.91Å; G111-S114 PolarHBondContact O-N 3.36Å; G112-S114 VanDerWaalsContact C-N 3.33Å; G112-S114 PolarHBondContact O-N 3.32Å; S114-Y117 PolarHBondContact O-N 2.85Å; S114-A118 WeakPolarHBondContact O-CB 3.46Å; S114-A118 PolarHBondContact O-N 2.73Å
115L87.2Confident85.3Confident129 Ų12974.1 Ų74.168%0.67543%0.431SS*.Hα-helixtrans-63.7-42.6175.5-173.869.4000111.5G111 G112 Y117 A118 A119G111-L115 WeakPolarHBondContact O-CB 3.47Å; G111-L115 PolarHBondContact O-N 2.69Å; G112-L115 PolarHBondContact O-N 2.54Å; L115-Y117 VanDerWaalsContact C-N 3.32Å; L115-Y117 PolarHBondContact O-N 2.97Å; L115-A118 PolarHBondContact O-N 3.41Å; L115-A119 WeakPolarHBondContact O-CB 3.36Å; L115-A119 PolarHBondContact O-N 3.45Å
116M87.6Confident86.1Confident81 Ų8173 Ų7340%0.39942%0.419SS..Hα-helixtrans-61.8-41175.7-175.265.573.900111.6V94 L98 G112 F113 G120V94-M116 HydrophobicContact CG1-CE 4.12Å; V94-M116 HydrophobicContact CG1-SD 4.3Å; L98-M116 HydrophobicContact CD1-CE 4.46Å; L98-M116 HydrophobicContact CD2-CB 3.77Å; L98-M116 HydrophobicContact CD2-CE 3.98Å; L98-M116 HydrophobicContact CD2-CG 4.16Å; G112-M116 PolarHBondContact O-N 3.34Å; F113-M116 PolarHBondContact O-N 3.47Å; M116-G120 PolarHBondContact O-N 2.77Å
117Y83.9Confident86.7Confident123 Ų12372.9 Ų72.948%0.48243%0.425SS..Hα-helixtrans-64.7-45.2175.7-177.9-94.5000112F113 S114 L115 G120 N121F113-Y117 WeakPolarHBondContact O-CB 2.97Å; F113-Y117 PolarHBondContact O-N 3.36Å; S114-Y117 PolarHBondContact O-N 2.85Å; L115-Y117 VanDerWaalsContact C-N 3.32Å; L115-Y117 PolarHBondContact O-N 2.97Å; Y117-G120 PolarHBondContact O-N 2.77Å; Y117-N121 WeakPolarHBondContact CD1-ND2 3.33Å; Y117-N121 WeakPolarHBondContact CE1-ND2 3.41Å; Y117-N121 VanDerWaalsContact CZ-ND2 3.28Å; Y117-N121 PolarHBondContact O-N 3.08Å; Y117-N121 VanDerWaalsContact O-N 3.09Å; Y117-N121 PolarHBondContact O-ND2 3.37Å
118A86.5Confident87.2Confident43 Ų4368 Ų6836%0.35539%0.394SS..Hα-helixtrans-61.2-46.9176.200000111.4S114 L115 G120 N121 V122S114-A118 WeakPolarHBondContact O-CB 3.46Å; S114-A118 PolarHBondContact O-N 2.73Å; L115-A118 PolarHBondContact O-N 3.41Å; A118-G120 VanDerWaalsContact C-N 3.3Å; A118-G120 PolarHBondContact O-N 2.88Å; A118-N121 PolarHBondContact O-N 3.36Å; A118-V122 WeakPolarHBondContact O-CG2 3.15Å; A118-V122 PolarHBondContact O-N 2.88Å
119A90.3Very high87.6Confident59 Ų5962.7 Ų62.749%0.48838%0.378SS..Hα-helixtrans-59.4-40.3176.500000112.2L115 V122 G123L115-A119 WeakPolarHBondContact O-CB 3.36Å; L115-A119 PolarHBondContact O-N 3.45Å; A119-V122 PolarHBondContact O-N 3.24Å; A119-G123 PolarHBondContact O-N 3.33Å
120G88.2Confident88.3Confident47 Ų4760 Ų6049%0.48537%0.374SS..Hα-helixtrans-61.4-42.8175.100000113.3M116 Y117 A118 G123 S124M116-G120 PolarHBondContact O-N 2.77Å; Y117-G120 PolarHBondContact O-N 2.77Å; A118-G120 VanDerWaalsContact C-N 3.3Å; A118-G120 PolarHBondContact O-N 2.88Å; G120-G123 PolarHBondContact O-N 2.72Å; G120-S124 PolarHBondContact O-N 2.95Å
121N88.2Confident88.9Confident20 Ų2054.7 Ų54.711%0.10735%0.347CS..Hα-helixtrans-68.7-42.4176.9-78.4-78.3000112Y117 A118 G123 S124 I125Y117-N121 WeakPolarHBondContact CD1-ND2 3.33Å; Y117-N121 WeakPolarHBondContact CE1-ND2 3.41Å; Y117-N121 VanDerWaalsContact CZ-ND2 3.28Å; Y117-N121 PolarHBondContact O-N 3.08Å; Y117-N121 VanDerWaalsContact O-N 3.09Å; Y117-N121 PolarHBondContact O-ND2 3.37Å; A118-N121 PolarHBondContact O-N 3.36Å; N121-G123 VanDerWaalsContact C-N 3.32Å; N121-G123 PolarHBondContact O-N 2.77Å; N121-S124 CarbonylContact O-C 3.53Å; N121-S124 WeakPolarHBondContact O-CA 3.47Å; N121-S124 WeakPolarHBondContact O-CB 3.42Å; N121-S124 PolarHBondContact O-N 3.08Å; N121-I125 WeakPolarHBondContact O-CG1 3.29Å; N121-I125 PolarHBondContact O-N 3.06Å
122V92.1Very high89.1Confident63 Ų6352.5 Ų52.538%0.38232%0.324SS..Hα-helixtrans-59.4-44.6174.1172.70000110.9A118 A119 S124 I125 I126 M295A118-V122 WeakPolarHBondContact O-CG2 3.15Å; A118-V122 PolarHBondContact O-N 2.88Å; A119-V122 PolarHBondContact O-N 3.24Å; V122-S124 VanDerWaalsContact C-N 3.29Å; V122-S124 PolarHBondContact O-N 3.48Å; V122-I125 WeakPolarHBondContact O-CB 3.27Å; V122-I125 PolarHBondContact O-N 3.13Å; V122-I125 VanDerWaalsContact O-N 3.09Å; V122-I126 HydrophobicContact CG1-CD1 3.73Å; V122-I126 HydrophobicContact CG1-CG1 4.44Å; V122-I126 WeakPolarHBondContact O-CG1 3.01Å; V122-I126 PolarHBondContact O-N 3.24Å; V122-M295 HydrophobicContact CG2-SD 4.23Å
123G91.6Very high89.3Confident36 Ų3656.8 Ų56.837%0.37134%0.339SS..Hα-helixtrans-59.6-38.9173.300000112.7A119 G120 N121 I125 I126 A127A119-G123 PolarHBondContact O-N 3.33Å; G120-G123 PolarHBondContact O-N 2.72Å; N121-G123 VanDerWaalsContact C-N 3.32Å; N121-G123 PolarHBondContact O-N 2.77Å; G123-I125 VanDerWaalsContact C-N 3.28Å; G123-I125 PolarHBondContact O-N 3.44Å; G123-I126 PolarHBondContact O-N 2.81Å; G123-A127 WeakPolarHBondContact O-CB 3.18Å; G123-A127 PolarHBondContact O-N 3.46Å
124S90.7Very high89.6Confident46 Ų4653.9 Ų53.932%0.32233%0.328SS..Hα-helixtrans-70.9-19.3175.9-165.10000114G120 N121 V122 P128G120-S124 PolarHBondContact O-N 2.95Å; N121-S124 CarbonylContact O-C 3.53Å; N121-S124 WeakPolarHBondContact O-CA 3.47Å; N121-S124 WeakPolarHBondContact O-CB 3.42Å; N121-S124 PolarHBondContact O-N 3.08Å; V122-S124 VanDerWaalsContact C-N 3.29Å; V122-S124 PolarHBondContact O-N 3.48Å; S124-P128 WeakPolarHBondContact O-CD 3.45Å; S124-P128 VanDerWaalsContact O-CG 3.24Å; S124-P128 WeakPolarHBondContact O-CG 3.23Å
125I92.5Very high89.6Confident27 Ų2751.1 Ų51.114%0.13831%0.306CS..Hα-helixtrans-81.2-48.6171.6-66.4161.5000109.8N121 V122 G123 I129 S288 A291 F292 M295N121-I125 WeakPolarHBondContact O-CG1 3.29Å; N121-I125 PolarHBondContact O-N 3.06Å; V122-I125 WeakPolarHBondContact O-CB 3.27Å; V122-I125 PolarHBondContact O-N 3.13Å; V122-I125 VanDerWaalsContact O-N 3.09Å; G123-I125 VanDerWaalsContact C-N 3.28Å; G123-I125 PolarHBondContact O-N 3.44Å; I125-I129 HydrophobicContact CG2-CD1 4.18Å; I125-I129 VanDerWaalsContact O-CD1 3.3Å; I125-I129 WeakPolarHBondContact O-CD1 3.34Å; I125-I129 WeakPolarHBondContact O-CG1 3.38Å; I125-S288 WeakPolarHBondContact O-CB 3.36Å; I125-S288 PolarHBondContact O-OG 3.27Å; I125-A291 HydrophobicContact CG1-CB 3.67Å; I125-F292 HydrophobicContact CD1-CB 4.29Å; I125-F292 HydrophobicContact CD1-CD2 4.37Å; I125-F292 HydrophobicContact CG1-CB 4.38Å; I125-M295 HydrophobicContact CD1-CE 3.74Å; I125-M295 HydrophobicContact CD1-SD 4.34Å
126I93.2Very high89.4Confident102 Ų10249.1 Ų49.152%0.52329%0.294SS..Hα-helixtrans-71.6-42.4-174.2-63.3170.1000111.3V122 G123 I129 A130V122-I126 HydrophobicContact CG1-CD1 3.73Å; V122-I126 HydrophobicContact CG1-CG1 4.44Å; V122-I126 WeakPolarHBondContact O-CG1 3.01Å; V122-I126 PolarHBondContact O-N 3.24Å; G123-I126 PolarHBondContact O-N 2.81Å; I126-I129 PolarHBondContact O-N 3.26Å; I126-A130 WeakPolarHBondContact O-CB 3.46Å; I126-A130 PolarHBondContact O-N 2.9Å
127A92.6Very high89.3Confident48 Ų4850.2 Ų50.240%0.39730%0.298SS..Hα-helixtrans-62.8-47.5-170.700000113.7G123 I129 A130 C131G123-A127 WeakPolarHBondContact O-CB 3.18Å; G123-A127 PolarHBondContact O-N 3.46Å; A127-I129 VanDerWaalsContact C-N 3.31Å; A127-I129 PolarHBondContact O-N 3.27Å; A127-A130 PolarHBondContact O-N 2.67Å; A127-C131 VanDerWaalsContact O-CB 3.26Å; A127-C131 WeakPolarHBondContact O-CB 3.43Å; A127-C131 PolarHBondContact O-N 2.84Å; A127-C131 PolarHBondContact O-SG 3.23Å
128P91.7Very high89.3Confident13 Ų1351.7 Ų51.78%0.08430%0.303CS..Hα-helixtrans-66.9-31.3177.3-1730.7000113.1A3 S124 G132 A284 Q287 S288A3-P128 HydrophobicContact CB-CB 3.96Å; A3-P128 HydrophobicContact CB-CG 4.42Å; S124-P128 WeakPolarHBondContact O-CD 3.45Å; S124-P128 VanDerWaalsContact O-CG 3.24Å; S124-P128 WeakPolarHBondContact O-CG 3.23Å; P128-G132 WeakPolarHBondContact O-CA 3.16Å; P128-G132 PolarHBondContact O-N 3.43Å; P128-A284 WeakPolarHBondContact CB-O 3.33Å; P128-Q287 HydrophobicContact CB-CB 4.15Å; P128-Q287 HydrophobicContact CG-CB 4.13Å; P128-S288 WeakPolarHBondContact CB-OG 3.43Å; P128-S288 WeakPolarHBondContact CG-OG 3.35Å
129I91.6Very high89.3Confident72 Ų7251.7 Ų51.737%0.36930%0.301SS..Hα-helixtrans-65.8-54.7174.3-64.5169.9000110I125 I126 A127 G132 Y133 M285I125-I129 HydrophobicContact CG2-CD1 4.18Å; I125-I129 VanDerWaalsContact O-CD1 3.3Å; I125-I129 WeakPolarHBondContact O-CD1 3.34Å; I125-I129 WeakPolarHBondContact O-CG1 3.38Å; I126-I129 PolarHBondContact O-N 3.26Å; A127-I129 VanDerWaalsContact C-N 3.31Å; A127-I129 PolarHBondContact O-N 3.27Å; I129-G132 PolarHBondContact O-N 3.11Å; I129-Y133 VanDerWaalsContact O-CB 3.22Å; I129-Y133 WeakPolarHBondContact O-CB 3.39Å; I129-Y133 PolarHBondContact O-N 3.27Å; I129-M285 HydrophobicContact CG1-CB 4.49Å; I129-M285 HydrophobicContact CG1-CG 4.46Å; I129-M285 HydrophobicContact CG2-CE 4.03Å; I129-M285 HydrophobicContact CG2-SD 4.3Å
130A91.8Very high89Confident31 Ų3150.1 Ų50.126%0.25628%0.283SS..Hα-helixtrans-64.8-45.7-177.400000112.3I126 A127 A134 L146I126-A130 WeakPolarHBondContact O-CB 3.46Å; I126-A130 PolarHBondContact O-N 2.9Å; A127-A130 PolarHBondContact O-N 2.67Å; A130-A134 WeakPolarHBondContact O-CB 3.49Å; A130-A134 PolarHBondContact O-N 3.45Å; A130-L146 HydrophobicContact CB-CD1 4.41Å; A130-L146 HydrophobicContact CB-CD2 3.84Å
131C90.9Very high88.9Confident9 Ų949.3 Ų49.36%0.06127%0.271CS..Hα-helixtrans-73-34.8-179.5-54.90000111.8L4 A127 Q135L4-C131 HydrophobicContact CD1-CB 3.69Å; A127-C131 VanDerWaalsContact O-CB 3.26Å; A127-C131 WeakPolarHBondContact O-CB 3.43Å; A127-C131 PolarHBondContact O-N 2.84Å; A127-C131 PolarHBondContact O-SG 3.23Å; C131-Q135 VanDerWaalsContact O-CB 3.24Å; C131-Q135 WeakPolarHBondContact O-CB 3.23Å; C131-Q135 PolarHBondContact O-N 3.39Å
132G87.6Confident88.8Confident0 Ų053.3 Ų53.30%029%0.29CS..Hα-helixtrans-66.5-44.8175.700000112P128 I129 Q135 E136P128-G132 WeakPolarHBondContact O-CA 3.16Å; P128-G132 PolarHBondContact O-N 3.43Å; I129-G132 PolarHBondContact O-N 3.11Å; G132-Q135 PolarHBondContact O-N 3.03Å; G132-E136 PolarHBondContact O-N 3.13Å; G132-E136 VanDerWaalsContact O-N 3.12Å
133Y89Confident88.6Confident98 Ų9850.3 Ų50.338%0.38427%0.272SS..Hα-helixtrans-60.4-48.7174.3-176.5-93.2000111.9I129 Q135 E136 E137 Y279 M285I129-Y133 VanDerWaalsContact O-CB 3.22Å; I129-Y133 WeakPolarHBondContact O-CB 3.39Å; I129-Y133 PolarHBondContact O-N 3.27Å; Y133-Q135 VanDerWaalsContact C-N 3.31Å; Y133-Q135 PolarHBondContact O-N 3.03Å; Y133-E136 PolarHBondContact O-N 3.35Å; Y133-E137 WeakPolarHBondContact CE1-OE2 3.38Å; Y133-E137 PolarHBondContact O-N 3.25Å; Y133-E137 VanDerWaalsContact OH-CD 3.31Å; Y133-E137 PolarHBondContact OH-OE1 2.9Å; Y133-E137 PolarHBondContact OH-OE2 3.17Å; Y133-Y279 WeakPolarHBondContact CD2-OH 3.32Å; Y133-Y279 HydrophobicContact CE2-CE2 4.47Å; Y133-Y279 VanDerWaalsContact CE2-OH 3.25Å; Y133-Y279 WeakPolarHBondContact CE2-OH 3.23Å; Y133-M285 HydrophobicContact CD2-CE 4.34Å
134A89.3Confident88.4Confident9 Ų948.6 Ų48.67%0.07426%0.255CS..Hα-helixtrans-64.6-32.6178.900000113.6A130 Y138 S139 L146A130-A134 WeakPolarHBondContact O-CB 3.49Å; A130-A134 PolarHBondContact O-N 3.45Å; A134-Y138 WeakPolarHBondContact O-CB 3.47Å; A134-Y138 PolarHBondContact O-N 3.3Å; A134-S139 PolarHBondContact O-N 3.39Å; A134-L146 HydrophobicContact CB-CD1 3.86Å
135Q85Confident88.3Confident17 Ų1747.7 Ų47.78%0.07925%0.252CS..Hα-helixtrans-69.7-38.8176.7172.1-94.8-6900112.4L4 C131 G132 Y133 S139 W140L4-Q135 HydrophobicContact CD2-CB 4.07Å; L4-Q135 HydrophobicContact CD2-CG 4.09Å; C131-Q135 VanDerWaalsContact O-CB 3.24Å; C131-Q135 WeakPolarHBondContact O-CB 3.23Å; C131-Q135 PolarHBondContact O-N 3.39Å; G132-Q135 PolarHBondContact O-N 3.03Å; Y133-Q135 VanDerWaalsContact C-N 3.31Å; Y133-Q135 PolarHBondContact O-N 3.03Å; Q135-S139 WeakPolarHBondContact CA-O 3.21Å; Q135-W140 HydrophobicContact CG-CD2 3.72Å; Q135-W140 HydrophobicContact CG-CE3 3.49Å; Q135-W140 VanDerWaalsContact CG-CE3 3.49Å; Q135-W140 HydrophobicContact CG-CG 4.37Å; Q135-W140 HydrophobicContact CG-CH2 4.08Å; Q135-W140 HydrophobicContact CG-CZ2 4.32Å; Q135-W140 HydrophobicContact CG-CZ3 3.69Å
136E83.8Confident88.2Confident88 Ų8849.7 Ų49.741%0.41126%0.263SS..Hα-helixtrans-75.9-41.6-178.6-164.669.1-176.500112G132 Y133 P282G132-E136 PolarHBondContact O-N 3.13Å; G132-E136 VanDerWaalsContact O-N 3.12Å; Y133-E136 PolarHBondContact O-N 3.35Å; E136-P282 HydrophobicContact CB-CG 3.98Å; E136-P282 HydrophobicContact CG-CG 4.32Å
137E85.1Confident88.1Confident103 Ų10345.8 Ų45.848%0.48125%0.246SC..Hα-helixtrans-80.8-34.4-175.5-170.3176.7-157.100113.3Y133Y133-E137 WeakPolarHBondContact CE1-OE2 3.38Å; Y133-E137 PolarHBondContact O-N 3.25Å; Y133-E137 VanDerWaalsContact OH-CD 3.31Å; Y133-E137 PolarHBondContact OH-OE1 2.9Å; Y133-E137 PolarHBondContact OH-OE2 3.17Å
138Y84.5Confident88Confident154 Ų15443.7 Ų43.760%0.60423%0.228SC*.THydrogen-bonded Turntrans-113.6-68.7-173.6-61.8-89.6000113.1A134A134-Y138 WeakPolarHBondContact O-CB 3.47Å; A134-Y138 PolarHBondContact O-N 3.3Å
139S86Confident88.1Confident43 Ų4347.6 Ų47.630%0.30125%0.252SS..  trans-180164.4-179.253.70000111.6A134 Q135 A141 M142 G143A134-S139 PolarHBondContact O-N 3.39Å; Q135-S139 WeakPolarHBondContact CA-O 3.21Å; S139-A141 VanDerWaalsContact C-N 3.32Å; S139-A141 PolarHBondContact O-N 3.31Å; S139-M142 PolarHBondContact O-N 3.28Å; S139-M142 VanDerWaalsContact O-N 3.13Å; S139-M142 WeakPolarHBondContact OG-CG 3.39Å; S139-M142 PolarHBondContact OG-N 3Å; S139-G143 PolarHBondContact O-N 3.2Å
140W84.6Confident88.1Confident27 Ų2746.4 Ų46.410%0.10226%0.257CS..Hα-helixtrans-55.9-44.1171.7-65.198.9000112.9L4 L7 Y8 N11 Q12 Q135 M142 G143 F144L4-W140 HydrophobicContact CD2-CZ3 4.27Å; L7-W140 HydrophobicContact CB-CH2 3.63Å; L7-W140 HydrophobicContact CB-CZ3 4.01Å; Y8-W140 HydrophobicContact CD2-CB 3.81Å; Y8-W140 AromaticContact CD2-CD2 3.67Å; Y8-W140 HydrophobicContact CD2-CD2 3.67Å; Y8-W140 AromaticContact CD2-CE3 3.63Å; Y8-W140 HydrophobicContact CD2-CE3 3.63Å; Y8-W140 AromaticContact CD2-CG 3.75Å; Y8-W140 HydrophobicContact CD2-CG 3.75Å; Y8-W140 HydrophobicContact CD2-CZ3 4.46Å; Y8-W140 HydrophobicContact CE2-CB 3.78Å; Y8-W140 HydrophobicContact CE2-CD2 4.44Å; Y8-W140 HydrophobicContact CE2-CG 4.05Å; Y8-W140 HydrophobicContact CG-CE3 4.2Å; N11-W140 HydrophobicContact CB-CZ2 4.01Å; Q12-W140 HydrophobicContact CB-CD2 4.48Å; Q12-W140 HydrophobicContact CB-CG 4.38Å; Q12-W140 HydrophobicContact CG-CG 4.47Å; Q12-W140 VanDerWaalsContact OE1-CD1 3.27Å; Q135-W140 HydrophobicContact CG-CD2 3.72Å; Q135-W140 HydrophobicContact CG-CE3 3.49Å; Q135-W140 VanDerWaalsContact CG-CE3 3.49Å; Q135-W140 HydrophobicContact CG-CG 4.37Å; Q135-W140 HydrophobicContact CG-CH2 4.08Å; Q135-W140 HydrophobicContact CG-CZ2 4.32Å; Q135-W140 HydrophobicContact CG-CZ3 3.69Å; W140-M142 VanDerWaalsContact C-N 3.26Å; W140-M142 PolarHBondContact O-N 2.91Å; W140-G143 PolarHBondContact O-N 3.25Å; W140-G143 VanDerWaalsContact O-N 3.15Å; W140-F144 HydrophobicContact CB-CE2 4.41Å; W140-F144 WeakPolarHBondContact O-CD2 3.37Å; W140-F144 PolarHBondContact O-N 3.46Å
141A85.6Confident88.1Confident30 Ų3046.8 Ų46.825%0.24825%0.254CS..Hα-helixtrans-56.8-40.1176.200000112.2G67 S139 G145G67-A141 WeakPolarHBondContact O-CB 3.41Å; S139-A141 VanDerWaalsContact C-N 3.32Å; S139-A141 PolarHBondContact O-N 3.31Å; A141-G145 WeakPolarHBondContact O-CA 3.16Å; A141-G145 PolarHBondContact O-N 3.38Å
142M85.8Confident88.2Confident103 Ų10350.2 Ų50.251%0.50727%0.271SS..Hα-helixtrans-72-37.1176.6-69.8-61-68.700112.6S139 W140 F144 G145 L146S139-M142 PolarHBondContact O-N 3.28Å; S139-M142 VanDerWaalsContact O-N 3.13Å; S139-M142 WeakPolarHBondContact OG-CG 3.39Å; S139-M142 PolarHBondContact OG-N 3Å; W140-M142 VanDerWaalsContact C-N 3.26Å; W140-M142 PolarHBondContact O-N 2.91Å; M142-F144 PolarHBondContact O-N 3.09Å; M142-G145 PolarHBondContact O-N 2.96Å; M142-L146 WeakPolarHBondContact O-CB 3.37Å; M142-L146 PolarHBondContact O-N 3.18Å
143G87Confident88.4Confident0 Ų052.4 Ų52.40%029%0.289CS..Hα-helixtrans-59.8-44.4173.200000112.7S139 W140 A147S139-G143 PolarHBondContact O-N 3.2Å; W140-G143 PolarHBondContact O-N 3.25Å; W140-G143 VanDerWaalsContact O-N 3.15Å; G143-A147 PolarHBondContact O-N 3.46Å
144F88Confident88.5Confident1 Ų149.6 Ų49.60%0.00429%0.29CS..Hα-helixtrans-73.4-36.2174.3-62.4-49.7000112.9M1 L4 Y8 L66 W140 M142 L146 A147 A148M1-F144 HydrophobicContact CE-CB 4.29Å; M1-F144 HydrophobicContact CE-CD1 3.51Å; M1-F144 HydrophobicContact CE-CE1 4.22Å; M1-F144 HydrophobicContact CE-CG 4.25Å; M1-F144 HydrophobicContact SD-CD1 3.73Å; M1-F144 HydrophobicContact SD-CE1 3.82Å; L4-F144 HydrophobicContact CB-CE1 3.71Å; L4-F144 HydrophobicContact CB-CZ 4.27Å; L4-F144 HydrophobicContact CD1-CD1 4.15Å; L4-F144 HydrophobicContact CD1-CE1 4.1Å; Y8-F144 AromaticContact CD1-CE2 3.98Å; Y8-F144 HydrophobicContact CD1-CE2 3.98Å; Y8-F144 HydrophobicContact CD1-CZ 4.03Å; Y8-F144 AromaticContact CD2-CE2 3.59Å; Y8-F144 HydrophobicContact CD2-CE2 3.59Å; Y8-F144 HydrophobicContact CD2-CZ 4.03Å; Y8-F144 HydrophobicContact CE1-CE2 4.22Å; Y8-F144 AromaticContact CE2-CE2 3.84Å; Y8-F144 HydrophobicContact CE2-CE2 3.84Å; Y8-F144 AromaticContact CG-CE2 3.65Å; Y8-F144 HydrophobicContact CG-CE2 3.65Å; Y8-F144 AromaticContact CG-CZ 3.67Å; Y8-F144 HydrophobicContact CG-CZ 3.67Å; L66-F144 HydrophobicContact CD2-CD1 3.63Å; L66-F144 HydrophobicContact CD2-CD2 4.19Å; L66-F144 HydrophobicContact CD2-CE1 3.6Å; L66-F144 HydrophobicContact CD2-CE2 4.18Å; L66-F144 HydrophobicContact CD2-CG 3.92Å; L66-F144 HydrophobicContact CD2-CZ 3.88Å; L66-F144 HydrophobicContact CG-CD1 4.33Å; L66-F144 HydrophobicContact CG-CD2 4.02Å; L66-F144 HydrophobicContact CG-CE1 4.39Å; L66-F144 HydrophobicContact CG-CE2 4.1Å; L66-F144 HydrophobicContact CG-CG 4.13Å; L66-F144 HydrophobicContact CG-CZ 4.28Å; W140-F144 HydrophobicContact CB-CE2 4.41Å; W140-F144 WeakPolarHBondContact O-CD2 3.37Å; W140-F144 PolarHBondContact O-N 3.46Å; M142-F144 PolarHBondContact O-N 3.09Å; F144-L146 PolarHBondContact O-N 2.65Å; F144-A147 WeakPolarHBondContact O-CB 3.4Å; F144-A147 PolarHBondContact O-N 3.23Å; F144-A148 PolarHBondContact O-N 3.43Å
145G88.3Confident88.5Confident26 Ų2650.6 Ų50.627%0.26829%0.294SS..Hα-helixtrans-60.4-4217500000112.3A141 M142 A147 A148 V149A141-G145 WeakPolarHBondContact O-CA 3.16Å; A141-G145 PolarHBondContact O-N 3.38Å; M142-G145 PolarHBondContact O-N 2.96Å; G145-A147 VanDerWaalsContact C-N 3.31Å; G145-A147 PolarHBondContact O-N 3.2Å; G145-A148 WeakPolarHBondContact O-CA 3.35Å; G145-A148 VanDerWaalsContact O-CB 3.31Å; G145-A148 WeakPolarHBondContact O-CB 3.16Å; G145-A148 PolarHBondContact O-N 3.03Å; G145-V149 WeakPolarHBondContact O-CG2 3.35Å; G145-V149 PolarHBondContact O-N 3.38Å
146L90.8Very high88.8Confident70 Ų7053.1 Ų53.137%0.36631%0.311SS..Hα-helixtrans-61.2-41.4174.8-170.1151.4000111.3A130 A134 M142 F144 A148 V149 G150A130-L146 HydrophobicContact CB-CD1 4.41Å; A130-L146 HydrophobicContact CB-CD2 3.84Å; A134-L146 HydrophobicContact CB-CD1 3.86Å; M142-L146 WeakPolarHBondContact O-CB 3.37Å; M142-L146 PolarHBondContact O-N 3.18Å; F144-L146 PolarHBondContact O-N 2.65Å; L146-A148 VanDerWaalsContact C-N 3.31Å; L146-A148 PolarHBondContact O-N 3.3Å; L146-V149 PolarHBondContact O-N 3.11Å; L146-G150 PolarHBondContact O-N 2.82Å
147A90.9Very high89.1Confident20 Ų2054.9 Ų54.917%0.16532%0.322CS..Hα-helixtrans-64.8-34.9174.300000112.2M1 G143 F144 G145 M151M1-A147 HydrophobicContact CE-CB 4.3Å; G143-A147 PolarHBondContact O-N 3.46Å; F144-A147 WeakPolarHBondContact O-CB 3.4Å; F144-A147 PolarHBondContact O-N 3.23Å; G145-A147 VanDerWaalsContact C-N 3.31Å; G145-A147 PolarHBondContact O-N 3.2Å; A147-M151 PolarHBondContact O-N 2.79Å; A147-M151 VanDerWaalsContact O-N 3.16Å
148A91.1Very high89.2Confident3 Ų351.8 Ų51.83%0.02531%0.307CS..Hα-helixtrans-65-45.6171.900000112H63 V64 F144 G145 L146 G150 M151 I152H63-A148 HydrophobicContact CB-CB 3.61Å; V64-A148 HydrophobicContact CG2-CB 3.83Å; F144-A148 PolarHBondContact O-N 3.43Å; G145-A148 WeakPolarHBondContact O-CA 3.35Å; G145-A148 VanDerWaalsContact O-CB 3.31Å; G145-A148 WeakPolarHBondContact O-CB 3.16Å; G145-A148 PolarHBondContact O-N 3.03Å; L146-A148 VanDerWaalsContact C-N 3.31Å; L146-A148 PolarHBondContact O-N 3.3Å; A148-G150 VanDerWaalsContact C-N 3.3Å; A148-G150 PolarHBondContact O-N 3.04Å; A148-M151 PolarHBondContact O-N 3.08Å; A148-M151 VanDerWaalsContact O-N 3.15Å; A148-I152 VanDerWaalsContact O-CG1 3.32Å; A148-I152 WeakPolarHBondContact O-CG1 3.49Å; A148-I152 PolarHBondContact O-N 3.24Å
149V92.5Very high89.2Confident96 Ų9648.2 Ų48.258%0.58230%0.297SS*.Hα-helixtrans-58.3-43.6176.1172.20000110.7G145 L146 M151 I152 A153G145-V149 WeakPolarHBondContact O-CG2 3.35Å; G145-V149 PolarHBondContact O-N 3.38Å; L146-V149 PolarHBondContact O-N 3.11Å; V149-M151 VanDerWaalsContact C-N 3.35Å; V149-M151 PolarHBondContact O-N 2.75Å; V149-I152 PolarHBondContact O-N 3.32Å; V149-A153 WeakPolarHBondContact O-CB 3.45Å; V149-A153 PolarHBondContact O-N 2.89Å
150G91.9Very high89.2Confident47 Ų4750.8 Ų50.849%0.48532%0.315SS..Hα-helixtrans-59.2-42.5175.500000113.1L146 A148 G154L146-G150 PolarHBondContact O-N 2.82Å; A148-G150 VanDerWaalsContact C-N 3.3Å; A148-G150 PolarHBondContact O-N 3.04Å; G150-G154 PolarHBondContact O-N 2.75Å
151M91.4Very high89Confident39 Ų3950.2 Ų50.219%0.19232%0.317CS..Hα-helixtrans-67.7-41.7176.4-17258.560.500112.3A56 M59 A60 A147 A148 V149 G154 L155A56-M151 HydrophobicContact CB-SD 4.06Å; A56-M151 WeakPolarHBondContact O-CG 3.45Å; M59-M151 HydrophobicContact CB-CE 4.18Å; M59-M151 HydrophobicContact CB-CG 4.09Å; M59-M151 HydrophobicContact CB-SD 4.3Å; M59-M151 HydrophobicContact CE-CE 3.55Å; M59-M151 HydrophobicContact SD-CE 3.99Å; A60-M151 HydrophobicContact CB-CB 4.3Å; A60-M151 HydrophobicContact CB-CG 3.97Å; A147-M151 PolarHBondContact O-N 2.79Å; A147-M151 VanDerWaalsContact O-N 3.16Å; A148-M151 PolarHBondContact O-N 3.08Å; A148-M151 VanDerWaalsContact O-N 3.15Å; V149-M151 VanDerWaalsContact C-N 3.35Å; V149-M151 PolarHBondContact O-N 2.75Å; M151-G154 PolarHBondContact O-N 2.68Å; M151-L155 WeakPolarHBondContact O-CB 3.4Å; M151-L155 PolarHBondContact O-N 2.91Å
152I93.4Very high88.3Confident80 Ų8051.6 Ų51.641%0.4132%0.32SS..Hα-helixtrans-63.8-46.2177-67.6166.7000110.3A60 A148 V149 G154 L155 V156A60-I152 HydrophobicContact CB-CG1 3.84Å; A148-I152 VanDerWaalsContact O-CG1 3.32Å; A148-I152 WeakPolarHBondContact O-CG1 3.49Å; A148-I152 PolarHBondContact O-N 3.24Å; V149-I152 PolarHBondContact O-N 3.32Å; I152-G154 VanDerWaalsContact C-N 3.33Å; I152-G154 PolarHBondContact O-N 3.33Å; I152-L155 PolarHBondContact O-N 2.97Å; I152-L155 VanDerWaalsContact O-N 3.17Å; I152-V156 HydrophobicContact CG2-CG2 4.32Å; I152-V156 WeakPolarHBondContact O-CG2 3.41Å; I152-V156 PolarHBondContact O-N 3.44Å
153A92.8Very high87.3Confident46 Ų4657.1 Ų57.138%0.3834%0.335SS..Hα-helixtrans-59.2-45.2176.400000111.1V149 L155 V156 I157V149-A153 WeakPolarHBondContact O-CB 3.45Å; V149-A153 PolarHBondContact O-N 2.89Å; A153-L155 VanDerWaalsContact C-N 3.34Å; A153-L155 PolarHBondContact O-N 3.05Å; A153-V156 PolarHBondContact O-N 3.48Å; A153-I157 VanDerWaalsContact O-CG1 3.25Å; A153-I157 WeakPolarHBondContact O-CG1 3.28Å; A153-I157 PolarHBondContact O-N 3.32Å
154G90.9Very high86.4Confident40 Ų4064.1 Ų64.141%0.41237%0.368SS..Hα-helixtrans-59.3-42.2174.200000112.9G150 M151 I152 I157 F158G150-G154 PolarHBondContact O-N 2.75Å; M151-G154 PolarHBondContact O-N 2.68Å; I152-G154 VanDerWaalsContact C-N 3.33Å; I152-G154 PolarHBondContact O-N 3.33Å; G154-I157 PolarHBondContact O-N 3.43Å; G154-F158 WeakPolarHBondContact O-CB 3.43Å; G154-F158 PolarHBondContact O-N 3.49Å
155L89.2Confident85.2Confident29 Ų2965.8 Ų65.815%0.15238%0.375CS..Hα-helixtrans-65.1-43.3176-176.7152.3000111.7A56 L57 M151 I152 A153 F158 L159A56-L155 HydrophobicContact CB-CB 4.38Å; A56-L155 HydrophobicContact CB-CD1 3.87Å; A56-L155 HydrophobicContact CB-CG 4.45Å; L57-L155 HydrophobicContact CB-CD1 3.9Å; M151-L155 WeakPolarHBondContact O-CB 3.4Å; M151-L155 PolarHBondContact O-N 2.91Å; I152-L155 PolarHBondContact O-N 2.97Å; I152-L155 VanDerWaalsContact O-N 3.17Å; A153-L155 VanDerWaalsContact C-N 3.34Å; A153-L155 PolarHBondContact O-N 3.05Å; L155-F158 WeakPolarHBondContact O-CB 3.37Å; L155-F158 PolarHBondContact O-N 3.28Å; L155-L159 HydrophobicContact CD2-CD1 3.45Å; L155-L159 VanDerWaalsContact CD2-CD1 3.45Å; L155-L159 HydrophobicContact CD2-CG 3.97Å; L155-L159 WeakPolarHBondContact O-CG 3.41Å; L155-L159 PolarHBondContact O-N 3.18Å
156V91.9Very high83.8Confident71 Ų7168.8 Ų68.843%0.4339%0.389SS..Hα-helixtrans-62.5-44.7177170.60000110.6I152 A153 F158 L159 C160I152-V156 HydrophobicContact CG2-CG2 4.32Å; I152-V156 WeakPolarHBondContact O-CG2 3.41Å; I152-V156 PolarHBondContact O-N 3.44Å; A153-V156 PolarHBondContact O-N 3.48Å; V156-F158 VanDerWaalsContact C-N 3.29Å; V156-F158 PolarHBondContact O-N 3.31Å; V156-L159 PolarHBondContact O-N 2.89Å; V156-C160 WeakPolarHBondContact O-CB 3.43Å; V156-C160 PolarHBondContact O-N 3.13Å; V156-C160 PolarHBondContact O-SG 3.29Å; V156-C160 VanDerWaalsContact O-SG 3.33Å
157I89.4Confident82.2Confident125 Ų12574.1 Ų74.164%0.64141%0.411SS*.Hα-helixtrans-59.5-43.5175.6-67.6163.9000110.4A153 G154 C160 G161A153-I157 VanDerWaalsContact O-CG1 3.25Å; A153-I157 WeakPolarHBondContact O-CG1 3.28Å; A153-I157 PolarHBondContact O-N 3.32Å; G154-I157 PolarHBondContact O-N 3.43Å; I157-C160 PolarHBondContact O-N 3.45Å; I157-G161 PolarHBondContact O-N 2.87Å
158F86.4Confident80.6Confident38 Ų3873.6 Ų73.617%0.16741%0.406CS..Hα-helixtrans-62.7-42176.9-173.8-95000112.4R49 V52 M53 L97 G154 L155 V156 G161 N162 F165R49-F158 HydrophobicContact CG-CE1 4.3Å; R49-F158 HydrophobicContact CG-CZ 4.28Å; V52-F158 HydrophobicContact CB-CZ 4.42Å; V52-F158 HydrophobicContact CG1-CE1 4.27Å; V52-F158 HydrophobicContact CG1-CE2 4.15Å; V52-F158 HydrophobicContact CG1-CZ 3.97Å; M53-F158 HydrophobicContact CG-CD1 3.83Å; M53-F158 HydrophobicContact CG-CE1 3.54Å; M53-F158 HydrophobicContact SD-CE1 4.24Å; L97-F158 HydrophobicContact CD2-CE2 3.69Å; L97-F158 HydrophobicContact CD2-CZ 3.59Å; G154-F158 WeakPolarHBondContact O-CB 3.43Å; G154-F158 PolarHBondContact O-N 3.49Å; L155-F158 WeakPolarHBondContact O-CB 3.37Å; L155-F158 PolarHBondContact O-N 3.28Å; V156-F158 VanDerWaalsContact C-N 3.29Å; V156-F158 PolarHBondContact O-N 3.31Å; F158-G161 CarbonylContact O-C 3.54Å; F158-G161 PolarHBondContact O-N 2.91Å; F158-N162 PolarHBondContact O-N 3.35Å; F158-F165 HydrophobicContact CD2-CE2 4.23Å; F158-F165 HydrophobicContact CD2-CZ 4.16Å; F158-F165 HydrophobicContact CE2-CE1 4.28Å; F158-F165 HydrophobicContact CE2-CE2 4.08Å; F158-F165 AromaticContact CE2-CZ 3.91Å; F158-F165 HydrophobicContact CE2-CZ 3.91Å
159L85.1Confident78.9Confident78 Ų7882.5 Ų82.541%0.40844%0.439SS..Hα-helixtrans-68.4-41.2176.8-71.5-178.5000112.8M53 L155 V156 G161 N162M53-L159 HydrophobicContact CG-CD2 4.28Å; M53-L159 HydrophobicContact SD-CD2 3.51Å; M53-L159 VanDerWaalsContact SD-CD2 3.51Å; L155-L159 HydrophobicContact CD2-CD1 3.45Å; L155-L159 VanDerWaalsContact CD2-CD1 3.45Å; L155-L159 HydrophobicContact CD2-CG 3.97Å; L155-L159 WeakPolarHBondContact O-CG 3.41Å; L155-L159 PolarHBondContact O-N 3.18Å; V156-L159 PolarHBondContact O-N 2.89Å; L159-G161 PolarHBondContact O-N 3.27Å; L159-N162 WeakPolarHBondContact O-CB 3.43Å; L159-N162 PolarHBondContact O-N 2.79Å; L159-N162 VanDerWaalsContact O-N 3.13Å
160C86.7Confident77.1Confident98 Ų9879.9 Ų79.966%0.66243%0.431SS*.Hα-helixtrans-63.4-36.1173.1-71.10000111.1V156 I157 N162V156-C160 WeakPolarHBondContact O-CB 3.43Å; V156-C160 PolarHBondContact O-N 3.13Å; V156-C160 PolarHBondContact O-SG 3.29Å; V156-C160 VanDerWaalsContact O-SG 3.33Å; I157-C160 PolarHBondContact O-N 3.45Å; C160-N162 PolarHBondContact O-N 3.34Å
161G80Confident75.4Confident15 Ų1579.6 Ų79.616%0.15542%0.42CS..G310 helixtrans-72-5.6174.800000114.8I157 F158 L159 R163 H164 F165I157-G161 PolarHBondContact O-N 2.87Å; F158-G161 CarbonylContact O-C 3.54Å; F158-G161 PolarHBondContact O-N 2.91Å; L159-G161 PolarHBondContact O-N 3.27Å; G161-R163 PolarHBondContact O-N 3.3Å; G161-H164 WeakPolarHBondContact O-CB 2.95Å; G161-H164 PolarHBondContact O-N 3.31Å; G161-H164 PolarHBondContact O-ND1 3.35Å; G161-F165 WeakPolarHBondContact O-CD2 3.11Å; G161-F165 VanDerWaalsContact O-CE2 3.31Å; G161-F165 WeakPolarHBondContact O-CE2 3.35Å
162N71.1Confident73.7Confident59 Ų5981.6 Ų81.632%0.31643%0.431SS..G310 helixtrans-53-25.7-172.3-161.818.3000114F158 L159 C160 H164 F165F158-N162 PolarHBondContact O-N 3.35Å; L159-N162 WeakPolarHBondContact O-CB 3.43Å; L159-N162 PolarHBondContact O-N 2.79Å; L159-N162 VanDerWaalsContact O-N 3.13Å; C160-N162 PolarHBondContact O-N 3.34Å; N162-H164 VanDerWaalsContact C-N 3.28Å; N162-H164 PolarHBondContact O-N 3.19Å; N162-F165 PolarHBondContact O-N 3.43Å
163R64.4Low71.8Confident218 Ų21885.4 Ų85.482%0.82345%0.445SS*.G310 helixtrans-61.7-30174.3-64.9-174.7-179.6-178.80.8113.8G161 F165 T166G161-R163 PolarHBondContact O-N 3.3Å; R163-F165 VanDerWaalsContact C-N 3.34Å; R163-T166 WeakPolarHBondContact O-CG2 3.38Å
164H68.1Low69.9Low148 Ų14891.8 Ų91.869%0.68546%0.464SS*.G310 helixtrans-80.6-15.2-179.8-59.892.2000113G161 N162G161-H164 WeakPolarHBondContact O-CB 2.95Å; G161-H164 PolarHBondContact O-N 3.31Å; G161-H164 PolarHBondContact O-ND1 3.35Å; N162-H164 VanDerWaalsContact C-N 3.28Å; N162-H164 PolarHBondContact O-N 3.19Å
165F63.5Low68.2Low35 Ų3592.2 Ų92.215%0.15446%0.459CS..G310 helixtrans-10413.2-174.8-52-80.3000113.3L97 L101 F158 G161 N162 R163 H167 T168L97-F165 HydrophobicContact CD2-CD1 4.47Å; L101-F165 HydrophobicContact CD1-CD1 4.02Å; L101-F165 HydrophobicContact CD1-CE1 3.88Å; L101-F165 HydrophobicContact CD2-CD1 4.03Å; L101-F165 HydrophobicContact CG-CD1 4.49Å; F158-F165 HydrophobicContact CD2-CE2 4.23Å; F158-F165 HydrophobicContact CD2-CZ 4.16Å; F158-F165 HydrophobicContact CE2-CE1 4.28Å; F158-F165 HydrophobicContact CE2-CE2 4.08Å; F158-F165 AromaticContact CE2-CZ 3.91Å; F158-F165 HydrophobicContact CE2-CZ 3.91Å; G161-F165 WeakPolarHBondContact O-CD2 3.11Å; G161-F165 VanDerWaalsContact O-CE2 3.31Å; G161-F165 WeakPolarHBondContact O-CE2 3.35Å; N162-F165 PolarHBondContact O-N 3.43Å; R163-F165 VanDerWaalsContact C-N 3.34Å; F165-H167 PolarHBondContact O-N 2.94Å; F165-T168 HydrophobicContact CB-CG2 4.28Å; F165-T168 PolarHBondContact O-N 2.9Å; F165-T168 VanDerWaalsContact O-N 3.13Å; F165-T168 PolarHBondContact O-OG1 3.26Å
166T57.9Low66.4Low90 Ų9090.9 Ų90.955%0.55245%0.452SS*.THydrogen-bonded Turntrans-61.3-28.1-176.349.50000113.5R163 T168R163-T166 WeakPolarHBondContact O-CG2 3.38Å; T166-T168 VanDerWaalsContact C-N 3.34Å
167H57.4Low64.2Low182 Ų18297.2 Ų97.284%0.84347%0.468SS*.THydrogen-bonded Turntrans-80.1-9.8178.7-63.2-77.2000114.5F165F165-H167 PolarHBondContact O-N 2.94Å
168T57.7Low62.3Low9 Ų993.5 Ų93.56%0.05546%0.456CS..SBendtrans-77.9158.7-177.963.60000112.3L97 E100 L101 F165 T166 G170L97-T168 HydrophobicContact CD1-CG2 3.73Å; E100-T168 HydrophobicContact CB-CG2 4.46Å; L101-T168 HydrophobicContact CD2-CG2 3.89Å; L101-T168 HydrophobicContact CG-CG2 4.22Å; F165-T168 HydrophobicContact CB-CG2 4.28Å; F165-T168 PolarHBondContact O-N 2.9Å; F165-T168 VanDerWaalsContact O-N 3.13Å; F165-T168 PolarHBondContact O-OG1 3.26Å; T166-T168 VanDerWaalsContact C-N 3.34Å; T168-G170 PolarHBondContact O-N 3.32Å
169R54.7Low60.3Low190 Ų19096.3 Ų96.372%0.71748%0.476SS*.  trans-60.6108.4-178.8-80.9-178.9171171.5-0.6110.4E100E100-R169 PolarHBondContact OE2-N 3.48Å
170G55.7Low58.1Low41 Ų4198.1 Ų98.142%0.42349%0.486SS..  trans-70.2164.8172.600000112.3T168 N172T168-G170 PolarHBondContact O-N 3.32Å; G170-N172 PolarHBondContact O-N 2.92Å
171V56.7Low56Low40 Ų40102.3 Ų102.324%0.24249%0.494CS..  trans-54.8129.2178.7-163.90000110.9L46 M50 K173 L176L46-V171 WeakPolarHBondContact O-CG1 3.39Å; L46-V171 WeakPolarHBondContact O-CG2 3.35Å; M50-V171 HydrophobicContact CB-CG2 3.84Å; M50-V171 HydrophobicContact CG-CG2 4.31Å; V171-K173 VanDerWaalsContact C-N 3.33Å; V171-K173 PolarHBondContact O-N 2.91Å; V171-L176 HydrophobicContact CB-CD1 4.39Å; V171-L176 HydrophobicContact CG1-CD1 3.17Å; V171-L176 HydrophobicContact CG1-CG 4.32Å
172N55.8Low54.7Low81 Ų81109.8 Ų109.843%0.43353%0.529SS..  trans-75.884-178.3-160.6-12.2000110.7G170 K174 V175 L176G170-N172 PolarHBondContact O-N 2.92Å; N172-K174 PolarHBondContact O-N 3.38Å; N172-K174 VanDerWaalsContact O-N 3.08Å; N172-V175 HydrophobicContact CB-CB 4.49Å; N172-V175 HydrophobicContact CB-CG2 4.29Å; N172-V175 PolarHBondContact O-N 3.35Å; N172-V175 VanDerWaalsContact O-N 3.11Å; N172-L176 PolarHBondContact O-N 2.84Å
173K53.1Low53.7Low161 Ų161110.8 Ų110.870%0.753%0.534SS*.Hα-helixtrans-54.8-29-175.9-66.3-175.5-177.6179.60113.5V171 R177V171-K173 VanDerWaalsContact C-N 3.33Å; V171-K173 PolarHBondContact O-N 2.91Å; K173-R177 PolarHBondContact O-N 2.96Å
174K51.7Low53.3Low180 Ų180103.2 Ų103.278%0.78351%0.513SS*.Hα-helixtrans-66.9-46178.2-73.1-174.4177.7-178.90111.9N172 L176 A178N172-K174 PolarHBondContact O-N 3.38Å; N172-K174 VanDerWaalsContact O-N 3.08Å; K174-L176 VanDerWaalsContact C-N 3.35Å; K174-A178 PolarHBondContact O-N 2.97Å
175V55.8Low52.8Low48 Ų4897.6 Ų97.629%0.29149%0.488SS..Hα-helixtrans-66.1-42.7177.5178.10000109.9V45 N172 R177 A178 N185V45-V175 HydrophobicContact CG1-CG1 4.48Å; N172-V175 HydrophobicContact CB-CB 4.49Å; N172-V175 HydrophobicContact CB-CG2 4.29Å; N172-V175 PolarHBondContact O-N 3.35Å; N172-V175 VanDerWaalsContact O-N 3.11Å; V175-R177 VanDerWaalsContact C-N 3.34Å; V175-R177 PolarHBondContact O-N 2.81Å; V175-A178 WeakPolarHBondContact O-CB 3.49Å; V175-A178 PolarHBondContact O-N 3.23Å; V175-A178 VanDerWaalsContact O-N 3.08Å; V175-N185 WeakPolarHBondContact O-CB 3.36Å; V175-N185 PolarHBondContact O-ND2 3.37Å
176L52Low52.5Low1 Ų1102.3 Ų102.31%0.00551%0.505CS..Hα-helixtrans-59.2-38.2-180-92.3173.8000115.4V45 V171 N172 K174 N185 W186 L189V45-L176 HydrophobicContact CG1-CD2 3.94Å; V45-L176 HydrophobicContact CG1-CG 4.33Å; V171-L176 HydrophobicContact CB-CD1 4.39Å; V171-L176 HydrophobicContact CG1-CD1 3.17Å; V171-L176 HydrophobicContact CG1-CG 4.32Å; N172-L176 PolarHBondContact O-N 2.84Å; K174-L176 VanDerWaalsContact C-N 3.35Å; L176-N185 PolarHBondContact O-N 3.48Å; L176-W186 VanDerWaalsContact CB-NE1 3.29Å; L176-W186 HydrophobicContact CD1-CD2 4.45Å; L176-W186 VanDerWaalsContact CD1-CE2 3.49Å; L176-W186 HydrophobicContact CD1-CZ2 3.52Å; L176-W186 HydrophobicContact CD2-CB 4.44Å; L176-W186 HydrophobicContact CD2-CD2 3.72Å; L176-W186 HydrophobicContact CD2-CG 3.59Å; L176-W186 HydrophobicContact CD2-CZ2 4.31Å; L176-W186 HydrophobicContact CG-CZ2 4.42Å; L176-L189 HydrophobicContact CD2-CD1 3.47Å; L176-L189 VanDerWaalsContact CD2-CD1 3.47Å
177R44.9Very low52.3Low205 Ų20598.8 Ų98.877%0.77449%0.487SS*.Hα-helixtrans-82.7-16175.4-76.3-172.8-169.61742.3113.4K173 V175 T179K173-R177 PolarHBondContact O-N 2.96Å; V175-R177 VanDerWaalsContact C-N 3.34Å; V175-R177 PolarHBondContact O-N 2.81Å; R177-T179 PolarHBondContact O-N 2.92Å
178A49.6Very low52.4Low46 Ų4695.7 Ų95.738%0.3847%0.468SS..  trans-63.4121.6173.600000108.3K174 V175 N185K174-A178 PolarHBondContact O-N 2.97Å; V175-A178 WeakPolarHBondContact O-CB 3.49Å; V175-A178 PolarHBondContact O-N 3.23Å; V175-A178 VanDerWaalsContact O-N 3.08Å; A178-N185 PolarHBondContact O-N 3.08Å; A178-N185 PolarHBondContact O-ND2 3.32Å; A178-N185 VanDerWaalsContact O-ND2 3.14Å; A178-N185 PolarHBondContact O-OD1 3.46Å
179T44.8Very low52.6Low97 Ų9796.4 Ų96.460%0.59547%0.471SS*.EExtended strand (participates in β ladder)trans-83.5118.6172.841.90000107.2R177 P184R177-T179 PolarHBondContact O-N 2.92Å; T179-P184 HydrophobicContact CG2-CB 4.37Å; T179-P184 HydrophobicContact CG2-CG 4.21Å
180N39.7Very low52.9Low116 Ų11692.3 Ų92.362%0.6246%0.463SS*.EExtended strand (participates in β ladder)trans-115.9123.9165.6-111-0.2000108.9L182 W188N180-L182 PolarHBondContact O-N 2.89Å; N180-W188 PolarHBondContact O-NE1 3.09Å
181F42Very low53.1Low187 Ų18793.6 Ų93.682%0.8246%0.462SS*.THydrogen-bonded Turntrans62.318.7166.7-131.2-95.4000118.9
182L52.9Low53.6Low171 Ų17195.2 Ų95.290%0.89547%0.469SS*.THydrogen-bonded Turntrans136-23.6160.2-75.6156000113.2N180N180-L182 PolarHBondContact O-N 2.89Å
183L48.7Very low54.2Low80 Ų8094 Ų9442%0.41946%0.462SS..EExtended strand (participates in β ladder)trans-116.2146.7176.5-72.9167.8000111.1V191L183-V191 HydrophobicContact CD1-CG2 4.4Å
184P56.3Low54.7Low59 Ų5991.2 Ų91.238%0.38346%0.459SS..EExtended strand (participates in β ladder)trans-54.5147.4165-21.232.1000109.8T179 W186 G187 W188T179-P184 HydrophobicContact CG2-CB 4.37Å; T179-P184 HydrophobicContact CG2-CG 4.21Å; P184-W186 PolarHBondContact O-N 3.31Å; P184-G187 VanDerWaalsContact O-CA 3.32Å; P184-G187 WeakPolarHBondContact O-CA 3.38Å; P184-G187 PolarHBondContact O-N 2.67Å; P184-W188 PolarHBondContact O-N 3.31Å
185N58.9Low55.3Low30 Ų3084.3 Ų84.316%0.1644%0.435CS..Hα-helixtrans-57.5-24.1179.8-75.2-18.4000113.3V175 L176 A178 W188 L189V175-N185 WeakPolarHBondContact O-CB 3.36Å; V175-N185 PolarHBondContact O-ND2 3.37Å; L176-N185 PolarHBondContact O-N 3.48Å; A178-N185 PolarHBondContact O-N 3.08Å; A178-N185 PolarHBondContact O-ND2 3.32Å; A178-N185 VanDerWaalsContact O-ND2 3.14Å; A178-N185 PolarHBondContact O-OD1 3.46Å; N185-W188 PolarHBondContact O-N 2.75Å; N185-L189 WeakPolarHBondContact O-CG 3.36Å; N185-L189 PolarHBondContact O-N 3.46Å
186W56.7Low55.9Low134 Ų13484.2 Ų84.251%0.50844%0.435SS..Hα-helixtrans-60.5-42165.6-79.991.9000113.5L176 P184 L189 L190L176-W186 VanDerWaalsContact CB-NE1 3.29Å; L176-W186 HydrophobicContact CD1-CD2 4.45Å; L176-W186 VanDerWaalsContact CD1-CE2 3.49Å; L176-W186 HydrophobicContact CD1-CZ2 3.52Å; L176-W186 HydrophobicContact CD2-CB 4.44Å; L176-W186 HydrophobicContact CD2-CD2 3.72Å; L176-W186 HydrophobicContact CD2-CG 3.59Å; L176-W186 HydrophobicContact CD2-CZ2 4.31Å; L176-W186 HydrophobicContact CG-CZ2 4.42Å; P184-W186 PolarHBondContact O-N 3.31Å; W186-L189 WeakPolarHBondContact O-CB 3.28Å; W186-L189 PolarHBondContact O-N 3.31Å; W186-L190 WeakPolarHBondContact O-CG 3.29Å; W186-L190 PolarHBondContact O-N 2.83Å
187G54Low56.4Low17 Ų1784.7 Ų84.718%0.17544%0.438CS..Hα-helixtrans-63.3-43.4175.600000111.2P184 L189 L190 V191P184-G187 VanDerWaalsContact O-CA 3.32Å; P184-G187 WeakPolarHBondContact O-CA 3.38Å; P184-G187 PolarHBondContact O-N 2.67Å; G187-L189 VanDerWaalsContact C-N 3.32Å; G187-L189 PolarHBondContact O-N 3.13Å; G187-L190 PolarHBondContact O-N 3.38Å; G187-V191 WeakPolarHBondContact O-CB 3.44Å; G187-V191 VanDerWaalsContact O-CG2 3.29Å; G187-V191 WeakPolarHBondContact O-CG2 3.28Å; G187-V191 PolarHBondContact O-N 3.39Å
188W59.7Low57.4Low116 Ų11677 Ų7744%0.43942%0.419SS..Hα-helixtrans-62.9-36.3172.2-79.8100.4000113N180 P184 N185 V191 L192N180-W188 PolarHBondContact O-NE1 3.09Å; P184-W188 PolarHBondContact O-N 3.31Å; N185-W188 PolarHBondContact O-N 2.75Å; W188-V191 PolarHBondContact O-N 3.45Å; W188-L192 VanDerWaalsContact O-CB 3.3Å; W188-L192 WeakPolarHBondContact O-CB 3.32Å; W188-L192 PolarHBondContact O-N 3.23Å
189L60.4Low58.3Low25 Ų2580.1 Ų80.113%0.13143%0.428CS..Hα-helixtrans-65.7-40.3173.2-76.8173.7000112.3L41 V45 L46 L176 N185 W186 G187 L192 L193L41-L189 HydrophobicContact CD1-CD2 4.31Å; L41-L189 HydrophobicContact CD2-CD2 3.83Å; L41-L189 HydrophobicContact CG-CD2 4.28Å; V45-L189 HydrophobicContact CB-CD2 4.43Å; V45-L189 HydrophobicContact CG1-CD1 3.64Å; V45-L189 HydrophobicContact CG1-CD2 4.12Å; V45-L189 HydrophobicContact CG1-CG 4.05Å; L46-L189 HydrophobicContact CD2-CD1 3.57Å; L46-L189 HydrophobicContact CD2-CD2 4.11Å; L46-L189 HydrophobicContact CD2-CG 4.45Å; L46-L189 HydrophobicContact CG-CD1 4.38Å; L46-L189 HydrophobicContact CG-CD2 4.19Å; L176-L189 HydrophobicContact CD2-CD1 3.47Å; L176-L189 VanDerWaalsContact CD2-CD1 3.47Å; N185-L189 WeakPolarHBondContact O-CG 3.36Å; N185-L189 PolarHBondContact O-N 3.46Å; W186-L189 WeakPolarHBondContact O-CB 3.28Å; W186-L189 PolarHBondContact O-N 3.31Å; G187-L189 VanDerWaalsContact C-N 3.32Å; G187-L189 PolarHBondContact O-N 3.13Å; L189-L192 PolarHBondContact O-N 3.23Å; L189-L193 WeakPolarHBondContact O-CB 3.19Å; L189-L193 PolarHBondContact O-N 3.14Å
190L61.6Low59.4Low103 Ų10376.3 Ų76.354%0.53940%0.404SS..Hα-helixtrans-67.2-41.4174.8-74.2172.3000111.3W186 G187 L192 L193 V194W186-L190 WeakPolarHBondContact O-CG 3.29Å; W186-L190 PolarHBondContact O-N 2.83Å; G187-L190 PolarHBondContact O-N 3.38Å; L190-L192 VanDerWaalsContact C-N 3.35Å; L190-L193 HydrophobicContact CD2-CD2 4.26Å; L190-L193 WeakPolarHBondContact O-CB 3.12Å; L190-L193 PolarHBondContact O-N 2.99Å; L190-V194 WeakPolarHBondContact O-CG2 3.37Å; L190-V194 PolarHBondContact O-N 2.81Å
191V60.2Low60.6Low69 Ų6972 Ų7242%0.41838%0.382SS..Hα-helixtrans-61.7-44.8172.5172.40000109.7L183 G187 W188 L193 V194 A195L183-V191 HydrophobicContact CD1-CG2 4.4Å; G187-V191 WeakPolarHBondContact O-CB 3.44Å; G187-V191 VanDerWaalsContact O-CG2 3.29Å; G187-V191 WeakPolarHBondContact O-CG2 3.28Å; G187-V191 PolarHBondContact O-N 3.39Å; W188-V191 PolarHBondContact O-N 3.45Å; V191-L193 VanDerWaalsContact C-N 3.34Å; V191-L193 PolarHBondContact O-N 3.35Å; V191-V194 PolarHBondContact O-N 3.22Å; V191-A195 HydrophobicContact CG1-CB 4.33Å; V191-A195 WeakPolarHBondContact O-CA 3.33Å; V191-A195 WeakPolarHBondContact O-CB 3.27Å; V191-A195 PolarHBondContact O-N 3.27Å
192L67.7Low61.7Low73 Ų7366.6 Ų66.638%0.38236%0.364SS..Hα-helixtrans-60.6-44.2173.7-108148000111.2L41 W188 L189 L190 V194 T196L41-L192 HydrophobicContact CD1-CD1 4.13Å; L41-L192 HydrophobicContact CD1-CD2 4.36Å; W188-L192 VanDerWaalsContact O-CB 3.3Å; W188-L192 WeakPolarHBondContact O-CB 3.32Å; W188-L192 PolarHBondContact O-N 3.23Å; L189-L192 PolarHBondContact O-N 3.23Å; L190-L192 VanDerWaalsContact C-N 3.35Å; L192-V194 VanDerWaalsContact C-N 3.27Å; L192-V194 PolarHBondContact O-N 3.4Å; L192-T196 HydrophobicContact CD2-CG2 3.68Å; L192-T196 WeakPolarHBondContact O-CB 3.35Å; L192-T196 PolarHBondContact O-N 3.49Å; L192-T196 PolarHBondContact O-OG1 3.5Å
193L66.6Low62.6Low56 Ų5660.3 Ų60.329%0.29333%0.331SS..Hα-helixtrans-61.1-33.5-179.9-171.675.2000112.6L58 L189 L190 V191 P197L58-L193 HydrophobicContact CD1-CD1 3.74Å; L58-L193 HydrophobicContact CD2-CD1 4.05Å; L58-L193 HydrophobicContact CG-CD1 4.26Å; L189-L193 WeakPolarHBondContact O-CB 3.19Å; L189-L193 PolarHBondContact O-N 3.14Å; L190-L193 HydrophobicContact CD2-CD2 4.26Å; L190-L193 WeakPolarHBondContact O-CB 3.12Å; L190-L193 PolarHBondContact O-N 2.99Å; V191-L193 VanDerWaalsContact C-N 3.34Å; V191-L193 PolarHBondContact O-N 3.35Å; L193-P197 WeakPolarHBondContact O-CD 3.44Å; L193-P197 WeakPolarHBondContact O-CG 3.34Å
194V64.6Low63.5Low102 Ų10256.9 Ų56.962%0.61831%0.313SS*.Hα-helixtrans-92.6-42.2178.7176.60000111.6L190 V191 L192 P197 A198L190-V194 WeakPolarHBondContact O-CG2 3.37Å; L190-V194 PolarHBondContact O-N 2.81Å; V191-V194 PolarHBondContact O-N 3.22Å; L192-V194 VanDerWaalsContact C-N 3.27Å; L192-V194 PolarHBondContact O-N 3.4Å; V194-P197 WeakPolarHBondContact O-CD 3.35Å; V194-A198 WeakPolarHBondContact O-CB 3.4Å; V194-A198 PolarHBondContact O-N 2.84Å; V194-A198 VanDerWaalsContact O-N 3.09Å
195A64.4Low63.8Low35 Ų3562.1 Ų62.129%0.28933%0.325SS..Hα-helixtrans-73.9-33.5-176.800000112.4V191 A198 L199V191-A195 HydrophobicContact CG1-CB 4.33Å; V191-A195 WeakPolarHBondContact O-CA 3.33Å; V191-A195 WeakPolarHBondContact O-CB 3.27Å; V191-A195 PolarHBondContact O-N 3.27Å; A195-A198 PolarHBondContact O-N 2.92Å; A195-L199 VanDerWaalsContact O-CB 3.24Å; A195-L199 WeakPolarHBondContact O-CB 3.45Å; A195-L199 WeakPolarHBondContact O-CG 3.38Å; A195-L199 PolarHBondContact O-N 2.81Å
196T67.7Low64.3Low47 Ų4766.6 Ų66.629%0.28834%0.343SS..Hα-helixtrans-67.5-46.3176.440.80000112.5L192 A198 L199 I200L192-T196 HydrophobicContact CD2-CG2 3.68Å; L192-T196 WeakPolarHBondContact O-CB 3.35Å; L192-T196 PolarHBondContact O-N 3.49Å; L192-T196 PolarHBondContact O-OG1 3.5Å; T196-A198 VanDerWaalsContact C-N 3.33Å; T196-A198 PolarHBondContact O-N 3.4Å; T196-L199 PolarHBondContact O-N 3.5Å; T196-I200 WeakPolarHBondContact O-CB 3.37Å; T196-I200 WeakPolarHBondContact O-CG1 3.37Å; T196-I200 PolarHBondContact O-N 2.9Å
197P63.8Low65Low10 Ų1065.3 Ų65.37%0.06534%0.343CS..Hα-helixtrans-57.7-45.8169.2-25.334.7000111.7A81 I82 C85 L193 V194 L199 I200 T201A81-P197 HydrophobicContact CB-CB 4.42Å; A81-P197 WeakPolarHBondContact CB-O 3.44Å; I82-P197 HydrophobicContact CG1-CB 4.16Å; C85-P197 HydrophobicContact CB-CG 4.43Å; L193-P197 WeakPolarHBondContact O-CD 3.44Å; L193-P197 WeakPolarHBondContact O-CG 3.34Å; V194-P197 WeakPolarHBondContact O-CD 3.35Å; P197-L199 PolarHBondContact O-N 3.35Å; P197-I200 CarbonylContact O-C 3.58Å; P197-I200 PolarHBondContact O-N 3.01Å; P197-T201 VanDerWaalsContact O-CG2 3.29Å; P197-T201 WeakPolarHBondContact O-CG2 3.46Å; P197-T201 PolarHBondContact O-N 2.93Å; P197-T201 PolarHBondContact O-OG1 2.92Å
198A64.6Low65.9Low45 Ų4570.9 Ų70.937%0.37236%0.359SS..Hα-helixtrans-64.4-36.2-179.900000113.8V194 A195 T196 T201 V202V194-A198 WeakPolarHBondContact O-CB 3.4Å; V194-A198 PolarHBondContact O-N 2.84Å; V194-A198 VanDerWaalsContact O-N 3.09Å; A195-A198 PolarHBondContact O-N 2.92Å; T196-A198 VanDerWaalsContact C-N 3.33Å; T196-A198 PolarHBondContact O-N 3.4Å; A198-T201 WeakPolarHBondContact CA-OG1 3.26Å; A198-T201 PolarHBondContact O-OG1 3.46Å; A198-V202 VanDerWaalsContact O-CG2 3.24Å; A198-V202 WeakPolarHBondContact O-CG2 3.32Å; A198-V202 PolarHBondContact O-N 3.43Å; A198-V202 VanDerWaalsContact O-N 3.08Å
199L69.4Low66.5Low111 Ų11165.9 Ų65.958%0.58134%0.341SS*.Hα-helixtrans-70.7-41.6174.7-74.7172.3000110.4A195 T196 P197 T201 V202 L203A195-L199 VanDerWaalsContact O-CB 3.24Å; A195-L199 WeakPolarHBondContact O-CB 3.45Å; A195-L199 WeakPolarHBondContact O-CG 3.38Å; A195-L199 PolarHBondContact O-N 2.81Å; T196-L199 PolarHBondContact O-N 3.5Å; P197-L199 PolarHBondContact O-N 3.35Å; L199-T201 VanDerWaalsContact C-N 3.34Å; L199-V202 PolarHBondContact O-N 2.88Å; L199-L203 WeakPolarHBondContact O-CB 3.37Å; L199-L203 VanDerWaalsContact O-CG 3.26Å; L199-L203 WeakPolarHBondContact O-CG 3.28Å; L199-L203 PolarHBondContact O-N 3.48Å
200I67.8Low67Low16 Ų1666.7 Ų66.78%0.08235%0.347CS..Hα-helixtrans-67.2-37177-66.5171000110.8L30 A81 V84 C85 T196 P197 V202 L203 F204L30-I200 HydrophobicContact CD1-CG2 4.16Å; A81-I200 HydrophobicContact CB-CB 3.82Å; A81-I200 HydrophobicContact CB-CG2 3.6Å; V84-I200 HydrophobicContact CG1-CD1 4.01Å; C85-I200 VanDerWaalsContact SG-CD1 3.52Å; T196-I200 WeakPolarHBondContact O-CB 3.37Å; T196-I200 WeakPolarHBondContact O-CG1 3.37Å; T196-I200 PolarHBondContact O-N 2.9Å; P197-I200 CarbonylContact O-C 3.58Å; P197-I200 PolarHBondContact O-N 3.01Å; I200-V202 VanDerWaalsContact C-N 3.34Å; I200-V202 PolarHBondContact O-N 3.41Å; I200-L203 WeakPolarHBondContact O-CB 3.48Å; I200-L203 PolarHBondContact O-N 3.48Å; I200-F204 HydrophobicContact CG2-CD2 3.61Å; I200-F204 HydrophobicContact CG2-CE2 3.28Å; I200-F204 HydrophobicContact CG2-CZ 4.23Å; I200-F204 WeakPolarHBondContact O-CD2 3.27Å; I200-F204 PolarHBondContact O-N 3.43Å
201T64.4Low67.7Low26 Ų2669 Ų6916%0.1635%0.35CS..Hα-helixtrans-62-44.6172.756.30000110.9L78 A81 P197 A198 L199 L203 F204 W205L78-T201 VanDerWaalsContact CA-CG2 3.44Å; L78-T201 HydrophobicContact CB-CG2 4.16Å; L78-T201 HydrophobicContact CD1-CG2 3.77Å; A81-T201 HydrophobicContact CB-CG2 3.54Å; P197-T201 VanDerWaalsContact O-CG2 3.29Å; P197-T201 WeakPolarHBondContact O-CG2 3.46Å; P197-T201 PolarHBondContact O-N 2.93Å; P197-T201 PolarHBondContact O-OG1 2.92Å; A198-T201 WeakPolarHBondContact CA-OG1 3.26Å; A198-T201 PolarHBondContact O-OG1 3.46Å; L199-T201 VanDerWaalsContact C-N 3.34Å; T201-L203 VanDerWaalsContact C-N 3.33Å; T201-L203 PolarHBondContact O-N 2.96Å; T201-F204 PolarHBondContact O-N 2.83Å; T201-W205 WeakPolarHBondContact O-CB 3.38Å; T201-W205 PolarHBondContact O-N 3.14Å
202V65.6Low68.3Low73 Ų7367.4 Ų67.444%0.44234%0.344SS..Hα-helixtrans-62.6-40.11751720000111.4A198 L199 I200 F204 W205 K206A198-V202 VanDerWaalsContact O-CG2 3.24Å; A198-V202 WeakPolarHBondContact O-CG2 3.32Å; A198-V202 PolarHBondContact O-N 3.43Å; A198-V202 VanDerWaalsContact O-N 3.08Å; L199-V202 PolarHBondContact O-N 2.88Å; I200-V202 VanDerWaalsContact C-N 3.34Å; I200-V202 PolarHBondContact O-N 3.41Å; V202-F204 VanDerWaalsContact C-N 3.33Å; V202-F204 PolarHBondContact O-N 3.28Å; V202-W205 PolarHBondContact O-N 2.91Å; V202-K206 HydrophobicContact CG1-CG 4.36Å; V202-K206 WeakPolarHBondContact O-CB 3.15Å; V202-K206 PolarHBondContact O-N 3.32Å
203L70.6Confident68.7Low40 Ų4064.3 Ų64.321%0.20933%0.328CS..Hα-helixtrans-60.8-41.6175.9-74.5172.4000111.7L199 I200 T201 E207 W208L199-L203 WeakPolarHBondContact O-CB 3.37Å; L199-L203 VanDerWaalsContact O-CG 3.26Å; L199-L203 WeakPolarHBondContact O-CG 3.28Å; L199-L203 PolarHBondContact O-N 3.48Å; I200-L203 WeakPolarHBondContact O-CB 3.48Å; I200-L203 PolarHBondContact O-N 3.48Å; T201-L203 VanDerWaalsContact C-N 3.33Å; T201-L203 PolarHBondContact O-N 2.96Å; L203-E207 CarbonylContact O-C 3.59Å; L203-E207 PolarHBondContact O-N 3.34Å; L203-W208 HydrophobicContact CD2-CB 3.65Å; L203-W208 PolarHBondContact O-N 3.38Å
204F68.7Low69.4Low8 Ų865.7 Ų65.74%0.03533%0.334CS..Hα-helixtrans-69.5-42.5174.4-74.2-60.2000112L23 A26 L30 Y77 L80 I200 T201 V202 K206 E207L23-F204 HydrophobicContact CD1-CB 4.37Å; L23-F204 HydrophobicContact CD1-CD1 3.47Å; L23-F204 VanDerWaalsContact CD1-CD1 3.47Å; L23-F204 HydrophobicContact CD1-CE1 3.96Å; L23-F204 HydrophobicContact CD1-CG 4.14Å; A26-F204 HydrophobicContact CB-CD1 4.28Å; A26-F204 HydrophobicContact CB-CE1 3.83Å; L30-F204 HydrophobicContact CD1-CE1 4Å; L30-F204 HydrophobicContact CD1-CE2 4.13Å; L30-F204 HydrophobicContact CD1-CZ 3.61Å; Y77-F204 HydrophobicContact CD1-CB 3.66Å; Y77-F204 HydrophobicContact CD1-CG 4.44Å; Y77-F204 HydrophobicContact CE1-CB 4.34Å; Y77-F204 HydrophobicContact CG-CB 4.44Å; L80-F204 HydrophobicContact CB-CE2 4.06Å; L80-F204 HydrophobicContact CB-CZ 4.43Å; I200-F204 HydrophobicContact CG2-CD2 3.61Å; I200-F204 HydrophobicContact CG2-CE2 3.28Å; I200-F204 HydrophobicContact CG2-CZ 4.23Å; I200-F204 WeakPolarHBondContact O-CD2 3.27Å; I200-F204 PolarHBondContact O-N 3.43Å; T201-F204 PolarHBondContact O-N 2.83Å; V202-F204 VanDerWaalsContact C-N 3.33Å; V202-F204 PolarHBondContact O-N 3.28Å; F204-K206 VanDerWaalsContact C-N 3.3Å; F204-K206 PolarHBondContact O-N 3.01Å; F204-E207 PolarHBondContact O-N 3Å
205W61.9Low70.2Confident168 Ų16864.9 Ų64.964%0.63633%0.329SS*.Hα-helixtrans-66.3-30.9-178.3-122.467.3000113.7Y77 T201 V202Y77-W205 AromaticContact CD2-CD1 3.49Å; Y77-W205 VanDerWaalsContact CD2-CD1 3.49Å; Y77-W205 AromaticContact CD2-NE1 3.6Å; Y77-W205 AromaticContact CE2-CD1 3.96Å; Y77-W205 AromaticContact CE2-NE1 3.94Å; Y77-W205 AromaticContact CG-CD1 3.87Å; T201-W205 WeakPolarHBondContact O-CB 3.38Å; T201-W205 PolarHBondContact O-N 3.14Å; V202-W205 PolarHBondContact O-N 2.91Å
206K70.4Confident70.9Confident124 Ų12464 Ų6454%0.53932%0.322SS..THydrogen-bonded Turntrans-1004179-69.2-65.8-173-175.90113.4V202 F204 W208V202-K206 HydrophobicContact CG1-CG 4.36Å; V202-K206 WeakPolarHBondContact O-CB 3.15Å; V202-K206 PolarHBondContact O-N 3.32Å; F204-K206 VanDerWaalsContact C-N 3.3Å; F204-K206 PolarHBondContact O-N 3.01Å; K206-W208 HydrophobicContact CB-CD2 3.93Å; K206-W208 HydrophobicContact CB-CG 3.89Å; K206-W208 PolarHBondContact O-N 2.89Å; K206-W208 VanDerWaalsContact O-N 3.13Å
207E70Confident71.4Confident108 Ų10863 Ų6351%0.50532%0.316SS..THydrogen-bonded Turntrans55.826.3-175.6-64.8165.7-166.100113.3H19 L203 F204 S209H19-E207 IonicContact CE1-OE1 3.35Å; L203-E207 CarbonylContact O-C 3.59Å; L203-E207 PolarHBondContact O-N 3.34Å; F204-E207 PolarHBondContact O-N 3Å; E207-S209 PolarHBondContact O-N 3.02Å
208W74Confident72.5Confident134 Ų13467.7 Ų67.751%0.50834%0.34SS..THydrogen-bonded Turntrans-82.52.6-178.5-72.31.3000113.9L203 K206 V210 Y211 A212L203-W208 HydrophobicContact CD2-CB 3.65Å; L203-W208 PolarHBondContact O-N 3.38Å; K206-W208 HydrophobicContact CB-CD2 3.93Å; K206-W208 HydrophobicContact CB-CG 3.89Å; K206-W208 PolarHBondContact O-N 2.89Å; K206-W208 VanDerWaalsContact O-N 3.13Å; W208-V210 PolarHBondContact O-N 3.39Å; W208-Y211 HydrophobicContact CB-CD2 4.02Å; W208-Y211 AromaticContact CD1-CD2 3.86Å; W208-Y211 AromaticContact CD1-CE2 3.81Å; W208-Y211 HydrophobicContact CG-CD2 4.01Å; W208-Y211 HydrophobicContact CG-CE2 4.4Å; W208-Y211 PolarHBondContact O-N 3.44Å; W208-Y211 VanDerWaalsContact O-N 3.07Å; W208-A212 PolarHBondContact O-N 3.14Å
209S71.4Confident73.5Confident10 Ų1070.6 Ų70.67%0.0735%0.348CS..Hα-helixtrans-53-38.317758.60000111.9A26 E207 Y211 A212 L213A26-S209 WeakPolarHBondContact CB-OG 3.36Å; E207-S209 PolarHBondContact O-N 3.02Å; S209-Y211 PolarHBondContact O-N 3.41Å; S209-A212 PolarHBondContact O-N 2.94Å; S209-L213 WeakPolarHBondContact O-CG 3.32Å; S209-L213 PolarHBondContact O-N 3.22Å
210V72.5Confident74.1Confident42 Ų4265.6 Ų65.626%0.25532%0.323SS..Hα-helixtrans-61.7-44.8177.7-1730000111.5W208 A212 L213 I214 Y401W208-V210 PolarHBondContact O-N 3.39Å; V210-A212 VanDerWaalsContact C-N 3.34Å; V210-A212 PolarHBondContact O-N 3.11Å; V210-L213 PolarHBondContact O-N 2.89Å; V210-I214 HydrophobicContact CG1-CD1 3.99Å; V210-I214 HydrophobicContact CG1-CG1 4.46Å; V210-I214 VanDerWaalsContact O-CG1 3.32Å; V210-I214 WeakPolarHBondContact O-CG1 3.18Å; V210-I214 PolarHBondContact O-N 2.93Å; V210-Y401 HydrophobicContact CB-CE2 4.31Å; V210-Y401 HydrophobicContact CG1-CE2 3.94Å; V210-Y401 HydrophobicContact CG2-CD2 4.37Å; V210-Y401 HydrophobicContact CG2-CE2 3.56Å
211Y75Confident75Confident152 Ų15269 Ų6960%0.59634%0.341SS*.Hα-helixtrans-63.8-40.5177.9-59-68.8000111.8W208 S209 L213 I214 V215W208-Y211 HydrophobicContact CB-CD2 4.02Å; W208-Y211 AromaticContact CD1-CD2 3.86Å; W208-Y211 AromaticContact CD1-CE2 3.81Å; W208-Y211 HydrophobicContact CG-CD2 4.01Å; W208-Y211 HydrophobicContact CG-CE2 4.4Å; W208-Y211 PolarHBondContact O-N 3.44Å; W208-Y211 VanDerWaalsContact O-N 3.07Å; S209-Y211 PolarHBondContact O-N 3.41Å; Y211-L213 VanDerWaalsContact C-N 3.3Å; Y211-L213 PolarHBondContact O-N 3.44Å; Y211-I214 PolarHBondContact O-N 3.12Å; Y211-V215 WeakPolarHBondContact O-CG2 3.31Å; Y211-V215 PolarHBondContact O-N 3.44Å
212A73.7Confident76.1Confident35 Ų3569.9 Ų69.929%0.28936%0.355SS..Hα-helixtrans-61.3-40.1175.600000111.6W208 S209 V210 V215 A216W208-A212 PolarHBondContact O-N 3.14Å; S209-A212 PolarHBondContact O-N 2.94Å; V210-A212 VanDerWaalsContact C-N 3.34Å; V210-A212 PolarHBondContact O-N 3.11Å; A212-V215 PolarHBondContact O-N 2.95Å; A212-A216 WeakPolarHBondContact O-CB 3.14Å; A212-A216 PolarHBondContact O-N 3.24Å
213L76.4Confident77Confident9 Ų969 Ų695%0.04735%0.35CS..Hα-helixtrans-67.9-40.8175.4-67.5172.5000112.5V33 S209 V210 Y211 V215 A216 T217 A397 Y401V33-L213 HydrophobicContact CG2-CD2 3.88Å; S209-L213 WeakPolarHBondContact O-CG 3.32Å; S209-L213 PolarHBondContact O-N 3.22Å; V210-L213 PolarHBondContact O-N 2.89Å; Y211-L213 VanDerWaalsContact C-N 3.3Å; Y211-L213 PolarHBondContact O-N 3.44Å; L213-V215 VanDerWaalsContact C-N 3.35Å; L213-V215 PolarHBondContact O-N 3.01Å; L213-A216 PolarHBondContact O-N 2.92Å; L213-T217 WeakPolarHBondContact O-CB 3.38Å; L213-T217 PolarHBondContact O-N 3.38Å; L213-T217 PolarHBondContact O-OG1 2.91Å; L213-A397 HydrophobicContact CD2-CB 4.05Å; L213-Y401 HydrophobicContact CD1-CD2 4.24Å; L213-Y401 HydrophobicContact CD1-CG 4.3Å
214I80.8Confident77.7Confident85 Ų8568.5 Ų68.544%0.43635%0.347SS..Hα-helixtrans-59.6-47.9175-69.9166.2000109.8V210 Y211 A216 T217 I218V210-I214 HydrophobicContact CG1-CD1 3.99Å; V210-I214 HydrophobicContact CG1-CG1 4.46Å; V210-I214 VanDerWaalsContact O-CG1 3.32Å; V210-I214 WeakPolarHBondContact O-CG1 3.18Å; V210-I214 PolarHBondContact O-N 2.93Å; Y211-I214 PolarHBondContact O-N 3.12Å; I214-A216 PolarHBondContact O-N 3.38Å; I214-T217 WeakPolarHBondContact O-CB 3.48Å; I214-T217 PolarHBondContact O-N 2.72Å; I214-I218 HydrophobicContact CG2-CD1 3.7Å; I214-I218 HydrophobicContact CG2-CG1 4.36Å; I214-I218 VanDerWaalsContact O-CG1 3.29Å; I214-I218 WeakPolarHBondContact O-CG1 3.24Å; I214-I218 PolarHBondContact O-N 3.39Å
215V80.4Confident78.6Confident84 Ų8470.6 Ų70.651%0.50937%0.366SS..Hα-helixtrans-60.4-47177.7172.30000110.9Y211 A212 L213 T217 I218 I219Y211-V215 WeakPolarHBondContact O-CG2 3.31Å; Y211-V215 PolarHBondContact O-N 3.44Å; A212-V215 PolarHBondContact O-N 2.95Å; L213-V215 VanDerWaalsContact C-N 3.35Å; L213-V215 PolarHBondContact O-N 3.01Å; V215-T217 VanDerWaalsContact C-N 3.28Å; V215-T217 PolarHBondContact O-N 3.01Å; V215-I218 PolarHBondContact O-N 3.4Å; V215-I219 HydrophobicContact CG1-CD1 3.86Å; V215-I219 VanDerWaalsContact O-CG1 3.28Å; V215-I219 WeakPolarHBondContact O-CG1 3.48Å; V215-I219 PolarHBondContact O-N 3.06Å
216A78.8Confident79.7Confident17 Ų1770.3 Ų70.314%0.1437%0.369CS..Hα-helixtrans-60.3-39.3177.600000112.1A212 L213 I214 I219 G220 L393A212-A216 WeakPolarHBondContact O-CB 3.14Å; A212-A216 PolarHBondContact O-N 3.24Å; L213-A216 PolarHBondContact O-N 2.92Å; I214-A216 PolarHBondContact O-N 3.38Å; A216-I219 PolarHBondContact O-N 3.42Å; A216-G220 PolarHBondContact O-N 2.65Å; A216-L393 HydrophobicContact CB-CD1 4.1Å
217T80.2Confident80.3Confident27 Ų2765 Ų6517%0.16635%0.346CS..Hα-helixtrans-67.1-44.8177.3-54.10000111.7L213 I214 V215 I219 G220 L221 L394 I398L213-T217 WeakPolarHBondContact O-CB 3.38Å; L213-T217 PolarHBondContact O-N 3.38Å; L213-T217 PolarHBondContact O-OG1 2.91Å; I214-T217 WeakPolarHBondContact O-CB 3.48Å; I214-T217 PolarHBondContact O-N 2.72Å; V215-T217 VanDerWaalsContact C-N 3.28Å; V215-T217 PolarHBondContact O-N 3.01Å; T217-I219 VanDerWaalsContact C-N 3.3Å; T217-I219 PolarHBondContact O-N 3.26Å; T217-G220 PolarHBondContact O-N 2.91Å; T217-G220 VanDerWaalsContact O-N 3.16Å; T217-L221 HydrophobicContact CG2-CD1 4.12Å; T217-L221 HydrophobicContact CG2-CG 4.37Å; T217-L221 WeakPolarHBondContact O-CB 3.28Å; T217-L221 WeakPolarHBondContact O-CG 3.44Å; T217-L221 PolarHBondContact O-N 3.24Å; T217-L394 HydrophobicContact CG2-CD2 4.38Å; T217-I398 HydrophobicContact CG2-CD1 3.39Å; T217-I398 WeakPolarHBondContact OG1-CD1 3.21Å
218I86.8Confident80.9Confident108 Ų10865.7 Ų65.755%0.55435%0.345SS*.Hα-helixtrans-60.5-43.2176.6-70.2168.5000110.2I214 V215 L221 G222I214-I218 HydrophobicContact CG2-CD1 3.7Å; I214-I218 HydrophobicContact CG2-CG1 4.36Å; I214-I218 VanDerWaalsContact O-CG1 3.29Å; I214-I218 WeakPolarHBondContact O-CG1 3.24Å; I214-I218 PolarHBondContact O-N 3.39Å; V215-I218 PolarHBondContact O-N 3.4Å; I218-L221 PolarHBondContact O-N 2.89Å; I218-G222 PolarHBondContact O-N 2.59Å
219I84.8Confident81.3Confident105 Ų10569.8 Ų69.854%0.53836%0.36SS..Hα-helixtrans-61.5-47.4174.7-66.5166.4000110.2V215 A216 T217 L221 G222 V223V215-I219 HydrophobicContact CG1-CD1 3.86Å; V215-I219 VanDerWaalsContact O-CG1 3.28Å; V215-I219 WeakPolarHBondContact O-CG1 3.48Å; V215-I219 PolarHBondContact O-N 3.06Å; A216-I219 PolarHBondContact O-N 3.42Å; T217-I219 VanDerWaalsContact C-N 3.3Å; T217-I219 PolarHBondContact O-N 3.26Å; I219-L221 PolarHBondContact O-N 2.93Å; I219-G222 PolarHBondContact O-N 2.74Å; I219-V223 HydrophobicContact CG2-CG2 4.44Å; I219-V223 VanDerWaalsContact O-CG2 3.3Å; I219-V223 WeakPolarHBondContact O-CG2 3.5Å; I219-V223 PolarHBondContact O-N 2.84Å
220G81.5Confident81.7Confident6 Ų675.8 Ų75.86%0.06239%0.385CS..Hα-helixtrans-57.9-46178.100000113A216 T217 V223 L224A216-G220 PolarHBondContact O-N 2.65Å; T217-G220 PolarHBondContact O-N 2.91Å; T217-G220 VanDerWaalsContact O-N 3.16Å; G220-V223 PolarHBondContact O-N 3.22Å; G220-L224 WeakPolarHBondContact O-CB 3.42Å; G220-L224 PolarHBondContact O-N 3.12Å
221L86.8Confident81.9Confident89 Ų8973.8 Ų73.847%0.46637%0.373SS..Hα-helixtrans-67.3-38.5176.4-69.5176.3000112.3T217 I218 I219 L224 A225T217-L221 HydrophobicContact CG2-CD1 4.12Å; T217-L221 HydrophobicContact CG2-CG 4.37Å; T217-L221 WeakPolarHBondContact O-CB 3.28Å; T217-L221 WeakPolarHBondContact O-CG 3.44Å; T217-L221 PolarHBondContact O-N 3.24Å; I218-L221 PolarHBondContact O-N 2.89Å; I219-L221 PolarHBondContact O-N 2.93Å; L221-L224 HydrophobicContact CD2-CD2 4.45Å; L221-L224 PolarHBondContact O-N 2.8Å; L221-A225 WeakPolarHBondContact O-CB 3.23Å; L221-A225 PolarHBondContact O-N 3.19Å
222G88.3Confident82Confident44 Ų4474.4 Ų74.445%0.45438%0.382SS..Hα-helixtrans-62.9-41.2174.900000112.4I218 I219 A225 K226I218-G222 PolarHBondContact O-N 2.59Å; I219-G222 PolarHBondContact O-N 2.74Å; G222-A225 PolarHBondContact O-N 3.21Å; G222-K226 PolarHBondContact O-N 3.11Å
223V84.7Confident82.5Confident55 Ų5577.3 Ų77.333%0.33339%0.392SS..Hα-helixtrans-67.8-41.2174.6176.20000111I219 G220 A225 K226 I227 V386 I390I219-V223 HydrophobicContact CG2-CG2 4.44Å; I219-V223 VanDerWaalsContact O-CG2 3.3Å; I219-V223 WeakPolarHBondContact O-CG2 3.5Å; I219-V223 PolarHBondContact O-N 2.84Å; G220-V223 PolarHBondContact O-N 3.22Å; V223-A225 PolarHBondContact O-N 3.27Å; V223-K226 WeakPolarHBondContact O-CB 3.19Å; V223-K226 PolarHBondContact O-N 3.07Å; V223-I227 HydrophobicContact CG1-CD1 4.03Å; V223-I227 WeakPolarHBondContact O-CG1 3.4Å; V223-I227 PolarHBondContact O-N 3.35Å; V223-V386 HydrophobicContact CG1-CG1 3.34Å; V223-I390 HydrophobicContact CB-CD1 4.33Å; V223-I390 HydrophobicContact CG1-CD1 4.08Å
224L84.8Confident82.7Confident29 Ų2983.5 Ų83.515%0.15242%0.421CS..Hα-helixtrans-60.7-43.5174.9-170.870.4000111.9G220 L221 K226 I227 Y228 V244 L387 I390G220-L224 WeakPolarHBondContact O-CB 3.42Å; G220-L224 PolarHBondContact O-N 3.12Å; L221-L224 HydrophobicContact CD2-CD2 4.45Å; L221-L224 PolarHBondContact O-N 2.8Å; L224-K226 VanDerWaalsContact C-N 3.31Å; L224-K226 PolarHBondContact O-N 2.7Å; L224-I227 WeakPolarHBondContact O-CB 3.39Å; L224-I227 PolarHBondContact O-N 3.29Å; L224-Y228 PolarHBondContact O-N 3.2Å; L224-V244 HydrophobicContact CD1-CG2 4.15Å; L224-V244 HydrophobicContact CD2-CG2 3.93Å; L224-V244 HydrophobicContact CG-CG2 4.41Å; L224-L387 HydrophobicContact CD1-CD2 3.89Å; L224-I390 HydrophobicContact CB-CD1 4.17Å; L224-I390 HydrophobicContact CD1-CD1 4.32Å
225A86.8Confident82.8Confident51 Ų5185.2 Ų85.242%0.42143%0.425SS..Hα-helixtrans-62.9-38.2175.500000111.8L221 G222 V223 Y228 R229L221-A225 WeakPolarHBondContact O-CB 3.23Å; L221-A225 PolarHBondContact O-N 3.19Å; G222-A225 PolarHBondContact O-N 3.21Å; V223-A225 PolarHBondContact O-N 3.27Å; A225-Y228 PolarHBondContact O-N 3.03Å; A225-R229 WeakPolarHBondContact O-CG 3.27Å; A225-R229 PolarHBondContact O-N 3.21Å
226K86.6Confident82.9Confident162 Ų16282.8 Ų82.870%0.70441%0.408SS*.Hα-helixtrans-64.3-40.8173.6-172.1177.8-178.91770111.9G222 V223 L224 R229 K230G222-K226 PolarHBondContact O-N 3.11Å; V223-K226 WeakPolarHBondContact O-CB 3.19Å; V223-K226 PolarHBondContact O-N 3.07Å; L224-K226 VanDerWaalsContact C-N 3.31Å; L224-K226 PolarHBondContact O-N 2.7Å; K226-R229 PolarHBondContact O-N 3.49Å; K226-K230 PolarHBondContact O-N 3.03Å; K226-K230 VanDerWaalsContact O-N 3.16Å
227I82.8Confident83.2Confident13 Ų1387.3 Ų87.37%0.06742%0.422CS..Hα-helixtrans-63.5-44.1174.9-68.6161.6000110.4V223 L224 R229 K230 A231 L240 V383 V386 L387 I390V223-I227 HydrophobicContact CG1-CD1 4.03Å; V223-I227 WeakPolarHBondContact O-CG1 3.4Å; V223-I227 PolarHBondContact O-N 3.35Å; L224-I227 WeakPolarHBondContact O-CB 3.39Å; L224-I227 PolarHBondContact O-N 3.29Å; I227-R229 VanDerWaalsContact C-N 3.3Å; I227-R229 PolarHBondContact O-N 3.38Å; I227-K230 PolarHBondContact O-N 3.3Å; I227-A231 PolarHBondContact O-N 3.35Å; I227-A231 VanDerWaalsContact O-N 3.17Å; I227-L240 HydrophobicContact CG2-CD1 4.05Å; I227-L240 HydrophobicContact CG2-CD2 3.89Å; I227-V383 HydrophobicContact CB-CG1 4.48Å; I227-V383 HydrophobicContact CD1-CG1 3.87Å; I227-V383 HydrophobicContact CG1-CG1 4Å; I227-V383 HydrophobicContact CG1-CG2 4.43Å; I227-V383 HydrophobicContact CG2-CG1 3.62Å; I227-V386 HydrophobicContact CD1-CB 4.38Å; I227-V386 HydrophobicContact CD1-CG1 3.83Å; I227-L387 HydrophobicContact CD1-CD2 4.2Å; I227-L387 HydrophobicContact CD1-CG 4.4Å; I227-I390 HydrophobicContact CD1-CD1 4.17Å
228Y81.9Confident83.4Confident123 Ų12392.9 Ų92.948%0.48244%0.444SS..Hα-helixtrans-61-39.4178.4-167.2-91.2000112.2L224 A225 K230 A231L224-Y228 PolarHBondContact O-N 3.2Å; A225-Y228 PolarHBondContact O-N 3.03Å; Y228-K230 VanDerWaalsContact C-N 3.31Å; Y228-K230 PolarHBondContact O-N 2.69Å; Y228-A231 WeakPolarHBondContact O-CB 3.39Å; Y228-A231 PolarHBondContact O-N 3.07Å
229R83.2Confident83.4Confident219 Ų21989.8 Ų89.883%0.82643%0.427SS*.Hα-helixtrans-66.2-30.8174.2-73.2180179.2-175.50.2113.3A225 K226 I227 A231A225-R229 WeakPolarHBondContact O-CG 3.27Å; A225-R229 PolarHBondContact O-N 3.21Å; K226-R229 PolarHBondContact O-N 3.49Å; I227-R229 VanDerWaalsContact C-N 3.3Å; I227-R229 PolarHBondContact O-N 3.38Å; R229-A231 VanDerWaalsContact C-N 3.31Å
230K79.2Confident83.5Confident137 Ų13785 Ų8560%0.59640%0.402SS*.Hα-helixtrans-79.2-12.9177.4-162.4177179.4-173.40113K226 I227 Y228 E232K226-K230 PolarHBondContact O-N 3.03Å; K226-K230 VanDerWaalsContact O-N 3.16Å; I227-K230 PolarHBondContact O-N 3.3Å; Y228-K230 VanDerWaalsContact C-N 3.31Å; Y228-K230 PolarHBondContact O-N 2.69Å; K230-E232 PolarHBondContact O-N 3.47Å; K230-E232 VanDerWaalsContact O-N 3.09Å
231A77.4Confident83.7Confident0 Ų086 Ų860%041%0.413CS..  trans-75.898177.900000110.5I227 Y228 R229 Q236 R237 L240I227-A231 PolarHBondContact O-N 3.35Å; I227-A231 VanDerWaalsContact O-N 3.17Å; Y228-A231 WeakPolarHBondContact O-CB 3.39Å; Y228-A231 PolarHBondContact O-N 3.07Å; R229-A231 VanDerWaalsContact C-N 3.31Å; A231-Q236 HydrophobicContact CB-CB 4.29Å; A231-R237 HydrophobicContact CB-CG 3.83Å; A231-R237 PolarHBondContact O-NE 3.23Å; A231-R237 PolarHBondContact O-NH2 3Å; A231-L240 HydrophobicContact CB-CD1 3.57Å
232E77.1Confident83.8Confident165 Ų16584.6 Ų84.677%0.77141%0.406SS*.  trans-78.8-38.9179.2-68.4174.9-178.300111.5K230K230-E232 PolarHBondContact O-N 3.47Å; K230-E232 VanDerWaalsContact O-N 3.09Å
233N82.5Confident83.7Confident95 Ų9582.9 Ų82.951%0.50839%0.386SS..SBendtrans-84.2138-174.1-71.5-28.5000113.3K235 Q236 R237N233-K235 PolarHBondContact O-N 3.39Å; N233-Q236 HydrophobicContact CB-CB 4.19Å; N233-Q236 HydrophobicContact CB-CG 4Å; N233-Q236 WeakPolarHBondContact O-CB 3.4Å; N233-Q236 PolarHBondContact O-N 3.2Å; N233-R237 PolarHBondContact O-N 3.19Å
234Q81.7Confident84Confident139 Ų13983.2 Ų83.265%0.6539%0.388SS*.Hα-helixtrans-52.5-40.5171.5-89.1-95.1-21.500112.5R237 K238Q234-R237 PolarHBondContact O-N 3.32Å; Q234-K238 WeakPolarHBondContact O-CG 3.19Å; Q234-K238 PolarHBondContact O-N 3.02Å
235K82.7Confident84.3Confident122 Ų12284.4 Ų84.453%0.5340%0.397SS..Hα-helixtrans-61.4-46.9175.9-173.3-175.1172.5-161.60111.6N233 R237 K238 E239 E379N233-K235 PolarHBondContact O-N 3.39Å; K235-R237 PolarHBondContact O-N 2.92Å; K235-K238 PolarHBondContact O-N 3.08Å; K235-E239 VanDerWaalsContact CE-OE1 3.31Å; K235-E239 WeakPolarHBondContact CE-OE1 3.38Å; K235-E239 WeakPolarHBondContact O-CG 3.2Å; K235-E239 PolarHBondContact O-N 2.87Å; K235-E379 IonicContact NZ-OE2 3.43Å
236Q82.8Confident84.4Confident33 Ų3382.2 Ų82.215%0.15438%0.378CS..Hα-helixtrans-62.8-41.1178.2-72.7172.4-17.100111.8A231 N233 E239 L240 E379 I380A231-Q236 HydrophobicContact CB-CB 4.29Å; N233-Q236 HydrophobicContact CB-CB 4.19Å; N233-Q236 HydrophobicContact CB-CG 4Å; N233-Q236 WeakPolarHBondContact O-CB 3.4Å; N233-Q236 PolarHBondContact O-N 3.2Å; Q236-E239 PolarHBondContact O-N 2.99Å; Q236-L240 WeakPolarHBondContact O-CB 3.39Å; Q236-L240 WeakPolarHBondContact O-CG 3.29Å; Q236-L240 PolarHBondContact O-N 3.42Å; Q236-E379 PolarHBondContact NE2-O 3.16Å; Q236-I380 HydrophobicContact CB-CD1 4.24Å; Q236-I380 HydrophobicContact CG-CD1 4.24Å; Q236-I380 HydrophobicContact CG-CG1 4.02Å
237R84Confident84.6Confident111 Ų11175 Ų7542%0.41935%0.347SS..Hα-helixtrans-64.2-40.2176.7-69.3-175.4-176177.93112.6A231 N233 Q234 K235 G241A231-R237 HydrophobicContact CB-CG 3.83Å; A231-R237 PolarHBondContact O-NE 3.23Å; A231-R237 PolarHBondContact O-NH2 3Å; N233-R237 PolarHBondContact O-N 3.19Å; Q234-R237 PolarHBondContact O-N 3.32Å; K235-R237 PolarHBondContact O-N 2.92Å; R237-G241 PolarHBondContact O-N 3.47Å
238K85.9Confident85.1Confident144 Ų14479.6 Ų79.663%0.62637%0.367SS*.Hα-helixtrans-65-44.8175-74.3-177.7-179.7-179.20111.5Q234 K235 G241 L242Q234-K238 WeakPolarHBondContact O-CG 3.19Å; Q234-K238 PolarHBondContact O-N 3.02Å; K235-K238 PolarHBondContact O-N 3.08Å; K238-G241 PolarHBondContact O-N 2.83Å; K238-L242 WeakPolarHBondContact O-CG 3.25Å; K238-L242 PolarHBondContact O-N 3.18Å
239E85.3Confident85.6Confident44 Ų4476.9 Ų76.921%0.20636%0.358CS..Hα-helixtrans-64.5-42.5177.2-72.6178.1-179.500112.3K235 Q236 L242 I243K235-E239 VanDerWaalsContact CE-OE1 3.31Å; K235-E239 WeakPolarHBondContact CE-OE1 3.38Å; K235-E239 WeakPolarHBondContact O-CG 3.2Å; K235-E239 PolarHBondContact O-N 2.87Å; Q236-E239 PolarHBondContact O-N 2.99Å; E239-L242 WeakPolarHBondContact O-CB 3.49Å; E239-L242 PolarHBondContact O-N 3.44Å; E239-I243 WeakPolarHBondContact O-CG1 3.42Å; E239-I243 PolarHBondContact O-N 3.35Å
240L86.7Confident86Confident3 Ų366.5 Ų66.52%0.01632%0.319CS..Hα-helixtrans-60.8-45.5172.4-76.5172.7000111.6I227 A231 Q236 L242 I243 V244 I378 I380 L387I227-L240 HydrophobicContact CG2-CD1 4.05Å; I227-L240 HydrophobicContact CG2-CD2 3.89Å; A231-L240 HydrophobicContact CB-CD1 3.57Å; Q236-L240 WeakPolarHBondContact O-CB 3.39Å; Q236-L240 WeakPolarHBondContact O-CG 3.29Å; Q236-L240 PolarHBondContact O-N 3.42Å; L240-L242 VanDerWaalsContact C-N 3.28Å; L240-L242 PolarHBondContact O-N 3.21Å; L240-I243 PolarHBondContact O-N 3.44Å; L240-I243 VanDerWaalsContact O-N 3.13Å; L240-V244 WeakPolarHBondContact O-CG2 3.43Å; L240-V244 PolarHBondContact O-N 2.91Å; L240-I378 HydrophobicContact CD2-CD1 3.42Å; L240-I378 VanDerWaalsContact CD2-CD1 3.42Å; L240-I378 HydrophobicContact CG-CD1 3.65Å; L240-I380 HydrophobicContact CD1-CD1 4.1Å; L240-I380 HydrophobicContact CG-CD1 4.39Å; L240-L387 HydrophobicContact CD2-CD1 3.99Å; L240-L387 HydrophobicContact CD2-CD2 4.28Å
241G87Confident86.7Confident29 Ų2961.1 Ų61.130%0.29930%0.296SS..Hα-helixtrans-57-42.5175.300000112.1R237 K238 V244 T245R237-G241 PolarHBondContact O-N 3.47Å; K238-G241 PolarHBondContact O-N 2.83Å; G241-V244 PolarHBondContact O-N 2.96Å; G241-T245 PolarHBondContact O-N 3.26Å; G241-T245 PolarHBondContact O-OG1 2.9Å
242L87.8Confident87.4Confident59 Ų5964 Ų6431%0.30931%0.311SS..Hα-helixtrans-62.6-45173.7-69.1172.8000112K238 E239 L240 V244 T245 L246 T314 W318K238-L242 WeakPolarHBondContact O-CG 3.25Å; K238-L242 PolarHBondContact O-N 3.18Å; E239-L242 WeakPolarHBondContact O-CB 3.49Å; E239-L242 PolarHBondContact O-N 3.44Å; L240-L242 VanDerWaalsContact C-N 3.28Å; L240-L242 PolarHBondContact O-N 3.21Å; L242-V244 PolarHBondContact O-N 3.17Å; L242-T245 PolarHBondContact O-N 2.94Å; L242-L246 WeakPolarHBondContact O-CB 3.39Å; L242-L246 VanDerWaalsContact O-CG 3.24Å; L242-L246 WeakPolarHBondContact O-CG 3.49Å; L242-L246 PolarHBondContact O-N 3.48Å; L242-T314 HydrophobicContact CD1-CG2 4.33Å; L242-W318 HydrophobicContact CD2-CZ2 4.5Å
243I87.9Confident88.2Confident7 Ų756.1 Ų56.14%0.03627%0.274CS..Hα-helixtrans-62.2-42.9178.8-69.8165.3000111.2E239 L240 L246 T247 Q374 I375 I378 L387E239-I243 WeakPolarHBondContact O-CG1 3.42Å; E239-I243 PolarHBondContact O-N 3.35Å; L240-I243 PolarHBondContact O-N 3.44Å; L240-I243 VanDerWaalsContact O-N 3.13Å; I243-L246 PolarHBondContact O-N 2.87Å; I243-T247 WeakPolarHBondContact O-CB 3.29Å; I243-T247 PolarHBondContact O-N 3.19Å; I243-T247 PolarHBondContact O-OG1 3.38Å; I243-Q374 HydrophobicContact CG1-CB 4.4Å; I243-I375 HydrophobicContact CG1-CG1 4.47Å; I243-I375 HydrophobicContact CG2-CG1 3.83Å; I243-I378 HydrophobicContact CD1-CB 4.26Å; I243-I378 HydrophobicContact CD1-CD1 3.95Å; I243-L387 HydrophobicContact CD1-CD1 4.31Å
244V90Very high88.7Confident62 Ų6252.6 Ų52.638%0.37625%0.254SS..Hα-helixtrans-61.3-47177.6173.10000110.4L224 L240 G241 L242 T247 F248L224-V244 HydrophobicContact CD1-CG2 4.15Å; L224-V244 HydrophobicContact CD2-CG2 3.93Å; L224-V244 HydrophobicContact CG-CG2 4.41Å; L240-V244 WeakPolarHBondContact O-CG2 3.43Å; L240-V244 PolarHBondContact O-N 2.91Å; G241-V244 PolarHBondContact O-N 2.96Å; L242-V244 PolarHBondContact O-N 3.17Å; V244-T247 PolarHBondContact O-N 3.22Å; V244-F248 PolarHBondContact O-N 2.93Å
245T90.2Very high89.3Confident54 Ų5446 Ų4633%0.33122%0.223SC..Hα-helixtrans-62.6-44177.2-56.10000112G241 L242 T247 F248 F249 W318G241-T245 PolarHBondContact O-N 3.26Å; G241-T245 PolarHBondContact O-OG1 2.9Å; L242-T245 PolarHBondContact O-N 2.94Å; T245-T247 VanDerWaalsContact C-N 3.33Å; T245-T247 PolarHBondContact O-N 3.38Å; T245-F248 WeakPolarHBondContact O-CB 3.4Å; T245-F248 PolarHBondContact O-N 3.39Å; T245-F249 HydrophobicContact CG2-CD2 3.91Å; T245-F249 HydrophobicContact CG2-CE2 3.72Å; T245-F249 VanDerWaalsContact O-CD2 3.25Å; T245-F249 WeakPolarHBondContact O-CD2 3.4Å; T245-F249 PolarHBondContact O-N 3.4Å; T245-F249 VanDerWaalsContact O-N 3.1Å; T245-W318 HydrophobicContact CG2-CH2 3.63Å; T245-W318 HydrophobicContact CG2-CZ2 4.21Å
246L89.9Confident89.7Confident6 Ų644.2 Ų44.23%0.03122%0.215CC..Hα-helixtrans-62.8-40.2175.7-70.4173.5000111.8L242 I243 F248 F249 S250 I317 F321 Q374L242-L246 WeakPolarHBondContact O-CB 3.39Å; L242-L246 VanDerWaalsContact O-CG 3.24Å; L242-L246 WeakPolarHBondContact O-CG 3.49Å; L242-L246 PolarHBondContact O-N 3.48Å; I243-L246 PolarHBondContact O-N 2.87Å; L246-F248 VanDerWaalsContact C-N 3.32Å; L246-F248 PolarHBondContact O-N 3.44Å; L246-F249 PolarHBondContact O-N 3.46Å; L246-S250 WeakPolarHBondContact O-CB 3.45Å; L246-S250 PolarHBondContact O-N 3.34Å; L246-S250 PolarHBondContact O-OG 3.21Å; L246-I317 HydrophobicContact CD1-CG2 4.08Å; L246-I317 HydrophobicContact CD2-CG2 4.05Å; L246-F321 HydrophobicContact CB-CZ 4.36Å; L246-F321 HydrophobicContact CD2-CD1 4.25Å; L246-F321 HydrophobicContact CD2-CD2 3.77Å; L246-F321 HydrophobicContact CD2-CE1 4.25Å; L246-F321 HydrophobicContact CD2-CE2 3.77Å; L246-F321 HydrophobicContact CD2-CG 3.97Å; L246-F321 HydrophobicContact CD2-CZ 3.98Å; L246-Q374 HydrophobicContact CD1-CB 4.17Å; L246-Q374 HydrophobicContact CD1-CG 3.79Å
247T91.3Very high90.2Very high9 Ų943.1 Ų43.16%0.05521%0.212CC..Hα-helixtrans-64.6-38.9178.3-55.10000111.3I243 V244 T245 S250 M251 Y391 L394I243-T247 WeakPolarHBondContact O-CB 3.29Å; I243-T247 PolarHBondContact O-N 3.19Å; I243-T247 PolarHBondContact O-OG1 3.38Å; V244-T247 PolarHBondContact O-N 3.22Å; T245-T247 VanDerWaalsContact C-N 3.33Å; T245-T247 PolarHBondContact O-N 3.38Å; T247-S250 PolarHBondContact O-N 3Å; T247-M251 WeakPolarHBondContact O-CB 3.23Å; T247-M251 PolarHBondContact O-N 2.84Å; T247-Y391 HydrophobicContact CG2-CD2 3.85Å; T247-L394 HydrophobicContact CG2-CB 3.76Å; T247-L394 HydrophobicContact CG2-CD1 3.61Å; T247-L394 HydrophobicContact CG2-CG 4.27Å
248F92.1Very high90.4Very high111 Ų11138.3 Ų38.349%0.48719%0.194SC..Hα-helixtrans-62-49.1174.2175.6-100.5000111.9V244 T245 L246 S250 M251 L252V244-F248 PolarHBondContact O-N 2.93Å; T245-F248 WeakPolarHBondContact O-CB 3.4Å; T245-F248 PolarHBondContact O-N 3.39Å; L246-F248 VanDerWaalsContact C-N 3.32Å; L246-F248 PolarHBondContact O-N 3.44Å; F248-S250 PolarHBondContact O-N 3.42Å; F248-M251 WeakPolarHBondContact O-CB 3.3Å; F248-M251 PolarHBondContact O-N 2.98Å; F248-L252 HydrophobicContact CD1-CD1 4.28Å; F248-L252 HydrophobicContact CE1-CD1 3.65Å; F248-L252 HydrophobicContact CE1-CG 4.46Å; F248-L252 HydrophobicContact CZ-CD1 3.87Å; F248-L252 HydrophobicContact CZ-CG 4.41Å; F248-L252 PolarHBondContact O-N 2.74Å; F248-L252 VanDerWaalsContact O-N 3.12Å
249F92.6Very high90.5Very high66 Ų6631.6 Ų31.629%0.28917%0.165SC..Hα-helixtrans-67.7-34.6177.2-75.7-69.5000112.9T245 L246 M251 L252 F253 W318 F321 L325T245-F249 HydrophobicContact CG2-CD2 3.91Å; T245-F249 HydrophobicContact CG2-CE2 3.72Å; T245-F249 VanDerWaalsContact O-CD2 3.25Å; T245-F249 WeakPolarHBondContact O-CD2 3.4Å; T245-F249 PolarHBondContact O-N 3.4Å; T245-F249 VanDerWaalsContact O-N 3.1Å; L246-F249 PolarHBondContact O-N 3.46Å; F249-M251 VanDerWaalsContact C-N 3.34Å; F249-L252 HydrophobicContact CD1-CD1 4.39Å; F249-L252 PolarHBondContact O-N 3.3Å; F249-F253 WeakPolarHBondContact O-CB 3.21Å; F249-F253 PolarHBondContact O-N 3.08Å; F249-W318 HydrophobicContact CD2-CZ3 4.45Å; F249-W318 HydrophobicContact CE2-CH2 4.24Å; F249-W318 HydrophobicContact CE2-CZ3 4.15Å; F249-F321 HydrophobicContact CB-CD1 3.91Å; F249-F321 HydrophobicContact CB-CE1 3.51Å; F249-L325 HydrophobicContact CB-CD1 4.47Å; F249-L325 HydrophobicContact CD1-CD1 3.93Å; F249-L325 HydrophobicContact CG-CD1 4.43Å
250S92.7Very high90.6Very high0 Ų029.9 Ų29.90%016%0.159CC..Hα-helixtrans-61.6-42170.9-79.90000111.7L246 T247 F248 L252 F253 W254 F321 I367 Y391L246-S250 WeakPolarHBondContact O-CB 3.45Å; L246-S250 PolarHBondContact O-N 3.34Å; L246-S250 PolarHBondContact O-OG 3.21Å; T247-S250 PolarHBondContact O-N 3Å; F248-S250 PolarHBondContact O-N 3.42Å; S250-L252 VanDerWaalsContact C-N 3.33Å; S250-L252 PolarHBondContact O-N 2.87Å; S250-F253 PolarHBondContact O-N 2.94Å; S250-W254 WeakPolarHBondContact O-CB 3.33Å; S250-W254 VanDerWaalsContact O-CD1 3.24Å; S250-W254 PolarHBondContact O-N 3.26Å; S250-F321 WeakPolarHBondContact OG-CZ 3.23Å; S250-I367 WeakPolarHBondContact OG-CG2 3.08Å; S250-Y391 WeakPolarHBondContact CB-OH 3.46Å; S250-Y391 WeakPolarHBondContact OG-CE2 3.33Å; S250-Y391 PolarHBondContact OG-OH 3.09Å
251M93Very high90.4Very high25 Ų2529.9 Ų29.912%0.12316%0.16CC..Hα-helixtrans-58.9-46.4176.2175.9-164.7-62.200110.9T247 F248 F249 W254 A255 L394 I398 A399 L402T247-M251 WeakPolarHBondContact O-CB 3.23Å; T247-M251 PolarHBondContact O-N 2.84Å; F248-M251 WeakPolarHBondContact O-CB 3.3Å; F248-M251 PolarHBondContact O-N 2.98Å; F249-M251 VanDerWaalsContact C-N 3.34Å; M251-W254 PolarHBondContact O-N 3.33Å; M251-A255 WeakPolarHBondContact O-CB 3.4Å; M251-A255 PolarHBondContact O-N 3.36Å; M251-L394 HydrophobicContact CE-CB 3.6Å; M251-L394 HydrophobicContact CE-CD1 4.44Å; M251-L394 HydrophobicContact CE-CD2 3.79Å; M251-L394 HydrophobicContact CE-CG 4.12Å; M251-L394 WeakPolarHBondContact CG-O 3.36Å; M251-I398 HydrophobicContact CE-CB 4.36Å; M251-I398 HydrophobicContact CE-CD1 4.27Å; M251-I398 HydrophobicContact CE-CG2 4.22Å; M251-I398 HydrophobicContact SD-CG2 4Å; M251-A399 HydrophobicContact CG-CB 4.31Å; M251-A399 WeakPolarHBondContact O-CB 3.49Å; M251-L402 HydrophobicContact CG-CD1 4.2Å; M251-L402 HydrophobicContact SD-CD1 3.97Å
252L92.4Very high90.4Very high59 Ų5928.7 Ų28.731%0.30915%0.147SC..Hα-helixtrans-62.1-49.3176.1-67.2177.5000111.4F248 F249 S250 W254 A255 F256F248-L252 HydrophobicContact CD1-CD1 4.28Å; F248-L252 HydrophobicContact CE1-CD1 3.65Å; F248-L252 HydrophobicContact CE1-CG 4.46Å; F248-L252 HydrophobicContact CZ-CD1 3.87Å; F248-L252 HydrophobicContact CZ-CG 4.41Å; F248-L252 PolarHBondContact O-N 2.74Å; F248-L252 VanDerWaalsContact O-N 3.12Å; F249-L252 HydrophobicContact CD1-CD1 4.39Å; F249-L252 PolarHBondContact O-N 3.3Å; S250-L252 VanDerWaalsContact C-N 3.33Å; S250-L252 PolarHBondContact O-N 2.87Å; L252-W254 VanDerWaalsContact C-N 3.31Å; L252-W254 PolarHBondContact O-N 3.29Å; L252-A255 PolarHBondContact O-N 3.49Å; L252-F256 WeakPolarHBondContact O-CD2 3.21Å; L252-F256 PolarHBondContact O-N 3.34Å; L252-F256 VanDerWaalsContact O-N 3.13Å
253F94.5Very high90.3Very high1 Ų126.7 Ų26.70%0.00414%0.138CC..Hα-helixtrans-53.4-49.3177.4173.6-91.8000111.5F249 S250 F256 A257 L325 M328 A363 E364 I367F249-F253 WeakPolarHBondContact O-CB 3.21Å; F249-F253 PolarHBondContact O-N 3.08Å; S250-F253 PolarHBondContact O-N 2.94Å; F253-F256 PolarHBondContact O-N 3.32Å; F253-A257 HydrophobicContact CD1-CB 4.46Å; F253-A257 HydrophobicContact CE1-CB 4.06Å; F253-A257 HydrophobicContact CZ-CB 4.41Å; F253-A257 WeakPolarHBondContact O-CB 3.43Å; F253-A257 PolarHBondContact O-N 3.49Å; F253-L325 HydrophobicContact CB-CD2 4.05Å; F253-L325 HydrophobicContact CD2-CD2 4.26Å; F253-M328 HydrophobicContact CD2-CB 4.08Å; F253-M328 HydrophobicContact CD2-CE 3.85Å; F253-M328 HydrophobicContact CD2-CG 4.2Å; F253-M328 HydrophobicContact CE1-CE 4.16Å; F253-M328 HydrophobicContact CE2-CB 3.89Å; F253-M328 HydrophobicContact CE2-CE 3.19Å; F253-M328 HydrophobicContact CE2-CG 4.19Å; F253-M328 HydrophobicContact CZ-CE 3.34Å; F253-A363 HydrophobicContact CE2-CB 3.64Å; F253-A363 HydrophobicContact CZ-CB 3.99Å; F253-E364 HydrophobicContact CE1-CB 4.31Å; F253-E364 HydrophobicContact CE1-CG 4.45Å; F253-E364 VanDerWaalsContact CZ-CA 3.46Å; F253-E364 HydrophobicContact CZ-CB 4.13Å; F253-I367 HydrophobicContact CB-CG2 4.34Å; F253-I367 HydrophobicContact CD1-CB 4.14Å; F253-I367 HydrophobicContact CD1-CG1 4.07Å; F253-I367 HydrophobicContact CD1-CG2 3.93Å; F253-I367 HydrophobicContact CD2-CD1 4.35Å; F253-I367 HydrophobicContact CD2-CG1 3.72Å; F253-I367 HydrophobicContact CE1-CB 4.32Å; F253-I367 HydrophobicContact CE1-CG1 4.25Å; F253-I367 HydrophobicContact CE2-CG1 3.87Å; F253-I367 HydrophobicContact CG-CB 4.34Å; F253-I367 HydrophobicContact CG-CG1 3.82Å; F253-I367 HydrophobicContact CG-CG2 4.12Å; F253-I367 HydrophobicContact CZ-CG1 4.17Å
254W93.2Very high90.3Very high21 Ų2126.9 Ų26.98%0.0814%0.139CC..Hα-helixtrans-69.1-34.7-179.5-82.3110.2000112.6S250 M251 L252 F256 A257 Q258 E364 D368 S395 A399S250-W254 WeakPolarHBondContact O-CB 3.33Å; S250-W254 VanDerWaalsContact O-CD1 3.24Å; S250-W254 PolarHBondContact O-N 3.26Å; M251-W254 PolarHBondContact O-N 3.33Å; L252-W254 VanDerWaalsContact C-N 3.31Å; L252-W254 PolarHBondContact O-N 3.29Å; W254-F256 PolarHBondContact O-N 2.9Å; W254-A257 HydrophobicContact CE3-CB 3.98Å; W254-A257 HydrophobicContact CZ3-CB 4.38Å; W254-A257 PolarHBondContact O-N 2.97Å; W254-Q258 HydrophobicContact CE3-CG 4.3Å; W254-Q258 VanDerWaalsContact CZ3-NE2 3.31Å; W254-Q258 WeakPolarHBondContact O-CB 3.28Å; W254-Q258 WeakPolarHBondContact O-CG 3.47Å; W254-Q258 PolarHBondContact O-N 3.02Å; W254-E364 HydrophobicContact CH2-CG 3.74Å; W254-E364 WeakPolarHBondContact CH2-OE1 3.15Å; W254-E364 HydrophobicContact CZ2-CG 3.85Å; W254-D368 WeakPolarHBondContact CZ2-OD2 3.38Å; W254-D368 PolarHBondContact NE1-OD1 3.35Å; W254-S395 WeakPolarHBondContact CB-O 3.44Å; W254-A399 HydrophobicContact CB-CB 3.69Å
255A93Very high90.2Very high1 Ų124 Ų241%0.00812%0.122CC..Hα-helixtrans-60.6-36.1174.900000111.8M251 L252 Q259 A399 L402 A403 I406M251-A255 WeakPolarHBondContact O-CB 3.4Å; M251-A255 PolarHBondContact O-N 3.36Å; L252-A255 PolarHBondContact O-N 3.49Å; A255-Q259 PolarHBondContact O-NE2 2.89Å; A255-A399 WeakPolarHBondContact CA-O 3.4Å; A255-A399 HydrophobicContact CB-CB 4.38Å; A255-L402 HydrophobicContact CB-CB 3.9Å; A255-A403 WeakPolarHBondContact O-CB 3.41Å; A255-I406 HydrophobicContact CB-CD1 4.35Å
256F92.5Very high89.9Confident83 Ų8321.5 Ų21.536%0.36411%0.107SC..Hα-helixtrans-79.2-41.6173.7-73.9-64.2000112.8L252 F253 W254 Q258 Q259 M328 F332 I406L252-F256 WeakPolarHBondContact O-CD2 3.21Å; L252-F256 PolarHBondContact O-N 3.34Å; L252-F256 VanDerWaalsContact O-N 3.13Å; F253-F256 PolarHBondContact O-N 3.32Å; W254-F256 PolarHBondContact O-N 2.9Å; F256-Q258 VanDerWaalsContact C-N 3.29Å; F256-Q258 PolarHBondContact O-N 2.9Å; F256-Q259 WeakPolarHBondContact O-CB 3.28Å; F256-Q259 VanDerWaalsContact O-CG 3.23Å; F256-Q259 WeakPolarHBondContact O-CG 3.48Å; F256-Q259 PolarHBondContact O-N 2.95Å; F256-Q259 VanDerWaalsContact O-N 3.11Å; F256-M328 HydrophobicContact CB-CG 4.42Å; F256-F332 HydrophobicContact CB-CE2 3.72Å; F256-F332 HydrophobicContact CB-CZ 4.11Å; F256-F332 HydrophobicContact CD1-CE2 4.26Å; F256-F332 HydrophobicContact CD1-CZ 4.22Å; F256-F332 HydrophobicContact CG-CE2 4.35Å; F256-F332 WeakPolarHBondContact O-CZ 3.37Å; F256-I406 HydrophobicContact CE1-CD1 4.18Å; F256-I406 HydrophobicContact CZ-CD1 4.4Å
257A91.8Very high89.7Confident10 Ų1023.5 Ų23.58%0.08311%0.114CC..Hα-helixtrans-61.3-38.1178.200000112.2F253 W254 Q259 G260 M328F253-A257 HydrophobicContact CD1-CB 4.46Å; F253-A257 HydrophobicContact CE1-CB 4.06Å; F253-A257 HydrophobicContact CZ-CB 4.41Å; F253-A257 WeakPolarHBondContact O-CB 3.43Å; F253-A257 PolarHBondContact O-N 3.49Å; W254-A257 HydrophobicContact CE3-CB 3.98Å; W254-A257 HydrophobicContact CZ3-CB 4.38Å; W254-A257 PolarHBondContact O-N 2.97Å; A257-Q259 PolarHBondContact O-N 3.16Å; A257-G260 PolarHBondContact O-N 3.31Å; A257-G260 VanDerWaalsContact O-N 3.12Å; A257-M328 HydrophobicContact CB-CE 3.62Å
258Q89.2Confident89.4Confident10 Ų1023.2 Ų23.25%0.04711%0.112CC..G310 helixtrans-71.2-7.8179.1-63.5-63-18.900113.4W254 F256 G260 G261 S262 N400 A403W254-Q258 HydrophobicContact CE3-CG 4.3Å; W254-Q258 VanDerWaalsContact CZ3-NE2 3.31Å; W254-Q258 WeakPolarHBondContact O-CB 3.28Å; W254-Q258 WeakPolarHBondContact O-CG 3.47Å; W254-Q258 PolarHBondContact O-N 3.02Å; F256-Q258 VanDerWaalsContact C-N 3.29Å; F256-Q258 PolarHBondContact O-N 2.9Å; Q258-G260 PolarHBondContact O-N 3.09Å; Q258-G261 PolarHBondContact O-N 3.46Å; Q258-S262 PolarHBondContact O-OG 3.3Å; Q258-S262 VanDerWaalsContact O-OG 3.07Å; Q258-N400 VanDerWaalsContact CG-OD1 3.31Å; Q258-N400 WeakPolarHBondContact CG-OD1 3.22Å; Q258-A403 HydrophobicContact CB-CB 3.8Å
259Q88.5Confident89Confident3 Ų319 Ų191%0.0149%0.094CC..G310 helixtrans-59.4-29.4167-62.7-56.7-35.300111.8A255 F256 A257 G261 S262 S263 I264 F332 A403A255-Q259 PolarHBondContact O-NE2 2.89Å; F256-Q259 WeakPolarHBondContact O-CB 3.28Å; F256-Q259 VanDerWaalsContact O-CG 3.23Å; F256-Q259 WeakPolarHBondContact O-CG 3.48Å; F256-Q259 PolarHBondContact O-N 2.95Å; F256-Q259 VanDerWaalsContact O-N 3.11Å; A257-Q259 PolarHBondContact O-N 3.16Å; Q259-G261 PolarHBondContact O-N 2.94Å; Q259-S262 WeakPolarHBondContact CA-OG 3.19Å; Q259-S262 CarbonylContact O-C 3.51Å; Q259-S262 PolarHBondContact O-N 3.32Å; Q259-S262 PolarHBondContact O-OG 3.37Å; Q259-S263 PolarHBondContact O-N 3.02Å; Q259-S263 PolarHBondContact OE1-OG 3.3Å; Q259-I264 HydrophobicContact CB-CD1 3.8Å; Q259-I264 HydrophobicContact CB-CG1 4.1Å; Q259-I264 WeakPolarHBondContact O-CB 3.36Å; Q259-I264 PolarHBondContact O-N 2.83Å; Q259-F332 HydrophobicContact CB-CE1 4.48Å; Q259-F332 HydrophobicContact CB-CZ 4.1Å; Q259-F332 HydrophobicContact CG-CZ 4.12Å; Q259-A403 VanDerWaalsContact NE2-CA 3.26Å; Q259-A403 PolarHBondContact NE2-O 3.31Å
260G85.6Confident88.5Confident8 Ų821.3 Ų21.38%0.08210%0.101CC..G310 helixtrans-51.9-44.9175.800000111.9A257 Q258 S265 Q287A257-G260 PolarHBondContact O-N 3.31Å; A257-G260 VanDerWaalsContact O-N 3.12Å; Q258-G260 PolarHBondContact O-N 3.09Å; G260-S265 PolarHBondContact O-N 3.35Å; G260-Q287 PolarHBondContact O-NE2 2.67Å
261G83.3Confident87.9Confident4 Ų426.3 Ų26.34%0.04112%0.123CC..G310 helixtrans-82.9-4.9-179.800000115.6F24 Q258 Q259F24-G261 WeakPolarHBondContact CZ-O 3.44Å; Q258-G261 PolarHBondContact O-N 3.46Å; Q259-G261 PolarHBondContact O-N 2.94Å
262S86.8Confident87.1Confident3 Ų325.5 Ų25.52%0.02112%0.12CC..THydrogen-bonded Turntrans-125.9-99.8-173.752.40000111.6Q258 Q259 I264 S265 L266Q258-S262 PolarHBondContact O-OG 3.3Å; Q258-S262 VanDerWaalsContact O-OG 3.07Å; Q259-S262 WeakPolarHBondContact CA-OG 3.19Å; Q259-S262 CarbonylContact O-C 3.51Å; Q259-S262 PolarHBondContact O-N 3.32Å; Q259-S262 PolarHBondContact O-OG 3.37Å; S262-I264 PolarHBondContact O-N 3.48Å; S262-S265 WeakPolarHBondContact O-CB 3.28Å; S262-S265 PolarHBondContact O-N 3.18Å; S262-S265 VanDerWaalsContact O-N 3.11Å; S262-L266 PolarHBondContact O-N 3.11Å
263S87Confident86.2Confident17 Ų1725.7 Ų25.712%0.11912%0.121CC..Hα-helixtrans-58.8-43.5-17559.70000113Q259 S265 L266 Y267Q259-S263 PolarHBondContact O-N 3.02Å; Q259-S263 PolarHBondContact OE1-OG 3.3Å; S263-S265 VanDerWaalsContact C-N 3.28Å; S263-S265 PolarHBondContact O-N 3.26Å; S263-L266 PolarHBondContact O-N 3.49Å; S263-Y267 WeakPolarHBondContact O-CB 3.49Å; S263-Y267 PolarHBondContact O-N 3.03Å
264I87.2Confident85.5Confident12 Ų1228.1 Ų28.16%0.06213%0.13CC..Hα-helixtrans-65.1-37.2179.7-61.7169.7000109.9Q259 S262 L266 Y267 I268 F332 L335 M353 L357 M360Q259-I264 HydrophobicContact CB-CD1 3.8Å; Q259-I264 HydrophobicContact CB-CG1 4.1Å; Q259-I264 WeakPolarHBondContact O-CB 3.36Å; Q259-I264 PolarHBondContact O-N 2.83Å; S262-I264 PolarHBondContact O-N 3.48Å; I264-L266 PolarHBondContact O-N 3.41Å; I264-Y267 PolarHBondContact O-N 2.9Å; I264-I268 HydrophobicContact CG2-CD1 3.84Å; I264-I268 HydrophobicContact CG2-CG1 4.26Å; I264-I268 WeakPolarHBondContact O-CG1 3.14Å; I264-I268 PolarHBondContact O-N 3.18Å; I264-F332 HydrophobicContact CD1-CE1 4.16Å; I264-F332 HydrophobicContact CD1-CZ 4.34Å; I264-L335 HydrophobicContact CD1-CD1 3.6Å; I264-L335 HydrophobicContact CG1-CD1 4.27Å; I264-M353 HydrophobicContact CG2-SD 4.07Å; I264-L357 HydrophobicContact CG2-CD2 4.02Å; I264-M360 HydrophobicContact CD1-CE 4Å; I264-M360 HydrophobicContact CD1-SD 4.2Å
265S87Confident84.5Confident1 Ų131.4 Ų31.41%0.00715%0.149CC..Hα-helixtrans-62.9-41.6177.3-164.50000112.1G260 S262 S263 D269G260-S265 PolarHBondContact O-N 3.35Å; S262-S265 WeakPolarHBondContact O-CB 3.28Å; S262-S265 PolarHBondContact O-N 3.18Å; S262-S265 VanDerWaalsContact O-N 3.11Å; S263-S265 VanDerWaalsContact C-N 3.28Å; S263-S265 PolarHBondContact O-N 3.26Å; S265-D269 PolarHBondContact O-N 2.71Å; S265-D269 VanDerWaalsContact O-N 3.17Å
266L85.2Confident83.2Confident2 Ų235.5 Ų35.51%0.0117%0.169CC..Hα-helixtrans-72-36176-68.6178.1000112.2I6 L7 T10 Y21 S262 S263 I264 I268 D269 R270I6-L266 HydrophobicContact CD1-CD1 3.76Å; I6-L266 HydrophobicContact CD1-CG 4.04Å; I6-L266 HydrophobicContact CG1-CD1 3.98Å; I6-L266 HydrophobicContact CG1-CD2 4.32Å; I6-L266 HydrophobicContact CG1-CG 4.14Å; L7-L266 HydrophobicContact CD2-CD2 4.21Å; T10-L266 HydrophobicContact CG2-CD1 3.9Å; T10-L266 HydrophobicContact CG2-CD2 3.79Å; T10-L266 VanDerWaalsContact OG1-CD2 3.25Å; T10-L266 WeakPolarHBondContact OG1-CD2 3.31Å; Y21-L266 HydrophobicContact CE1-CD1 3.69Å; Y21-L266 WeakPolarHBondContact OH-CD1 3.42Å; S262-L266 PolarHBondContact O-N 3.11Å; S263-L266 PolarHBondContact O-N 3.49Å; I264-L266 PolarHBondContact O-N 3.41Å; L266-I268 VanDerWaalsContact C-N 3.35Å; L266-I268 PolarHBondContact O-N 3.29Å; L266-D269 PolarHBondContact O-N 3.34Å; L266-R270 WeakPolarHBondContact O-CB 3.47Å; L266-R270 WeakPolarHBondContact O-CG 3.02Å; L266-R270 PolarHBondContact O-N 2.85Å
267Y85Confident82Confident48 Ų4842.3 Ų42.319%0.18820%0.199CC..Hα-helixtrans-61.4-43.4173.6174.1-92.3000111.7S263 I264 D269 R270 F271 V272 A339 S348 M353S263-Y267 WeakPolarHBondContact O-CB 3.49Å; S263-Y267 PolarHBondContact O-N 3.03Å; I264-Y267 PolarHBondContact O-N 2.9Å; Y267-D269 VanDerWaalsContact C-N 3.3Å; Y267-D269 PolarHBondContact O-N 3.32Å; Y267-R270 PolarHBondContact O-N 2.98Å; Y267-F271 HydrophobicContact CD2-CB 4.09Å; Y267-F271 AromaticContact CD2-CD2 3.47Å; Y267-F271 HydrophobicContact CD2-CD2 3.47Å; Y267-F271 VanDerWaalsContact CD2-CD2 3.47Å; Y267-F271 HydrophobicContact CD2-CE2 4.27Å; Y267-F271 HydrophobicContact CD2-CG 4.12Å; Y267-F271 HydrophobicContact CE2-CB 3.67Å; Y267-F271 AromaticContact CE2-CD2 3.76Å; Y267-F271 HydrophobicContact CE2-CD2 3.76Å; Y267-F271 AromaticContact CE2-CG 3.94Å; Y267-F271 HydrophobicContact CE2-CG 3.94Å; Y267-F271 HydrophobicContact CG-CD2 4.28Å; Y267-F271 PolarHBondContact O-N 2.97Å; Y267-V272 HydrophobicContact CD1-CG2 4.22Å; Y267-V272 HydrophobicContact CE1-CG2 3.81Å; Y267-A339 HydrophobicContact CE2-CB 4.12Å; Y267-A339 WeakPolarHBondContact OH-CA 3.12Å; Y267-S348 VanDerWaalsContact OH-CB 3.31Å; Y267-S348 WeakPolarHBondContact OH-CB 3.12Å; Y267-S348 PolarHBondContact OH-OG 3.45Å; Y267-M353 HydrophobicContact CD1-CE 3.51Å; Y267-M353 HydrophobicContact CE1-CE 3.39Å
268I85.4Confident80.9Confident2 Ų245.5 Ų45.51%0.0123%0.233CC..Hα-helixtrans-63-39.7175.9-63.5164.4000110.9I264 L266 R270 V272 T283 F286 M353 L357I264-I268 HydrophobicContact CG2-CD1 3.84Å; I264-I268 HydrophobicContact CG2-CG1 4.26Å; I264-I268 WeakPolarHBondContact O-CG1 3.14Å; I264-I268 PolarHBondContact O-N 3.18Å; L266-I268 VanDerWaalsContact C-N 3.35Å; L266-I268 PolarHBondContact O-N 3.29Å; I268-R270 VanDerWaalsContact C-N 3.34Å; I268-R270 PolarHBondContact O-N 2.92Å; I268-V272 HydrophobicContact CB-CG2 4.26Å; I268-V272 HydrophobicContact CG1-CG2 4.2Å; I268-V272 HydrophobicContact CG2-CB 4.16Å; I268-V272 HydrophobicContact CG2-CG2 4.31Å; I268-V272 WeakPolarHBondContact O-CB 3.48Å; I268-V272 PolarHBondContact O-N 3.24Å; I268-T283 HydrophobicContact CB-CG2 4.32Å; I268-T283 HydrophobicContact CG2-CG2 3.88Å; I268-F286 HydrophobicContact CD1-CB 3.95Å; I268-F286 HydrophobicContact CD1-CD1 4.07Å; I268-F286 HydrophobicContact CD1-CG 3.99Å; I268-F286 HydrophobicContact CG2-CD1 4.38Å; I268-F286 HydrophobicContact CG2-CD2 3.83Å; I268-F286 HydrophobicContact CG2-CE1 4.33Å; I268-F286 HydrophobicContact CG2-CE2 3.76Å; I268-F286 HydrophobicContact CG2-CG 4.14Å; I268-F286 HydrophobicContact CG2-CZ 4.02Å; I268-M353 HydrophobicContact CD1-CE 4.49Å; I268-M353 HydrophobicContact CD1-CG 3.85Å; I268-M353 HydrophobicContact CD1-SD 3.63Å; I268-M353 HydrophobicContact CG1-CE 3.8Å; I268-M353 HydrophobicContact CG1-CG 3.79Å; I268-M353 HydrophobicContact CG1-SD 3.59Å; I268-M353 VanDerWaalsContact CG1-SD 3.59Å; I268-L357 HydrophobicContact CD1-CD1 4.03Å
269D83.7Confident80.1Confident22 Ų2249.7 Ų49.712%0.11825%0.25CC..Hα-helixtrans-65-39.1179.4-164.753.4000112.6L7 N11 S265 L266 Y267 R274 T283L7-D269 HydrophobicContact CD2-CB 3.98Å; N11-D269 PolarHBondContact ND2-OD2 2.89Å; S265-D269 PolarHBondContact O-N 2.71Å; S265-D269 VanDerWaalsContact O-N 3.17Å; L266-D269 PolarHBondContact O-N 3.34Å; Y267-D269 VanDerWaalsContact C-N 3.3Å; Y267-D269 PolarHBondContact O-N 3.32Å; D269-R274 PolarHBondContact O-NH2 2.96Å; D269-R274 IonicContact OD1-CZ 3.19Å; D269-R274 IonicContact OD1-NH1 2.74Å; D269-R274 PolarHBondContact OD1-NH1 3.43Å; D269-R274 IonicContact OD1-NH2 3.02Å; D269-R274 PolarHBondContact OD1-NH2 3.06Å; D269-T283 VanDerWaalsContact CA-CG2 3.4Å; D269-T283 HydrophobicContact CB-CG2 3.62Å; D269-T283 WeakPolarHBondContact OD1-CG2 3.47Å
270R82.6Confident79.7Confident116 Ų11652.4 Ų52.444%0.43827%0.266SS..Hα-helixtrans-92.8-37.2-171.2-66.6176.6-177.41753.8114.8D17 L266 Y267 I268D17-R270 IonicContact OD1-CZ 3.83Å; D17-R270 IonicContact OD1-NH1 3.58Å; D17-R270 IonicContact OD1-NH2 3.91Å; D17-R270 PolarHBondContact OD1-NH2 3.21Å; D17-R270 IonicContact OD2-CZ 2.67Å; D17-R270 IonicContact OD2-NH1 2.68Å; D17-R270 PolarHBondContact OD2-NH1 2.98Å; D17-R270 IonicContact OD2-NH2 3.55Å; D17-R270 PolarHBondContact OD2-NH2 3.29Å; L266-R270 WeakPolarHBondContact O-CB 3.47Å; L266-R270 WeakPolarHBondContact O-CG 3.02Å; L266-R270 PolarHBondContact O-N 2.85Å; Y267-R270 PolarHBondContact O-N 2.98Å; I268-R270 VanDerWaalsContact C-N 3.34Å; I268-R270 PolarHBondContact O-N 2.92Å
271F79.1Confident79.6Confident104 Ų10452.8 Ų52.846%0.45627%0.267SS..Hα-helixtrans-119.6-14.3-166.1-60.2-73.1000114.3Y267 S342 S348Y267-F271 HydrophobicContact CD2-CB 4.09Å; Y267-F271 AromaticContact CD2-CD2 3.47Å; Y267-F271 HydrophobicContact CD2-CD2 3.47Å; Y267-F271 VanDerWaalsContact CD2-CD2 3.47Å; Y267-F271 HydrophobicContact CD2-CE2 4.27Å; Y267-F271 HydrophobicContact CD2-CG 4.12Å; Y267-F271 HydrophobicContact CE2-CB 3.67Å; Y267-F271 AromaticContact CE2-CD2 3.76Å; Y267-F271 HydrophobicContact CE2-CD2 3.76Å; Y267-F271 AromaticContact CE2-CG 3.94Å; Y267-F271 HydrophobicContact CE2-CG 3.94Å; Y267-F271 HydrophobicContact CG-CD2 4.28Å; Y267-F271 PolarHBondContact O-N 2.97Å; F271-S342 PolarHBondContact O-OG 3.44Å; F271-S348 WeakPolarHBondContact O-CB 3.42Å; F271-S348 PolarHBondContact O-N 2.87Å
272V77Confident79.7Confident8 Ų852.6 Ų52.65%0.04827%0.265CS..BIsolated β-bridgetrans-91.2129177.5-179.60000109.2Y267 I268 R274 M353Y267-V272 HydrophobicContact CD1-CG2 4.22Å; Y267-V272 HydrophobicContact CE1-CG2 3.81Å; I268-V272 HydrophobicContact CB-CG2 4.26Å; I268-V272 HydrophobicContact CG1-CG2 4.2Å; I268-V272 HydrophobicContact CG2-CB 4.16Å; I268-V272 HydrophobicContact CG2-CG2 4.31Å; I268-V272 WeakPolarHBondContact O-CB 3.48Å; I268-V272 PolarHBondContact O-N 3.24Å; V272-R274 PolarHBondContact O-N 3.04Å; V272-M353 HydrophobicContact CG2-CE 3.91Å
273N73.9Confident79.7Confident64 Ų6452.6 Ų52.634%0.34227%0.265SS..  trans-71.5115.8167.3-173.7-10.7000108.4D275 H347N273-D275 WeakPolarHBondContact OD1-CB 3.37Å; N273-D275 PolarHBondContact OD1-N 3.35Å; N273-D275 PolarHBondContact OD1-OD2 3.37Å; N273-H347 HydrophobicContact CB-CB 3.91Å
274R78.2Confident79.7Confident51 Ų5151.8 Ų51.819%0.19226%0.259CS..  trans-960.8-174.9-67.1171.7-70.5170.3-15.9112.8D269 V272 M276 V281 T283D269-R274 PolarHBondContact O-NH2 2.96Å; D269-R274 IonicContact OD1-CZ 3.19Å; D269-R274 IonicContact OD1-NH1 2.74Å; D269-R274 PolarHBondContact OD1-NH1 3.43Å; D269-R274 IonicContact OD1-NH2 3.02Å; D269-R274 PolarHBondContact OD1-NH2 3.06Å; V272-R274 PolarHBondContact O-N 3.04Å; R274-M276 PolarHBondContact O-N 3.45Å; R274-M276 VanDerWaalsContact O-N 3.14Å; R274-V281 WeakPolarHBondContact CB-O 3.35Å; R274-V281 WeakPolarHBondContact CD-O 3.48Å; R274-V281 WeakPolarHBondContact O-CG2 3.4Å; R274-V281 PolarHBondContact O-N 3.31Å; R274-T283 VanDerWaalsContact NH1-CG2 3.27Å
275D72.1Confident79.8Confident91 Ų9153 Ų5349%0.48727%0.265SS..EExtended strand (participates in β ladder)trans-72.7105.7178.8-68.6-34000110.5N273 T280N273-D275 WeakPolarHBondContact OD1-CB 3.37Å; N273-D275 PolarHBondContact OD1-N 3.35Å; N273-D275 PolarHBondContact OD1-OD2 3.37Å; D275-T280 WeakPolarHBondContact OD1-CG2 3.39Å
276M66.5Low79.9Confident86 Ų8653.3 Ų53.342%0.42427%0.266SS..EExtended strand (participates in β ladder)trans-105.6114.2166.2-69.9-153.7-62.400108.6R274 G278 Y279 V281 L350R274-M276 PolarHBondContact O-N 3.45Å; R274-M276 VanDerWaalsContact O-N 3.14Å; M276-G278 PolarHBondContact O-N 2.95Å; M276-G278 VanDerWaalsContact O-N 3.12Å; M276-Y279 PolarHBondContact N-O 2.8Å; M276-Y279 PolarHBondContact O-N 3.17Å; M276-V281 HydrophobicContact CB-CG2 3.95Å; M276-V281 HydrophobicContact CE-CG2 3.32Å; M276-V281 HydrophobicContact CG-CG2 3.76Å; M276-V281 HydrophobicContact SD-CG2 4.27Å; M276-L350 HydrophobicContact CG-CD1 3.66Å; M276-L350 HydrophobicContact CG-CD2 4.48Å; M276-L350 HydrophobicContact SD-CD1 4.01Å; M276-L350 HydrophobicContact SD-CD2 3.82Å
277F66.7Low80Confident226 Ų22655 Ų5599%0.99127%0.274SS*.THydrogen-bonded Turntrans53.932.9175.9-59.7-83.4000114.3
278G69.2Low80.3Confident78 Ų7853.1 Ų53.180%0.80427%0.268SS*.THydrogen-bonded Turntrans86.42.7-17900000115.2M276M276-G278 PolarHBondContact O-N 2.95Å; M276-G278 VanDerWaalsContact O-N 3.12Å
279Y72.8Confident80.6Confident98 Ų9854.3 Ų54.338%0.38427%0.274SS..EExtended strand (participates in β ladder)trans-109.8124.9171.5-175.7-98.1000110.6Y133 M276 V281Y133-Y279 WeakPolarHBondContact CD2-OH 3.32Å; Y133-Y279 HydrophobicContact CE2-CE2 4.47Å; Y133-Y279 VanDerWaalsContact CE2-OH 3.25Å; Y133-Y279 WeakPolarHBondContact CE2-OH 3.23Å; M276-Y279 PolarHBondContact N-O 2.8Å; M276-Y279 PolarHBondContact O-N 3.17Å; Y279-V281 PolarHBondContact O-N 2.9Å
280T79.1Confident80.8Confident60 Ų6055.3 Ų55.337%0.36828%0.279SS..EExtended strand (participates in β ladder)trans-72.3108.5174.143.60000109.6D275 P282D275-T280 WeakPolarHBondContact OD1-CG2 3.39Å; T280-P282 VanDerWaalsContact O-CD 3.26Å; T280-P282 WeakPolarHBondContact O-CD 3.42Å
281V84.2Confident81.2Confident16 Ų1649.9 Ų49.910%0.09726%0.26CS..  trans-69.6122.1178.6-178.70000109.8R274 M276 Y279 T283 M285 F286R274-V281 WeakPolarHBondContact CB-O 3.35Å; R274-V281 WeakPolarHBondContact CD-O 3.48Å; R274-V281 WeakPolarHBondContact O-CG2 3.4Å; R274-V281 PolarHBondContact O-N 3.31Å; M276-V281 HydrophobicContact CB-CG2 3.95Å; M276-V281 HydrophobicContact CE-CG2 3.32Å; M276-V281 HydrophobicContact CG-CG2 3.76Å; M276-V281 HydrophobicContact SD-CG2 4.27Å; Y279-V281 PolarHBondContact O-N 2.9Å; V281-T283 PolarHBondContact O-N 3.39Å; V281-M285 HydrophobicContact CG1-CB 4.32Å; V281-M285 HydrophobicContact CG1-SD 4.21Å; V281-F286 HydrophobicContact CB-CE2 4.49Å; V281-F286 HydrophobicContact CG1-CE2 3.99Å
282P85.7Confident81.8Confident0 Ų050.1 Ų50.10%026%0.26CS..  trans-62.2138.1178.7-24.635.2000112E136 T280 A284 M285E136-P282 HydrophobicContact CB-CG 3.98Å; E136-P282 HydrophobicContact CG-CG 4.32Å; T280-P282 VanDerWaalsContact O-CD 3.26Å; T280-P282 WeakPolarHBondContact O-CD 3.42Å; P282-A284 PolarHBondContact O-N 3.18Å; P282-M285 HydrophobicContact CB-CG 4.1Å; P282-M285 HydrophobicContact CG-CE 3.86Å; P282-M285 HydrophobicContact CG-CG 4.39Å; P282-M285 HydrophobicContact CG-SD 4.47Å; P282-M285 VanDerWaalsContact O-CB 3.3Å; P282-M285 WeakPolarHBondContact O-CB 3.39Å; P282-M285 WeakPolarHBondContact O-CG 3.36Å; P282-M285 PolarHBondContact O-N 3.32Å
283T86.7Confident82.5Confident3 Ų349.9 Ų49.92%0.01826%0.259CS..G310 helixtrans-59.4-35-179.1370000113L7 I268 D269 R274 V281 M285 F286L7-T283 WeakPolarHBondContact CD1-OG1 3.48Å; I268-T283 HydrophobicContact CB-CG2 4.32Å; I268-T283 HydrophobicContact CG2-CG2 3.88Å; D269-T283 VanDerWaalsContact CA-CG2 3.4Å; D269-T283 HydrophobicContact CB-CG2 3.62Å; D269-T283 WeakPolarHBondContact OD1-CG2 3.47Å; R274-T283 VanDerWaalsContact NH1-CG2 3.27Å; V281-T283 PolarHBondContact O-N 3.39Å; T283-M285 PolarHBondContact O-N 3.21Å; T283-F286 WeakPolarHBondContact O-CB 3.36Å; T283-F286 PolarHBondContact O-N 3.41Å; T283-F286 VanDerWaalsContact O-N 3.09Å
284A86.8Confident83.2Confident0 Ų046.9 Ų46.90%024%0.243CC..G310 helixtrans-56.9-31.7175.500000112.6A3 L4 P128 P282 F286 Q287A3-A284 HydrophobicContact CB-CB 3.94Å; L4-A284 HydrophobicContact CD2-CB 3.88Å; P128-A284 WeakPolarHBondContact CB-O 3.33Å; P282-A284 PolarHBondContact O-N 3.18Å; A284-F286 PolarHBondContact O-N 2.97Å; A284-Q287 WeakPolarHBondContact O-CB 3.46Å; A284-Q287 PolarHBondContact O-N 3.5Å
285M88.4Confident83.8Confident37 Ų3747.7 Ų47.718%0.18225%0.25CS..G310 helixtrans-64.5-26.1179.7-56.7-159.1171.900112.7I129 Y133 V281 P282 T283 Q287 S288I129-M285 HydrophobicContact CG1-CB 4.49Å; I129-M285 HydrophobicContact CG1-CG 4.46Å; I129-M285 HydrophobicContact CG2-CE 4.03Å; I129-M285 HydrophobicContact CG2-SD 4.3Å; Y133-M285 HydrophobicContact CD2-CE 4.34Å; V281-M285 HydrophobicContact CG1-CB 4.32Å; V281-M285 HydrophobicContact CG1-SD 4.21Å; P282-M285 HydrophobicContact CB-CG 4.1Å; P282-M285 HydrophobicContact CG-CE 3.86Å; P282-M285 HydrophobicContact CG-CG 4.39Å; P282-M285 HydrophobicContact CG-SD 4.47Å; P282-M285 VanDerWaalsContact O-CB 3.3Å; P282-M285 WeakPolarHBondContact O-CB 3.39Å; P282-M285 WeakPolarHBondContact O-CG 3.36Å; P282-M285 PolarHBondContact O-N 3.32Å; T283-M285 PolarHBondContact O-N 3.21Å; M285-Q287 PolarHBondContact O-N 3.37Å; M285-S288 VanDerWaalsContact O-CB 3.27Å; M285-S288 WeakPolarHBondContact O-CB 3.29Å; M285-S288 PolarHBondContact O-N 2.95Å
286F89.2Confident84.7Confident8 Ų847.2 Ų47.24%0.03525%0.247CC..Hα-helixtrans-65.9-23.1178.7-72.9-99.1000112.4I268 V281 T283 A284 S288 I289 L350 M353 V354 L357I268-F286 HydrophobicContact CD1-CB 3.95Å; I268-F286 HydrophobicContact CD1-CD1 4.07Å; I268-F286 HydrophobicContact CD1-CG 3.99Å; I268-F286 HydrophobicContact CG2-CD1 4.38Å; I268-F286 HydrophobicContact CG2-CD2 3.83Å; I268-F286 HydrophobicContact CG2-CE1 4.33Å; I268-F286 HydrophobicContact CG2-CE2 3.76Å; I268-F286 HydrophobicContact CG2-CG 4.14Å; I268-F286 HydrophobicContact CG2-CZ 4.02Å; V281-F286 HydrophobicContact CB-CE2 4.49Å; V281-F286 HydrophobicContact CG1-CE2 3.99Å; T283-F286 WeakPolarHBondContact O-CB 3.36Å; T283-F286 PolarHBondContact O-N 3.41Å; T283-F286 VanDerWaalsContact O-N 3.09Å; A284-F286 PolarHBondContact O-N 2.97Å; F286-S288 PolarHBondContact O-N 2.89Å; F286-I289 HydrophobicContact CB-CD1 4.08Å; F286-I289 HydrophobicContact CD1-CD1 3.52Å; F286-I289 HydrophobicContact CE1-CD1 4.3Å; F286-I289 HydrophobicContact CG-CD1 4.08Å; F286-I289 VanDerWaalsContact O-CB 3.3Å; F286-I289 WeakPolarHBondContact O-CB 3.37Å; F286-I289 PolarHBondContact O-N 2.88Å; F286-L350 HydrophobicContact CE1-CG 4.28Å; F286-L350 HydrophobicContact CZ-CD1 4.03Å; F286-L350 HydrophobicContact CZ-CG 4.06Å; F286-M353 HydrophobicContact CD1-CG 4.1Å; F286-M353 HydrophobicContact CE1-CG 4.03Å; F286-V354 HydrophobicContact CD1-CG2 4.46Å; F286-V354 HydrophobicContact CE1-CG2 4.01Å; F286-L357 HydrophobicContact CB-CD1 3.96Å; F286-L357 HydrophobicContact CD1-CD1 3.97Å; F286-L357 HydrophobicContact CG-CD1 4.46Å
287Q87.8Confident85.7Confident38 Ų3843.5 Ų43.518%0.17823%0.23CC..Hα-helixtrans-64.3-28.5172-64-59.4-38.400112.6A3 P128 G260 A284 M285 I289 N290A3-Q287 HydrophobicContact CB-CB 4.11Å; A3-Q287 HydrophobicContact CB-CG 3.59Å; P128-Q287 HydrophobicContact CB-CB 4.15Å; P128-Q287 HydrophobicContact CG-CB 4.13Å; G260-Q287 PolarHBondContact O-NE2 2.67Å; A284-Q287 WeakPolarHBondContact O-CB 3.46Å; A284-Q287 PolarHBondContact O-N 3.5Å; M285-Q287 PolarHBondContact O-N 3.37Å; Q287-I289 PolarHBondContact O-N 3.22Å; Q287-N290 PolarHBondContact O-N 2.93Å
288S91Very high86.6Confident7 Ų734 Ų345%0.04920%0.195CC..Hα-helixtrans-69.5-22.6178-59.80000112.4I125 P128 M285 F286 N290 A291 F292I125-S288 WeakPolarHBondContact O-CB 3.36Å; I125-S288 PolarHBondContact O-OG 3.27Å; P128-S288 WeakPolarHBondContact CB-OG 3.43Å; P128-S288 WeakPolarHBondContact CG-OG 3.35Å; M285-S288 VanDerWaalsContact O-CB 3.27Å; M285-S288 WeakPolarHBondContact O-CB 3.29Å; M285-S288 PolarHBondContact O-N 2.95Å; F286-S288 PolarHBondContact O-N 2.89Å; S288-N290 VanDerWaalsContact C-N 3.31Å; S288-N290 PolarHBondContact O-N 3.33Å; S288-A291 PolarHBondContact O-N 2.98Å; S288-F292 WeakPolarHBondContact O-CB 3.31Å; S288-F292 PolarHBondContact O-N 2.84Å
289I91.3Very high87.5Confident28 Ų2834.2 Ų34.214%0.14418%0.181CC..Hα-helixtrans-61.9-42.1177-61166.5000110.3F286 Q287 F292 A293 V354 L357 A358F286-I289 HydrophobicContact CB-CD1 4.08Å; F286-I289 HydrophobicContact CD1-CD1 3.52Å; F286-I289 HydrophobicContact CE1-CD1 4.3Å; F286-I289 HydrophobicContact CG-CD1 4.08Å; F286-I289 VanDerWaalsContact O-CB 3.3Å; F286-I289 WeakPolarHBondContact O-CB 3.37Å; F286-I289 PolarHBondContact O-N 2.88Å; Q287-I289 PolarHBondContact O-N 3.22Å; I289-F292 PolarHBondContact O-N 2.94Å; I289-A293 VanDerWaalsContact O-CB 3.24Å; I289-A293 WeakPolarHBondContact O-CB 3.49Å; I289-A293 PolarHBondContact O-N 2.87Å; I289-V354 HydrophobicContact CD1-CB 4.21Å; I289-V354 HydrophobicContact CD1-CG1 4.08Å; I289-V354 HydrophobicContact CD1-CG2 3.8Å; I289-V354 HydrophobicContact CG2-CG1 4.33Å; I289-L357 HydrophobicContact CB-CB 4.41Å; I289-L357 HydrophobicContact CD1-CD1 4.03Å; I289-L357 HydrophobicContact CG2-CB 3.94Å; I289-A358 HydrophobicContact CG2-CB 4.09Å
290N88.5Confident88.1Confident42 Ų4235.2 Ų35.223%0.22519%0.188CC..Hα-helixtrans-59.4-56.2177.4178.4-34.7000110Q287 S288 F292 A293 V294 E364Q287-N290 PolarHBondContact O-N 2.93Å; S288-N290 VanDerWaalsContact C-N 3.31Å; S288-N290 PolarHBondContact O-N 3.33Å; N290-F292 VanDerWaalsContact C-N 3.27Å; N290-F292 PolarHBondContact O-N 3.21Å; N290-A293 WeakPolarHBondContact O-CB 3.3Å; N290-A293 PolarHBondContact O-N 3.13Å; N290-V294 WeakPolarHBondContact O-CG2 3.08Å; N290-V294 PolarHBondContact O-N 3.31Å; N290-V294 VanDerWaalsContact OD1-CG2 3.32Å; N290-V294 WeakPolarHBondContact OD1-CG2 3.5Å; N290-E364 PolarHBondContact OD1-OE2 2.83Å
291A90.6Very high88.3Confident3 Ų334.3 Ų34.33%0.02518%0.18CC..Hα-helixtrans-60-37.6-178.300000112.6I125 S288 M295I125-A291 HydrophobicContact CG1-CB 3.67Å; S288-A291 PolarHBondContact O-N 2.98Å; A291-M295 WeakPolarHBondContact O-CB 3.49Å; A291-M295 PolarHBondContact O-N 3.38Å
292F92.2Very high88Confident108 Ų10837 Ų3747%0.47420%0.204SC..Hα-helixtrans-64.3-45.3173.9-174.7-96.4000111.9I125 S288 I289 N290 M295 L296I125-F292 HydrophobicContact CD1-CB 4.29Å; I125-F292 HydrophobicContact CD1-CD2 4.37Å; I125-F292 HydrophobicContact CG1-CB 4.38Å; S288-F292 WeakPolarHBondContact O-CB 3.31Å; S288-F292 PolarHBondContact O-N 2.84Å; I289-F292 PolarHBondContact O-N 2.94Å; N290-F292 VanDerWaalsContact C-N 3.27Å; N290-F292 PolarHBondContact O-N 3.21Å; F292-M295 HydrophobicContact CD2-CE 4.47Å; F292-M295 PolarHBondContact O-N 3.32Å; F292-L296 HydrophobicContact CE1-CD1 3.78Å; F292-L296 HydrophobicContact CZ-CD1 4.25Å; F292-L296 WeakPolarHBondContact O-CB 3.38Å; F292-L296 PolarHBondContact O-N 3.36Å
293A91.9Very high87.7Confident3 Ų347 Ų473%0.02524%0.242CC..Hα-helixtrans-63.8-45.5178.100000111.8I289 N290 M295 L296 C297 A358 F362I289-A293 VanDerWaalsContact O-CB 3.24Å; I289-A293 WeakPolarHBondContact O-CB 3.49Å; I289-A293 PolarHBondContact O-N 2.87Å; N290-A293 WeakPolarHBondContact O-CB 3.3Å; N290-A293 PolarHBondContact O-N 3.13Å; A293-M295 VanDerWaalsContact C-N 3.29Å; A293-M295 PolarHBondContact O-N 3.3Å; A293-L296 PolarHBondContact O-N 2.85Å; A293-C297 WeakPolarHBondContact O-CB 3.31Å; A293-C297 PolarHBondContact O-N 3.21Å; A293-A358 HydrophobicContact CB-CB 4.12Å; A293-A358 WeakPolarHBondContact CB-O 3.29Å; A293-F362 HydrophobicContact CB-CD1 3.76Å; A293-F362 HydrophobicContact CB-CE1 3.71Å; A293-F362 WeakPolarHBondContact O-CD1 3.32Å; A293-F362 WeakPolarHBondContact O-CE1 3.35Å
294V89.6Confident87.1Confident2 Ų250.7 Ų50.71%0.01227%0.265CS..Hα-helixtrans-55.6-46.9174.6172.40000110.6N290 G298 G361 E364N290-V294 WeakPolarHBondContact O-CG2 3.08Å; N290-V294 PolarHBondContact O-N 3.31Å; N290-V294 VanDerWaalsContact OD1-CG2 3.32Å; N290-V294 WeakPolarHBondContact OD1-CG2 3.5Å; V294-G298 PolarHBondContact O-N 3.43Å; V294-G361 VanDerWaalsContact CG2-O 3.23Å; V294-G361 WeakPolarHBondContact CG2-O 3.28Å; V294-E364 HydrophobicContact CG2-CB 4.15Å
295M89.3Confident86.3Confident67 Ų6755 Ų5533%0.3329%0.29SS..Hα-helixtrans-66-44.5179.8-170.5173.768.700112.2V122 I125 A291 F292 A293 G298 V299V122-M295 HydrophobicContact CG2-SD 4.23Å; I125-M295 HydrophobicContact CD1-CE 3.74Å; I125-M295 HydrophobicContact CD1-SD 4.34Å; A291-M295 WeakPolarHBondContact O-CB 3.49Å; A291-M295 PolarHBondContact O-N 3.38Å; F292-M295 HydrophobicContact CD2-CE 4.47Å; F292-M295 PolarHBondContact O-N 3.32Å; A293-M295 VanDerWaalsContact C-N 3.29Å; A293-M295 PolarHBondContact O-N 3.3Å; M295-G298 PolarHBondContact O-N 3.26Å; M295-V299 WeakPolarHBondContact O-CG2 3.48Å; M295-V299 PolarHBondContact O-N 2.88Å
296L90.6Very high84.6Confident81 Ų8162.1 Ų62.142%0.42432%0.32SS..Hα-helixtrans-62.1-44.9178-170.8152.9000111.1F292 A293 G298 V299 F300 F362F292-L296 HydrophobicContact CE1-CD1 3.78Å; F292-L296 HydrophobicContact CZ-CD1 4.25Å; F292-L296 WeakPolarHBondContact O-CB 3.38Å; F292-L296 PolarHBondContact O-N 3.36Å; A293-L296 PolarHBondContact O-N 2.85Å; L296-G298 VanDerWaalsContact C-N 3.29Å; L296-G298 PolarHBondContact O-N 3.42Å; L296-V299 PolarHBondContact O-N 3.17Å; L296-F300 WeakPolarHBondContact O-CB 3.29Å; L296-F300 PolarHBondContact O-N 3.26Å; L296-F362 HydrophobicContact CB-CE1 4.43Å; L296-F362 HydrophobicContact CD2-CE1 4.08Å; L296-F362 HydrophobicContact CD2-CZ 3.98Å
297C88.6Confident82.8Confident9 Ų969.2 Ų69.26%0.06135%0.354CS..Hα-helixtrans-62.9-38.8175.2-162.80000111.4A293 F300 L301 F362 L365A293-C297 WeakPolarHBondContact O-CB 3.31Å; A293-C297 PolarHBondContact O-N 3.21Å; C297-F300 PolarHBondContact O-N 2.9Å; C297-L301 WeakPolarHBondContact O-CB 3.48Å; C297-L301 WeakPolarHBondContact O-CG 3.4Å; C297-L301 PolarHBondContact O-N 2.98Å; C297-F362 HydrophobicContact CB-CB 4.46Å; C297-F362 HydrophobicContact CB-CD1 3.48Å; C297-F362 VanDerWaalsContact CB-CD1 3.48Å; C297-F362 HydrophobicContact CB-CE1 3.94Å; C297-F362 HydrophobicContact CB-CG 4.19Å; C297-L365 HydrophobicContact CB-CD2 3.85Å
298G86.1Confident80.6Confident26 Ų2672.1 Ų72.127%0.26838%0.378SS..Hα-helixtrans-56.7-50174.400000112.3V294 M295 L296 A302V294-G298 PolarHBondContact O-N 3.43Å; M295-G298 PolarHBondContact O-N 3.26Å; L296-G298 VanDerWaalsContact C-N 3.29Å; L296-G298 PolarHBondContact O-N 3.42Å; G298-A302 WeakPolarHBondContact O-CB 3.31Å; G298-A302 PolarHBondContact O-N 2.82Å
299V86.8Confident78.8Confident83 Ų8377.8 Ų77.850%0.50341%0.412SS..Hα-helixtrans-63.8-45.3177175.80000111M295 L296 A302 W303M295-V299 WeakPolarHBondContact O-CG2 3.48Å; M295-V299 PolarHBondContact O-N 2.88Å; L296-V299 PolarHBondContact O-N 3.17Å; V299-A302 PolarHBondContact O-N 3.05Å; V299-W303 VanDerWaalsContact O-CD1 3.32Å; V299-W303 PolarHBondContact O-N 3.35Å
300F86.5Confident76.6Confident119 Ų11981.1 Ų81.152%0.52244%0.444SS..Hα-helixtrans-60.4-48.3178.9178.5-99.9000112.1L296 C297 A302 W303 V304L296-F300 WeakPolarHBondContact O-CB 3.29Å; L296-F300 PolarHBondContact O-N 3.26Å; C297-F300 PolarHBondContact O-N 2.9Å; F300-A302 VanDerWaalsContact C-N 3.32Å; F300-A302 PolarHBondContact O-N 3.23Å; F300-W303 PolarHBondContact O-N 3.39Å; F300-V304 HydrophobicContact CD1-CG2 4.32Å; F300-V304 HydrophobicContact CD2-CG2 4.07Å; F300-V304 HydrophobicContact CE1-CG2 3.96Å; F300-V304 HydrophobicContact CE2-CG2 3.68Å; F300-V304 HydrophobicContact CG-CG2 4.38Å; F300-V304 HydrophobicContact CZ-CG2 3.64Å; F300-V304 WeakPolarHBondContact O-CB 3.36Å; F300-V304 WeakPolarHBondContact O-CG2 3.41Å; F300-V304 PolarHBondContact O-N 2.92Å
301L81.7Confident75.2Confident41 Ų4181.8 Ų81.822%0.21546%0.46CS..Hα-helixtrans-64.5-36176.5-71.5-173.2000112C297 W303 V305 L365 F366C297-L301 WeakPolarHBondContact O-CB 3.48Å; C297-L301 WeakPolarHBondContact O-CG 3.4Å; C297-L301 PolarHBondContact O-N 2.98Å; L301-W303 VanDerWaalsContact C-N 3.25Å; L301-W303 PolarHBondContact O-N 3.3Å; L301-V305 HydrophobicContact CB-CG2 4.28Å; L301-V305 HydrophobicContact CD2-CG2 3.93Å; L301-V305 WeakPolarHBondContact O-CA 3.42Å; L301-V305 WeakPolarHBondContact O-CB 3.46Å; L301-V305 VanDerWaalsContact O-CG2 3.29Å; L301-V305 WeakPolarHBondContact O-CG2 3.42Å; L301-V305 PolarHBondContact O-N 3.47Å; L301-L365 HydrophobicContact CD1-CD2 3.5Å; L301-L365 VanDerWaalsContact CD1-CD2 3.5Å; L301-L365 HydrophobicContact CD1-CG 4.12Å; L301-L365 HydrophobicContact CG-CD2 4.23Å; L301-F366 HydrophobicContact CD1-CE1 3.79Å; L301-F366 HydrophobicContact CD1-CZ 3.8Å; L301-F366 HydrophobicContact CD2-CE1 4.22Å; L301-F366 HydrophobicContact CD2-CZ 4.07Å; L301-F366 HydrophobicContact CG-CZ 4.41Å
302A79.3Confident74.1Confident73 Ų7387.1 Ų87.160%0.60349%0.489SS*.Hα-helixtrans-63.6-32.6175.400000112.5G298 V299 F300G298-A302 WeakPolarHBondContact O-CB 3.31Å; G298-A302 PolarHBondContact O-N 2.82Å; V299-A302 PolarHBondContact O-N 3.05Å; F300-A302 VanDerWaalsContact C-N 3.32Å; F300-A302 PolarHBondContact O-N 3.23Å
303W78Confident73.2Confident208 Ų20886.3 Ų86.379%0.78848%0.483SS*.Hα-helixtrans-78.9-45.6176.6-84.751.4000112.8V299 F300 L301V299-W303 VanDerWaalsContact O-CD1 3.32Å; V299-W303 PolarHBondContact O-N 3.35Å; F300-W303 PolarHBondContact O-N 3.39Å; L301-W303 VanDerWaalsContact C-N 3.25Å; L301-W303 PolarHBondContact O-N 3.3Å
304V75.7Confident72.2Confident82 Ų8288.9 Ų88.950%0.49750%0.498SS..Hα-helixtrans-80.4-37.7-172.9174.50000112.1F300 K306F300-V304 HydrophobicContact CD1-CG2 4.32Å; F300-V304 HydrophobicContact CD2-CG2 4.07Å; F300-V304 HydrophobicContact CE1-CG2 3.96Å; F300-V304 HydrophobicContact CE2-CG2 3.68Å; F300-V304 HydrophobicContact CG-CG2 4.38Å; F300-V304 HydrophobicContact CZ-CG2 3.64Å; F300-V304 WeakPolarHBondContact O-CB 3.36Å; F300-V304 WeakPolarHBondContact O-CG2 3.41Å; F300-V304 PolarHBondContact O-N 2.92Å; V304-K306 PolarHBondContact O-N 3.24Å
305V68.6Low71.6Confident89 Ų8993.4 Ų93.454%0.53953%0.525SS..  trans-84.937.9-174.5-168.50000111.6L301 E307L301-V305 HydrophobicContact CB-CG2 4.28Å; L301-V305 HydrophobicContact CD2-CG2 3.93Å; L301-V305 WeakPolarHBondContact O-CA 3.42Å; L301-V305 WeakPolarHBondContact O-CB 3.46Å; L301-V305 VanDerWaalsContact O-CG2 3.29Å; L301-V305 WeakPolarHBondContact O-CG2 3.42Å; L301-V305 PolarHBondContact O-N 3.47Å; V305-E307 PolarHBondContact O-N 2.98Å; V305-E307 VanDerWaalsContact O-N 3.08Å
306K52.6Low71.2Confident187 Ų18795.2 Ų95.281%0.81353%0.529SS*.  trans-64.2-7.2169.6-96-177.8175.3178.50113.3V304V304-K306 PolarHBondContact O-N 3.24Å
307E52Low70.9Confident158 Ų15892.1 Ų92.174%0.73851%0.512SS*.  trans-100121.7-165.6-127.392.5-148.400116.1V305V305-E307 PolarHBondContact O-N 2.98Å; V305-E307 VanDerWaalsContact O-N 3.08Å
308S41.8Very low70.7Confident98 Ų9896.9 Ų96.969%0.68553%0.529SS*.  trans44.9115.8135.6-72.20000121.5A310S308-A310 PolarHBondContact O-N 3.01Å
309V53.6Low70.8Confident127 Ų12797.2 Ų97.277%0.7753%0.533SS*.  trans-69.27.4180175.60000114.6G311V309-G311 PolarHBondContact O-N 3.1Å; V309-G311 VanDerWaalsContact O-N 3.13Å
310A45.3Very low70.8Confident98 Ų9897.2 Ų97.281%0.8153%0.526SS*.  trans-80.896.9-172.600000112.6S308S308-A310 PolarHBondContact O-N 3.01Å
311G58Low70.9Confident55 Ų5591.7 Ų91.757%0.56750%0.502SS*.SBendtrans170.4157.3171.100000114.4V309 R313V309-G311 PolarHBondContact O-N 3.1Å; V309-G311 VanDerWaalsContact O-N 3.13Å; G311-R313 PolarHBondContact O-N 3.01Å
312N68.1Low71.3Confident116 Ų11692.6 Ų92.662%0.6252%0.515SS*.  trans-63.6119.4179.5-160.34.1000110.3T314 V315 R316N312-T314 VanDerWaalsContact C-N 3.3Å; N312-T314 PolarHBondContact O-N 2.89Å; N312-V315 HydrophobicContact CB-CG2 4.17Å; N312-V315 PolarHBondContact O-N 3.31Å; N312-R316 PolarHBondContact O-N 3.11Å
313R72.3Confident71.9Confident91 Ų9194.1 Ų94.134%0.34351%0.512SS..Hα-helixtrans-58-41.1-167.8176.4177.8168-174.5-8.9112.6G311 R316 I317G311-R313 PolarHBondContact O-N 3.01Å; R313-R316 PolarHBondContact O-N 3.43Å; R313-I317 HydrophobicContact CG-CD1 3.86Å; R313-I317 WeakPolarHBondContact O-CD1 3.29Å; R313-I317 VanDerWaalsContact O-CG1 3.28Å; R313-I317 WeakPolarHBondContact O-CG1 3.43Å; R313-I317 PolarHBondContact O-N 3.38Å; R313-I317 VanDerWaalsContact O-N 3.11Å
314T72.6Confident72.6Confident57 Ų5784.2 Ų84.235%0.3548%0.475SS..Hα-helixtrans-62.8-47.4-179.646.90000111.3L242 N312 R316 I317 W318L242-T314 HydrophobicContact CD1-CG2 4.33Å; N312-T314 VanDerWaalsContact C-N 3.3Å; N312-T314 PolarHBondContact O-N 2.89Å; T314-R316 VanDerWaalsContact C-N 3.29Å; T314-R316 PolarHBondContact O-N 2.95Å; T314-I317 PolarHBondContact O-N 3.42Å; T314-I317 VanDerWaalsContact O-N 3.15Å; T314-W318 PolarHBondContact O-N 2.71Å
315V75.4Confident73.4Confident97 Ų9782.9 Ų82.959%0.58847%0.465SS*.Hα-helixtrans-60.4-40.5178.8-1800000111N312 I317 W318 G319N312-V315 HydrophobicContact CB-CG2 4.17Å; N312-V315 PolarHBondContact O-N 3.31Å; V315-I317 PolarHBondContact O-N 2.78Å; V315-W318 PolarHBondContact O-N 3.11Å; V315-G319 PolarHBondContact O-N 3.46Å
316R81.6Confident74.7Confident105 Ų10580.6 Ų80.640%0.39646%0.459SS..Hα-helixtrans-65.2-39.1176.8-173173.765.5-169.7-2.4112.8N312 R313 T314 K320N312-R316 PolarHBondContact O-N 3.11Å; R313-R316 PolarHBondContact O-N 3.43Å; T314-R316 VanDerWaalsContact C-N 3.29Å; T314-R316 PolarHBondContact O-N 2.95Å; R316-K320 WeakPolarHBondContact O-CG 3.19Å; R316-K320 PolarHBondContact O-N 2.79Å
317I83.8Confident76.6Confident16 Ų1674 Ų748%0.08243%0.433CS..Hα-helixtrans-64.6-50.9177.6-67.3159.3000109.6L246 R313 T314 V315 G319 K320 F321 V370 Q374L246-I317 HydrophobicContact CD1-CG2 4.08Å; L246-I317 HydrophobicContact CD2-CG2 4.05Å; R313-I317 HydrophobicContact CG-CD1 3.86Å; R313-I317 WeakPolarHBondContact O-CD1 3.29Å; R313-I317 VanDerWaalsContact O-CG1 3.28Å; R313-I317 WeakPolarHBondContact O-CG1 3.43Å; R313-I317 PolarHBondContact O-N 3.38Å; R313-I317 VanDerWaalsContact O-N 3.11Å; T314-I317 PolarHBondContact O-N 3.42Å; T314-I317 VanDerWaalsContact O-N 3.15Å; V315-I317 PolarHBondContact O-N 2.78Å; I317-G319 VanDerWaalsContact C-N 3.32Å; I317-G319 PolarHBondContact O-N 3.17Å; I317-K320 PolarHBondContact O-N 3.03Å; I317-F321 PolarHBondContact O-N 3.45Å; I317-V370 HydrophobicContact CG2-CG1 3.93Å; I317-Q374 HydrophobicContact CD1-CG 4.03Å
318W85.8Confident78.6Confident108 Ų10866.9 Ų66.941%0.40940%0.399SS..Hα-helixtrans-60.1-41.5177.4-77.7110.4000112.3L242 T245 F249 T314 V315 K320 F321 A322L242-W318 HydrophobicContact CD2-CZ2 4.5Å; T245-W318 HydrophobicContact CG2-CH2 3.63Å; T245-W318 HydrophobicContact CG2-CZ2 4.21Å; F249-W318 HydrophobicContact CD2-CZ3 4.45Å; F249-W318 HydrophobicContact CE2-CH2 4.24Å; F249-W318 HydrophobicContact CE2-CZ3 4.15Å; T314-W318 PolarHBondContact O-N 2.71Å; V315-W318 PolarHBondContact O-N 3.11Å; W318-K320 PolarHBondContact O-N 2.97Å; W318-F321 PolarHBondContact O-N 2.86Å; W318-A322 VanDerWaalsContact O-CB 3.23Å; W318-A322 WeakPolarHBondContact O-CB 3.4Å; W318-A322 PolarHBondContact O-N 3.42Å
319G87Confident81.1Confident34 Ų3466.1 Ų66.135%0.35139%0.394SS..Hα-helixtrans-61.8-41.6176.400000113V315 I317 L323V315-G319 PolarHBondContact O-N 3.46Å; I317-G319 VanDerWaalsContact C-N 3.32Å; I317-G319 PolarHBondContact O-N 3.17Å; G319-L323 WeakPolarHBondContact O-CB 3.4Å; G319-L323 PolarHBondContact O-N 2.92Å
320K87.1Confident83.1Confident83 Ų8362 Ų6236%0.36137%0.374SS..Hα-helixtrans-65.9-44.4174.7-73-175.6178.1-162.10112R316 I317 W318 L323 G324 V370R316-K320 WeakPolarHBondContact O-CG 3.19Å; R316-K320 PolarHBondContact O-N 2.79Å; I317-K320 PolarHBondContact O-N 3.03Å; W318-K320 PolarHBondContact O-N 2.97Å; K320-L323 PolarHBondContact O-N 3.48Å; K320-G324 PolarHBondContact O-N 3.28Å; K320-V370 HydrophobicContact CB-CG2 4.22Å; K320-V370 HydrophobicContact CD-CG2 3.85Å
321F88.3Confident85.3Confident2 Ų257.4 Ų57.41%0.00934%0.335CS..Hα-helixtrans-64.8-41.5178.2-121.6-102.8000112.4L246 F249 S250 I317 W318 G324 L325 I367 V370 A371L246-F321 HydrophobicContact CB-CZ 4.36Å; L246-F321 HydrophobicContact CD2-CD1 4.25Å; L246-F321 HydrophobicContact CD2-CD2 3.77Å; L246-F321 HydrophobicContact CD2-CE1 4.25Å; L246-F321 HydrophobicContact CD2-CE2 3.77Å; L246-F321 HydrophobicContact CD2-CG 3.97Å; L246-F321 HydrophobicContact CD2-CZ 3.98Å; F249-F321 HydrophobicContact CB-CD1 3.91Å; F249-F321 HydrophobicContact CB-CE1 3.51Å; S250-F321 WeakPolarHBondContact OG-CZ 3.23Å; I317-F321 PolarHBondContact O-N 3.45Å; W318-F321 PolarHBondContact O-N 2.86Å; F321-G324 PolarHBondContact O-N 2.81Å; F321-L325 HydrophobicContact CD1-CD1 4.46Å; F321-L325 WeakPolarHBondContact O-CG 2.96Å; F321-L325 PolarHBondContact O-N 3.28Å; F321-I367 HydrophobicContact CB-CD1 4.46Å; F321-I367 HydrophobicContact CD1-CD1 3.62Å; F321-I367 HydrophobicContact CD2-CD1 3.93Å; F321-I367 HydrophobicContact CE1-CD1 3.73Å; F321-I367 HydrophobicContact CE1-CG2 4.22Å; F321-I367 HydrophobicContact CE2-CB 4.47Å; F321-I367 HydrophobicContact CE2-CD1 4.05Å; F321-I367 HydrophobicContact CE2-CG2 4.09Å; F321-I367 HydrophobicContact CG-CD1 3.75Å; F321-I367 HydrophobicContact CZ-CD1 3.99Å; F321-I367 HydrophobicContact CZ-CG2 3.71Å; F321-V370 HydrophobicContact CD2-CG1 4.27Å; F321-A371 HydrophobicContact CE2-CB 4.37Å
322A91.2Very high86.9Confident60 Ų6057.2 Ų57.250%0.49632%0.319SS..Hα-helixtrans-63.7-40.5175.300000111.6W318 G326W318-A322 VanDerWaalsContact O-CB 3.23Å; W318-A322 WeakPolarHBondContact O-CB 3.4Å; W318-A322 PolarHBondContact O-N 3.42Å; A322-G326 PolarHBondContact O-N 3.44Å
323L91.3Very high88.1Confident105 Ų10555 Ų5555%0.5531%0.311SS..Hα-helixtrans-61.9-44.7171.8-86.6169.5000111.8G319 K320 G326 L327G319-L323 WeakPolarHBondContact O-CB 3.4Å; G319-L323 PolarHBondContact O-N 2.92Å; K320-L323 PolarHBondContact O-N 3.48Å; L323-G326 PolarHBondContact O-N 2.9Å; L323-L327 WeakPolarHBondContact O-CB 3.35Å; L323-L327 VanDerWaalsContact O-CG 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.47Å; L323-L327 PolarHBondContact O-N 3.31Å
324G92.2Very high89Confident0 Ų052.1 Ų52.10%030%0.303CS..Hα-helixtrans-59.2-51175.800000112.3K320 F321 G326 L327 M328 A363K320-G324 PolarHBondContact O-N 3.28Å; F321-G324 PolarHBondContact O-N 2.81Å; G324-G326 VanDerWaalsContact C-N 3.33Å; G324-G326 PolarHBondContact O-N 3.11Å; G324-L327 PolarHBondContact O-N 2.98Å; G324-M328 PolarHBondContact O-N 3.39Å; G324-A363 WeakPolarHBondContact O-CB 3.3Å
325L92.8Very high89.8Confident55 Ų5550.1 Ų50.129%0.28829%0.29SS..Hα-helixtrans-64.4-37.2177.1-68.3173000112.5F249 F253 F321 M328 S329 I367F249-L325 HydrophobicContact CB-CD1 4.47Å; F249-L325 HydrophobicContact CD1-CD1 3.93Å; F249-L325 HydrophobicContact CG-CD1 4.43Å; F253-L325 HydrophobicContact CB-CD2 4.05Å; F253-L325 HydrophobicContact CD2-CD2 4.26Å; F321-L325 HydrophobicContact CD1-CD1 4.46Å; F321-L325 WeakPolarHBondContact O-CG 2.96Å; F321-L325 PolarHBondContact O-N 3.28Å; L325-M328 PolarHBondContact O-N 3.07Å; L325-S329 WeakPolarHBondContact O-CB 3.4Å; L325-S329 PolarHBondContact O-N 3.47Å; L325-I367 HydrophobicContact CG-CD1 4.46Å
326G94.9Very high90.3Very high40 Ų4049.2 Ų49.241%0.41228%0.284SS..Hα-helixtrans-64.8-43.2175.700000112.6A322 L323 G324 S329 A330A322-G326 PolarHBondContact O-N 3.44Å; L323-G326 PolarHBondContact O-N 2.9Å; G324-G326 VanDerWaalsContact C-N 3.33Å; G324-G326 PolarHBondContact O-N 3.11Å; G326-S329 PolarHBondContact O-N 3Å; G326-A330 WeakPolarHBondContact O-CB 3.32Å; G326-A330 PolarHBondContact O-N 3.18Å
327L94Very high90.5Very high50 Ų5048.7 Ų48.726%0.26229%0.289SS..Hα-helixtrans-64.3-42.4173.5-72.4173.3000111.2L323 G324 S329 A330 G331 V359 F362 A363 F366L323-L327 WeakPolarHBondContact O-CB 3.35Å; L323-L327 VanDerWaalsContact O-CG 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.47Å; L323-L327 PolarHBondContact O-N 3.31Å; G324-L327 PolarHBondContact O-N 2.98Å; L327-S329 VanDerWaalsContact C-N 3.34Å; L327-S329 PolarHBondContact O-N 3.38Å; L327-A330 PolarHBondContact O-N 3.44Å; L327-G331 PolarHBondContact O-N 2.93Å; L327-V359 HydrophobicContact CB-CG1 4.42Å; L327-V359 HydrophobicContact CD2-CG1 4.32Å; L327-V359 VanDerWaalsContact O-CG1 3.25Å; L327-V359 WeakPolarHBondContact O-CG1 3.34Å; L327-F362 HydrophobicContact CD1-CB 4.43Å; L327-A363 HydrophobicContact CB-CB 3.68Å; L327-F366 HydrophobicContact CD1-CD2 3.93Å; L327-F366 HydrophobicContact CD1-CE2 3.73Å
328M93.4Very high90.4Very high8 Ų848 Ų484%0.03929%0.285CS..Hα-helixtrans-58.5-46.8174.5-176.156.172.300111.3F253 F256 A257 G324 L325 A330 G331 F332 M360 A363F253-M328 HydrophobicContact CD2-CB 4.08Å; F253-M328 HydrophobicContact CD2-CE 3.85Å; F253-M328 HydrophobicContact CD2-CG 4.2Å; F253-M328 HydrophobicContact CE1-CE 4.16Å; F253-M328 HydrophobicContact CE2-CB 3.89Å; F253-M328 HydrophobicContact CE2-CE 3.19Å; F253-M328 HydrophobicContact CE2-CG 4.19Å; F253-M328 HydrophobicContact CZ-CE 3.34Å; F256-M328 HydrophobicContact CB-CG 4.42Å; A257-M328 HydrophobicContact CB-CE 3.62Å; G324-M328 PolarHBondContact O-N 3.39Å; L325-M328 PolarHBondContact O-N 3.07Å; M328-A330 VanDerWaalsContact C-N 3.33Å; M328-A330 PolarHBondContact O-N 3.37Å; M328-G331 PolarHBondContact O-N 2.86Å; M328-F332 HydrophobicContact CG-CD2 4.16Å; M328-F332 HydrophobicContact CG-CE2 4.17Å; M328-F332 WeakPolarHBondContact O-CD2 3.5Å; M328-F332 PolarHBondContact O-N 3.11Å; M328-F332 HydrophobicContact SD-CD2 3.86Å; M328-F332 HydrophobicContact SD-CE2 3.54Å; M328-F332 VanDerWaalsContact SD-CE2 3.54Å; M328-M360 HydrophobicContact CE-CB 4.24Å; M328-M360 HydrophobicContact CE-CE 4.32Å; M328-M360 HydrophobicContact CE-CG 4.46Å; M328-M360 HydrophobicContact SD-CB 4.19Å; M328-M360 HydrophobicContact SD-CE 3.69Å; M328-M360 HydrophobicContact SD-CG 3.77Å; M328-M360 HydrophobicContact SD-SD 4.44Å; M328-A363 HydrophobicContact CB-CB 4.24Å; M328-A363 HydrophobicContact CE-CB 4.4Å
329S94.4Very high90.2Very high81 Ų8144.6 Ų44.657%0.56628%0.28SS*.Hα-helixtrans-61.6-39.7175.5-174.20000112.4L325 G326 L327 F332 C333L325-S329 WeakPolarHBondContact O-CB 3.4Å; L325-S329 PolarHBondContact O-N 3.47Å; G326-S329 PolarHBondContact O-N 3Å; L327-S329 VanDerWaalsContact C-N 3.34Å; L327-S329 PolarHBondContact O-N 3.38Å; S329-F332 PolarHBondContact O-N 2.75Å; S329-C333 WeakPolarHBondContact O-CB 3.24Å; S329-C333 PolarHBondContact O-N 3.27Å
330A94.7Very high89.9Confident42 Ų4251.9 Ų51.935%0.34730%0.297SS..Hα-helixtrans-65.1-40.4175.600000111.4G326 L327 M328 C333 I334 V359G326-A330 WeakPolarHBondContact O-CB 3.32Å; G326-A330 PolarHBondContact O-N 3.18Å; L327-A330 PolarHBondContact O-N 3.44Å; M328-A330 VanDerWaalsContact C-N 3.33Å; M328-A330 PolarHBondContact O-N 3.37Å; A330-C333 WeakPolarHBondContact O-CB 3.44Å; A330-C333 PolarHBondContact O-N 2.97Å; A330-I334 WeakPolarHBondContact O-CG1 3.47Å; A330-I334 PolarHBondContact O-N 2.68Å; A330-V359 HydrophobicContact CB-CG1 4.25Å
331G93Very high89.4Confident0 Ų054.1 Ų54.10%030%0.303CS..Hα-helixtrans-57.4-51173.700000111.9L327 M328 C333 I334 L335L327-G331 PolarHBondContact O-N 2.93Å; M328-G331 PolarHBondContact O-N 2.86Å; G331-C333 VanDerWaalsContact C-N 3.32Å; G331-C333 PolarHBondContact O-N 3.29Å; G331-I334 PolarHBondContact O-N 3.47Å; G331-L335 WeakPolarHBondContact O-CG 3.29Å; G331-L335 PolarHBondContact O-N 3.47Å
332F91.8Very high88.6Confident52 Ų5254.4 Ų54.423%0.22831%0.306CS..Hα-helixtrans-63.6-34174.3-84.3-76.8000113.4F256 Q259 I264 M328 S329 L335 T336 M360F256-F332 HydrophobicContact CB-CE2 3.72Å; F256-F332 HydrophobicContact CB-CZ 4.11Å; F256-F332 HydrophobicContact CD1-CE2 4.26Å; F256-F332 HydrophobicContact CD1-CZ 4.22Å; F256-F332 HydrophobicContact CG-CE2 4.35Å; F256-F332 WeakPolarHBondContact O-CZ 3.37Å; Q259-F332 HydrophobicContact CB-CE1 4.48Å; Q259-F332 HydrophobicContact CB-CZ 4.1Å; Q259-F332 HydrophobicContact CG-CZ 4.12Å; I264-F332 HydrophobicContact CD1-CE1 4.16Å; I264-F332 HydrophobicContact CD1-CZ 4.34Å; M328-F332 HydrophobicContact CG-CD2 4.16Å; M328-F332 HydrophobicContact CG-CE2 4.17Å; M328-F332 WeakPolarHBondContact O-CD2 3.5Å; M328-F332 PolarHBondContact O-N 3.11Å; M328-F332 HydrophobicContact SD-CD2 3.86Å; M328-F332 HydrophobicContact SD-CE2 3.54Å; M328-F332 VanDerWaalsContact SD-CE2 3.54Å; S329-F332 PolarHBondContact O-N 2.75Å; F332-L335 PolarHBondContact O-N 3.25Å; F332-T336 WeakPolarHBondContact O-CB 3.49Å; F332-T336 VanDerWaalsContact O-CG2 3.31Å; F332-T336 WeakPolarHBondContact O-CG2 3.26Å; F332-T336 PolarHBondContact O-N 3.4Å; F332-T336 PolarHBondContact O-OG1 3.34Å; F332-M360 HydrophobicContact CD2-CE 4.43Å; F332-M360 HydrophobicContact CE2-CE 3.66Å; F332-M360 HydrophobicContact CE2-SD 4.37Å; F332-M360 HydrophobicContact CZ-CE 3.81Å
333C93.1Very high87.6Confident68 Ų6855.8 Ų55.846%0.45932%0.317SS..Hα-helixtrans-62.7-43.2173.9-169.60000111.3S329 A330 G331 L335 T336 L337S329-C333 WeakPolarHBondContact O-CB 3.24Å; S329-C333 PolarHBondContact O-N 3.27Å; A330-C333 WeakPolarHBondContact O-CB 3.44Å; A330-C333 PolarHBondContact O-N 2.97Å; G331-C333 VanDerWaalsContact C-N 3.32Å; G331-C333 PolarHBondContact O-N 3.29Å; C333-L335 PolarHBondContact O-N 3.17Å; C333-T336 WeakPolarHBondContact CA-OG1 3.43Å; C333-T336 PolarHBondContact O-N 3.46Å; C333-T336 PolarHBondContact O-OG1 3Å; C333-L337 WeakPolarHBondContact O-CB 3Å; C333-L337 VanDerWaalsContact O-CG 3.31Å; C333-L337 WeakPolarHBondContact O-CG 3.34Å; C333-L337 PolarHBondContact O-N 3.04Å
334I90.8Very high86.7Confident32 Ų3258 Ų5816%0.16433%0.327CS..Hα-helixtrans-64.4-42.1175.5-64.5163.2000110.9A330 G331 L337 S338 L352 L355 V359A330-I334 WeakPolarHBondContact O-CG1 3.47Å; A330-I334 PolarHBondContact O-N 2.68Å; G331-I334 PolarHBondContact O-N 3.47Å; I334-L337 WeakPolarHBondContact O-CB 3.24Å; I334-L337 PolarHBondContact O-N 2.85Å; I334-S338 WeakPolarHBondContact O-CB 3.39Å; I334-S338 PolarHBondContact O-N 3.42Å; I334-L352 HydrophobicContact CG2-CB 4.41Å; I334-L352 HydrophobicContact CG2-CD2 4.41Å; I334-L352 VanDerWaalsContact CG2-O 3.29Å; I334-L352 WeakPolarHBondContact CG2-O 3.13Å; I334-L355 HydrophobicContact CD1-CD2 4.15Å; I334-L355 HydrophobicContact CD1-CG 4.2Å; I334-L355 HydrophobicContact CG2-CD2 4.39Å; I334-V359 HydrophobicContact CD1-CG2 4.1Å
335L88.6Confident85.6Confident15 Ų1565.9 Ų65.98%0.07936%0.358CS..Hα-helixtrans-64.4-40.4177.1-67.3-179.8000112.6I264 G331 F332 C333 S338 A339 M353 M360I264-L335 HydrophobicContact CD1-CD1 3.6Å; I264-L335 HydrophobicContact CG1-CD1 4.27Å; G331-L335 WeakPolarHBondContact O-CG 3.29Å; G331-L335 PolarHBondContact O-N 3.47Å; F332-L335 PolarHBondContact O-N 3.25Å; C333-L335 PolarHBondContact O-N 3.17Å; L335-S338 VanDerWaalsContact O-CB 3.3Å; L335-S338 WeakPolarHBondContact O-CB 3.36Å; L335-S338 PolarHBondContact O-N 3.39Å; L335-A339 PolarHBondContact O-N 3.25Å; L335-M353 HydrophobicContact CD2-CE 3.71Å; L335-M353 HydrophobicContact CD2-SD 3.33Å; L335-M353 WeakPolarHBondContact CD2-SD 3.38Å; L335-M360 HydrophobicContact CD1-SD 3.66Å
336T86.5Confident84.2Confident77 Ų7765.8 Ų65.847%0.47237%0.369SS..Hα-helixtrans-68.7-36.7175.952.20000111.8F332 C333 S338 A339 R340F332-T336 WeakPolarHBondContact O-CB 3.49Å; F332-T336 VanDerWaalsContact O-CG2 3.31Å; F332-T336 WeakPolarHBondContact O-CG2 3.26Å; F332-T336 PolarHBondContact O-N 3.4Å; F332-T336 PolarHBondContact O-OG1 3.34Å; C333-T336 WeakPolarHBondContact CA-OG1 3.43Å; C333-T336 PolarHBondContact O-N 3.46Å; C333-T336 PolarHBondContact O-OG1 3Å; T336-S338 VanDerWaalsContact C-N 3.32Å; T336-A339 PolarHBondContact O-N 3.37Å; T336-R340 WeakPolarHBondContact O-CG 3.25Å; T336-R340 PolarHBondContact O-N 3.19Å
337L86.5Confident82.9Confident95 Ų9569.2 Ų69.250%0.49737%0.374SS..Hα-helixtrans-61-41.9169.4-73.5169.9000111.5C333 I334 A339 R340 W341C333-L337 WeakPolarHBondContact O-CB 3Å; C333-L337 VanDerWaalsContact O-CG 3.31Å; C333-L337 WeakPolarHBondContact O-CG 3.34Å; C333-L337 PolarHBondContact O-N 3.04Å; I334-L337 WeakPolarHBondContact O-CB 3.24Å; I334-L337 PolarHBondContact O-N 2.85Å; L337-A339 VanDerWaalsContact C-N 3.33Å; L337-A339 PolarHBondContact O-N 3.39Å; L337-R340 PolarHBondContact O-N 3.36Å; L337-W341 WeakPolarHBondContact O-CB 3.45Å; L337-W341 PolarHBondContact O-N 3.25Å
338S81.9Confident81.4Confident0 Ų067 Ų670%036%0.363CS..Hα-helixtrans-61-41.4174.7-159.80000111.8I334 L335 T336 W341 S342 S348I334-S338 WeakPolarHBondContact O-CB 3.39Å; I334-S338 PolarHBondContact O-N 3.42Å; L335-S338 VanDerWaalsContact O-CB 3.3Å; L335-S338 WeakPolarHBondContact O-CB 3.36Å; L335-S338 PolarHBondContact O-N 3.39Å; T336-S338 VanDerWaalsContact C-N 3.32Å; S338-W341 WeakPolarHBondContact O-CB 3.3Å; S338-W341 PolarHBondContact O-N 2.92Å; S338-S342 PolarHBondContact O-N 3.07Å; S338-S348 PolarHBondContact O-OG 2.92Å; S338-S348 PolarHBondContact OG-OG 3.28Å
339A80.2Confident80.6Confident37 Ų3768.2 Ų68.231%0.30637%0.372SS..Hα-helixtrans-66.1-42.1175.300000113.4Y267 L335 T336 L337 W341 S342 A343Y267-A339 HydrophobicContact CE2-CB 4.12Å; Y267-A339 WeakPolarHBondContact OH-CA 3.12Å; L335-A339 PolarHBondContact O-N 3.25Å; T336-A339 PolarHBondContact O-N 3.37Å; L337-A339 VanDerWaalsContact C-N 3.33Å; L337-A339 PolarHBondContact O-N 3.39Å; A339-W341 VanDerWaalsContact C-N 3.32Å; A339-W341 PolarHBondContact O-N 3.28Å; A339-S342 VanDerWaalsContact O-CB 3.28Å; A339-S342 WeakPolarHBondContact O-CB 3.39Å; A339-S342 PolarHBondContact O-N 2.86Å; A339-A343 PolarHBondContact O-N 3.37Å
340R80.8Confident80Confident188 Ų18865.7 Ų65.771%0.70935%0.352SS*.Hα-helixtrans-65-37.7174.3-70-17870.5165.83.9112T336 L337 S342 A343 M344T336-R340 WeakPolarHBondContact O-CG 3.25Å; T336-R340 PolarHBondContact O-N 3.19Å; L337-R340 PolarHBondContact O-N 3.36Å; R340-S342 VanDerWaalsContact C-N 3.33Å; R340-A343 PolarHBondContact O-N 3.46Å; R340-M344 WeakPolarHBondContact O-CG 3.48Å; R340-M344 PolarHBondContact O-N 3.32Å
341W76.7Confident79.5Confident129 Ų12968.1 Ų68.149%0.48937%0.365SS..Hα-helixtrans-62.1-44172.7-163.3-60.4000110.9L337 S338 A339 A343 M344 Y345 L352L337-W341 WeakPolarHBondContact O-CB 3.45Å; L337-W341 PolarHBondContact O-N 3.25Å; S338-W341 WeakPolarHBondContact O-CB 3.3Å; S338-W341 PolarHBondContact O-N 2.92Å; A339-W341 VanDerWaalsContact C-N 3.32Å; A339-W341 PolarHBondContact O-N 3.28Å; W341-A343 VanDerWaalsContact C-N 3.31Å; W341-A343 PolarHBondContact O-N 3.3Å; W341-M344 PolarHBondContact O-N 3.03Å; W341-M344 VanDerWaalsContact O-N 3.12Å; W341-Y345 AromaticContact CD1-CD2 3.28Å; W341-Y345 AromaticContact CD1-CE2 3.98Å; W341-Y345 HydrophobicContact CD2-CD2 4.39Å; W341-Y345 HydrophobicContact CD2-CE2 4.37Å; W341-Y345 AromaticContact CE2-CD2 3.88Å; W341-Y345 AromaticContact CE2-CE2 3.8Å; W341-Y345 HydrophobicContact CG-CD2 4.04Å; W341-Y345 HydrophobicContact CG-CE2 4.44Å; W341-Y345 HydrophobicContact CZ2-CE2 4.25Å; W341-Y345 AromaticContact NE1-CD2 3.12Å; W341-Y345 AromaticContact NE1-CE2 3.52Å; W341-Y345 AromaticContact NE1-CG 3.79Å; W341-Y345 WeakPolarHBondContact O-CD2 3.24Å; W341-Y345 PolarHBondContact O-N 3.25Å; W341-L352 HydrophobicContact CE3-CD1 4.26Å
342S72Confident79.1Confident9 Ų970.4 Ų70.46%0.06338%0.377CS..Hα-helixtrans-57.8-42.5175.2-159.20000112.6F271 S338 A339 R340 M344 G346 S348F271-S342 PolarHBondContact O-OG 3.44Å; S338-S342 PolarHBondContact O-N 3.07Å; A339-S342 VanDerWaalsContact O-CB 3.28Å; A339-S342 WeakPolarHBondContact O-CB 3.39Å; A339-S342 PolarHBondContact O-N 2.86Å; R340-S342 VanDerWaalsContact C-N 3.33Å; S342-M344 PolarHBondContact O-N 2.85Å; S342-G346 CarbonylContact O-C 3.39Å; S342-G346 WeakPolarHBondContact O-CA 3.34Å; S342-G346 PolarHBondContact O-N 3.5Å; S342-S348 PolarHBondContact OG-N 2.9Å
343A70Confident78.9Confident88 Ų8868 Ų6873%0.72737%0.366SS*.Hα-helixtrans-64.4-30.4178.300000112.7A339 R340 W341A339-A343 PolarHBondContact O-N 3.37Å; R340-A343 PolarHBondContact O-N 3.46Å; W341-A343 VanDerWaalsContact C-N 3.31Å; W341-A343 PolarHBondContact O-N 3.3Å
344M71.3Confident78.7Confident153 Ų15367 Ų6775%0.75436%0.358SS*.Hα-helixtrans-83.3-37.5179.8-68-65.8-65.900113.4R340 W341 S342R340-M344 WeakPolarHBondContact O-CG 3.48Å; R340-M344 PolarHBondContact O-N 3.32Å; W341-M344 PolarHBondContact O-N 3.03Å; W341-M344 VanDerWaalsContact O-N 3.12Å; S342-M344 PolarHBondContact O-N 2.85Å
345Y69.7Low78.7Confident165 Ų16569.8 Ų69.865%0.64737%0.373SS*.Hα-helixtrans-113.14.2-172-65.9-82.6000114W341 H347W341-Y345 AromaticContact CD1-CD2 3.28Å; W341-Y345 AromaticContact CD1-CE2 3.98Å; W341-Y345 HydrophobicContact CD2-CD2 4.39Å; W341-Y345 HydrophobicContact CD2-CE2 4.37Å; W341-Y345 AromaticContact CE2-CD2 3.88Å; W341-Y345 AromaticContact CE2-CE2 3.8Å; W341-Y345 HydrophobicContact CG-CD2 4.04Å; W341-Y345 HydrophobicContact CG-CE2 4.44Å; W341-Y345 HydrophobicContact CZ2-CE2 4.25Å; W341-Y345 AromaticContact NE1-CD2 3.12Å; W341-Y345 AromaticContact NE1-CE2 3.52Å; W341-Y345 AromaticContact NE1-CG 3.79Å; W341-Y345 WeakPolarHBondContact O-CD2 3.24Å; W341-Y345 PolarHBondContact O-N 3.25Å; Y345-H347 PolarHBondContact O-N 2.9Å; Y345-H347 VanDerWaalsContact O-N 3.11Å
346G63.9Low78.8Confident52 Ų5269.1 Ų69.154%0.53637%0.369SS..SBendtrans78.7-24.6-177.400000114.6S342S342-G346 CarbonylContact O-C 3.39Å; S342-G346 WeakPolarHBondContact O-CA 3.34Å; S342-G346 PolarHBondContact O-N 3.5Å
347H67.7Low79.1Confident112 Ų11266 Ų6652%0.51935%0.35SS..SBendtrans-130.5134179.6-62.4-64.7000112.5N273 Y345N273-H347 HydrophobicContact CB-CB 3.91Å; Y345-H347 PolarHBondContact O-N 2.9Å; Y345-H347 VanDerWaalsContact O-N 3.11Å
348S62.7Low79.4Confident3 Ų362.4 Ų62.42%0.02133%0.334CS..BIsolated β-bridgetrans-74.1141.5172.8-176.90000110.4Y267 F271 S338 S342Y267-S348 VanDerWaalsContact OH-CB 3.31Å; Y267-S348 WeakPolarHBondContact OH-CB 3.12Å; Y267-S348 PolarHBondContact OH-OG 3.45Å; F271-S348 WeakPolarHBondContact O-CB 3.42Å; F271-S348 PolarHBondContact O-N 2.87Å; S338-S348 PolarHBondContact O-OG 2.92Å; S338-S348 PolarHBondContact OG-OG 3.28Å; S342-S348 PolarHBondContact OG-N 2.9Å
349S76.6Confident79.9Confident34 Ų3463.4 Ų63.424%0.23834%0.34CS..  trans-78.1127.2-179.864.90000111.8L352 M353S349-L352 PolarHBondContact O-N 3.49Å; S349-L352 WeakPolarHBondContact OG-CB 3.45Å; S349-L352 WeakPolarHBondContact OG-CD1 3.33Å; S349-L352 WeakPolarHBondContact OG-CG 3.18Å; S349-M353 PolarHBondContact O-N 2.89Å
350L80.5Confident80.5Confident28 Ų2862 Ų6215%0.14733%0.327CS..Hα-helixtrans-58.4-42.2178.8-171.6152.5000112.9M276 F286 L352 M353 V354M276-L350 HydrophobicContact CG-CD1 3.66Å; M276-L350 HydrophobicContact CG-CD2 4.48Å; M276-L350 HydrophobicContact SD-CD1 4.01Å; M276-L350 HydrophobicContact SD-CD2 3.82Å; F286-L350 HydrophobicContact CE1-CG 4.28Å; F286-L350 HydrophobicContact CZ-CD1 4.03Å; F286-L350 HydrophobicContact CZ-CG 4.06Å; L350-L352 PolarHBondContact O-N 3.49Å; L350-M353 WeakPolarHBondContact O-CB 3.35Å; L350-M353 PolarHBondContact O-N 3.28Å; L350-V354 HydrophobicContact CD2-CG2 3.75Å; L350-V354 HydrophobicContact CG-CG2 4.48Å; L350-V354 WeakPolarHBondContact O-CG2 3.18Å; L350-V354 PolarHBondContact O-N 2.99Å
351P84.3Confident80.9Confident94 Ų9453.1 Ų53.161%0.6129%0.293SS*.Hα-helixtrans-62.8-37.6179.6-24.635.3000114.1M353 V354 L355P351-M353 VanDerWaalsContact C-N 3.35Å; P351-V354 PolarHBondContact O-N 3.23Å; P351-L355 VanDerWaalsContact O-CB 3.28Å; P351-L355 WeakPolarHBondContact O-CB 3.37Å; P351-L355 PolarHBondContact O-N 3.29Å
352L85.8Confident81.6Confident47 Ų4749.7 Ų49.725%0.24628%0.282CS..Hα-helixtrans-67.9-38.5177.2-70.1-179.1000111.1I334 W341 S349 L350 L355 G356I334-L352 HydrophobicContact CG2-CB 4.41Å; I334-L352 HydrophobicContact CG2-CD2 4.41Å; I334-L352 VanDerWaalsContact CG2-O 3.29Å; I334-L352 WeakPolarHBondContact CG2-O 3.13Å; W341-L352 HydrophobicContact CE3-CD1 4.26Å; S349-L352 PolarHBondContact O-N 3.49Å; S349-L352 WeakPolarHBondContact OG-CB 3.45Å; S349-L352 WeakPolarHBondContact OG-CD1 3.33Å; S349-L352 WeakPolarHBondContact OG-CG 3.18Å; L350-L352 PolarHBondContact O-N 3.49Å; L352-L355 PolarHBondContact O-N 2.86Å; L352-G356 PolarHBondContact O-N 3.41Å
353M86.5Confident82.6Confident1 Ų149.3 Ų49.31%0.00528%0.279CS..Hα-helixtrans-61.3-49.3174.3-1795661.900111.6I264 Y267 I268 V272 F286 L335 S349 L350 P351 L355 G356 L357I264-M353 HydrophobicContact CG2-SD 4.07Å; Y267-M353 HydrophobicContact CD1-CE 3.51Å; Y267-M353 HydrophobicContact CE1-CE 3.39Å; I268-M353 HydrophobicContact CD1-CE 4.49Å; I268-M353 HydrophobicContact CD1-CG 3.85Å; I268-M353 HydrophobicContact CD1-SD 3.63Å; I268-M353 HydrophobicContact CG1-CE 3.8Å; I268-M353 HydrophobicContact CG1-CG 3.79Å; I268-M353 HydrophobicContact CG1-SD 3.59Å; I268-M353 VanDerWaalsContact CG1-SD 3.59Å; V272-M353 HydrophobicContact CG2-CE 3.91Å; F286-M353 HydrophobicContact CD1-CG 4.1Å; F286-M353 HydrophobicContact CE1-CG 4.03Å; L335-M353 HydrophobicContact CD2-CE 3.71Å; L335-M353 HydrophobicContact CD2-SD 3.33Å; L335-M353 WeakPolarHBondContact CD2-SD 3.38Å; S349-M353 PolarHBondContact O-N 2.89Å; L350-M353 WeakPolarHBondContact O-CB 3.35Å; L350-M353 PolarHBondContact O-N 3.28Å; P351-M353 VanDerWaalsContact C-N 3.35Å; M353-L355 VanDerWaalsContact C-N 3.32Å; M353-L355 PolarHBondContact O-N 3.31Å; M353-G356 PolarHBondContact O-N 3.43Å; M353-L357 HydrophobicContact CG-CD1 4.2Å; M353-L357 WeakPolarHBondContact O-CG 3.33Å; M353-L357 PolarHBondContact O-N 2.97Å; M353-L357 HydrophobicContact SD-CD1 4.12Å; M353-L357 HydrophobicContact SD-CG 4.16Å
354V89.3Confident83.6Confident49 Ų4946.7 Ų46.730%0.29725%0.252SS..Hα-helixtrans-60.3-43.8177.8174.20000110.9F286 I289 L350 P351 A358F286-V354 HydrophobicContact CD1-CG2 4.46Å; F286-V354 HydrophobicContact CE1-CG2 4.01Å; I289-V354 HydrophobicContact CD1-CB 4.21Å; I289-V354 HydrophobicContact CD1-CG1 4.08Å; I289-V354 HydrophobicContact CD1-CG2 3.8Å; I289-V354 HydrophobicContact CG2-CG1 4.33Å; L350-V354 HydrophobicContact CD2-CG2 3.75Å; L350-V354 HydrophobicContact CG-CG2 4.48Å; L350-V354 WeakPolarHBondContact O-CG2 3.18Å; L350-V354 PolarHBondContact O-N 2.99Å; P351-V354 PolarHBondContact O-N 3.23Å; V354-A358 VanDerWaalsContact O-CB 3.29Å; V354-A358 WeakPolarHBondContact O-CB 3.49Å; V354-A358 PolarHBondContact O-N 3.2Å
355L91.3Very high84.3Confident90 Ų9040.8 Ų40.847%0.47122%0.223SC..Hα-helixtrans-63-46.3177.8-17669.3000111.8I334 P351 L352 M353 L357 A358 V359I334-L355 HydrophobicContact CD1-CD2 4.15Å; I334-L355 HydrophobicContact CD1-CG 4.2Å; I334-L355 HydrophobicContact CG2-CD2 4.39Å; P351-L355 VanDerWaalsContact O-CB 3.28Å; P351-L355 WeakPolarHBondContact O-CB 3.37Å; P351-L355 PolarHBondContact O-N 3.29Å; L352-L355 PolarHBondContact O-N 2.86Å; M353-L355 VanDerWaalsContact C-N 3.32Å; M353-L355 PolarHBondContact O-N 3.31Å; L355-L357 PolarHBondContact O-N 3.34Å; L355-A358 PolarHBondContact O-N 3.48Å; L355-V359 VanDerWaalsContact O-CG2 3.29Å; L355-V359 WeakPolarHBondContact O-CG2 3.31Å; L355-V359 PolarHBondContact O-N 3.47Å
356G91.5Very high85.2Confident0 Ų034.3 Ų34.30%020%0.199CC..Hα-helixtrans-59.5-47.4178.300000112L352 M353 A358 V359 M360L352-G356 PolarHBondContact O-N 3.41Å; M353-G356 PolarHBondContact O-N 3.43Å; G356-A358 PolarHBondContact O-N 3.34Å; G356-V359 PolarHBondContact O-N 2.91Å; G356-M360 WeakPolarHBondContact O-CG 3.18Å; G356-M360 PolarHBondContact O-N 2.93Å
357L92Very high86.4Confident12 Ų1231.9 Ų31.96%0.06317%0.173CC..Hα-helixtrans-63.8-39176.4-70.3174.9000112.8I264 I268 F286 I289 M353 L355 M360 G361I264-L357 HydrophobicContact CG2-CD2 4.02Å; I268-L357 HydrophobicContact CD1-CD1 4.03Å; F286-L357 HydrophobicContact CB-CD1 3.96Å; F286-L357 HydrophobicContact CD1-CD1 3.97Å; F286-L357 HydrophobicContact CG-CD1 4.46Å; I289-L357 HydrophobicContact CB-CB 4.41Å; I289-L357 HydrophobicContact CD1-CD1 4.03Å; I289-L357 HydrophobicContact CG2-CB 3.94Å; M353-L357 HydrophobicContact CG-CD1 4.2Å; M353-L357 WeakPolarHBondContact O-CG 3.33Å; M353-L357 PolarHBondContact O-N 2.97Å; M353-L357 HydrophobicContact SD-CD1 4.12Å; M353-L357 HydrophobicContact SD-CG 4.16Å; L355-L357 PolarHBondContact O-N 3.34Å; L357-M360 HydrophobicContact CD2-SD 4.5Å; L357-M360 PolarHBondContact O-N 3.39Å; L357-G361 PolarHBondContact O-N 3.4Å
358A92.7Very high87.2Confident19 Ų1928.6 Ų28.616%0.15716%0.159CC..Hα-helixtrans-65.5-42.7177.200000111.8I289 A293 V354 L355 G356 M360 G361 F362I289-A358 HydrophobicContact CG2-CB 4.09Å; A293-A358 HydrophobicContact CB-CB 4.12Å; A293-A358 WeakPolarHBondContact CB-O 3.29Å; V354-A358 VanDerWaalsContact O-CB 3.29Å; V354-A358 WeakPolarHBondContact O-CB 3.49Å; V354-A358 PolarHBondContact O-N 3.2Å; L355-A358 PolarHBondContact O-N 3.48Å; G356-A358 PolarHBondContact O-N 3.34Å; A358-M360 VanDerWaalsContact C-N 3.32Å; A358-M360 PolarHBondContact O-N 2.88Å; A358-G361 PolarHBondContact O-N 2.88Å; A358-F362 WeakPolarHBondContact O-CG 3.29Å; A358-F362 PolarHBondContact O-N 3.33Å
359V93.1Very high88.2Confident22 Ų2231.5 Ų31.513%0.13318%0.179CC..Hα-helixtrans-62.8-39.5175.9172.10000111.1L327 A330 I334 L355 G356 F362 A363L327-V359 HydrophobicContact CB-CG1 4.42Å; L327-V359 HydrophobicContact CD2-CG1 4.32Å; L327-V359 VanDerWaalsContact O-CG1 3.25Å; L327-V359 WeakPolarHBondContact O-CG1 3.34Å; A330-V359 HydrophobicContact CB-CG1 4.25Å; I334-V359 HydrophobicContact CD1-CG2 4.1Å; L355-V359 VanDerWaalsContact O-CG2 3.29Å; L355-V359 WeakPolarHBondContact O-CG2 3.31Å; L355-V359 PolarHBondContact O-N 3.47Å; G356-V359 PolarHBondContact O-N 2.91Å; V359-F362 PolarHBondContact O-N 2.84Å; V359-A363 PolarHBondContact O-N 2.89Å
360M91.4Very high88.6Confident8 Ų830.7 Ų30.74%0.03917%0.172CC..Hα-helixtrans-63.2-41.1173-68173.467.900112.1I264 M328 F332 L335 G356 L357 A358 A363 E364I264-M360 HydrophobicContact CD1-CE 4Å; I264-M360 HydrophobicContact CD1-SD 4.2Å; M328-M360 HydrophobicContact CE-CB 4.24Å; M328-M360 HydrophobicContact CE-CE 4.32Å; M328-M360 HydrophobicContact CE-CG 4.46Å; M328-M360 HydrophobicContact SD-CB 4.19Å; M328-M360 HydrophobicContact SD-CE 3.69Å; M328-M360 HydrophobicContact SD-CG 3.77Å; M328-M360 HydrophobicContact SD-SD 4.44Å; F332-M360 HydrophobicContact CD2-CE 4.43Å; F332-M360 HydrophobicContact CE2-CE 3.66Å; F332-M360 HydrophobicContact CE2-SD 4.37Å; F332-M360 HydrophobicContact CZ-CE 3.81Å; L335-M360 HydrophobicContact CD1-SD 3.66Å; G356-M360 WeakPolarHBondContact O-CG 3.18Å; G356-M360 PolarHBondContact O-N 2.93Å; L357-M360 HydrophobicContact CD2-SD 4.5Å; L357-M360 PolarHBondContact O-N 3.39Å; A358-M360 VanDerWaalsContact C-N 3.32Å; A358-M360 PolarHBondContact O-N 2.88Å; M360-A363 VanDerWaalsContact O-CB 3.27Å; M360-A363 WeakPolarHBondContact O-CB 3.28Å; M360-A363 PolarHBondContact O-N 3.45Å; M360-E364 PolarHBondContact O-N 2.83Å
361G90.7Very high88.9Confident0 Ų029.4 Ų29.40%017%0.166CC..Hα-helixtrans-63.2-39.1175.200000112.7V294 L357 A358 A363 E364V294-G361 VanDerWaalsContact CG2-O 3.23Å; V294-G361 WeakPolarHBondContact CG2-O 3.28Å; L357-G361 PolarHBondContact O-N 3.4Å; A358-G361 PolarHBondContact O-N 2.88Å; G361-A363 VanDerWaalsContact C-N 3.25Å; G361-A363 PolarHBondContact O-N 3.24Å; G361-E364 WeakPolarHBondContact O-CB 3.48Å; G361-E364 PolarHBondContact O-N 3.4Å
362F91.2Very high88.7Confident58 Ų5827.9 Ų27.925%0.25415%0.151SC..Hα-helixtrans-61.5-35.3173.8-66.1-16.4000112.7A293 L296 C297 L327 A358 V359 E364 F366A293-F362 HydrophobicContact CB-CD1 3.76Å; A293-F362 HydrophobicContact CB-CE1 3.71Å; A293-F362 WeakPolarHBondContact O-CD1 3.32Å; A293-F362 WeakPolarHBondContact O-CE1 3.35Å; L296-F362 HydrophobicContact CB-CE1 4.43Å; L296-F362 HydrophobicContact CD2-CE1 4.08Å; L296-F362 HydrophobicContact CD2-CZ 3.98Å; C297-F362 HydrophobicContact CB-CB 4.46Å; C297-F362 HydrophobicContact CB-CD1 3.48Å; C297-F362 VanDerWaalsContact CB-CD1 3.48Å; C297-F362 HydrophobicContact CB-CE1 3.94Å; C297-F362 HydrophobicContact CB-CG 4.19Å; L327-F362 HydrophobicContact CD1-CB 4.43Å; A358-F362 WeakPolarHBondContact O-CG 3.29Å; A358-F362 PolarHBondContact O-N 3.33Å; V359-F362 PolarHBondContact O-N 2.84Å; F362-E364 VanDerWaalsContact C-N 3.29Å; F362-E364 PolarHBondContact O-N 3.44Å; F362-F366 WeakPolarHBondContact O-CD2 3.42Å; F362-F366 WeakPolarHBondContact O-CE2 3.17Å
363A92.6Very high88.5Confident0 Ų027.6 Ų27.60%015%0.153CC..Hα-helixtrans-63.3-34.3179.900000113.1F253 G324 L327 M328 V359 M360 G361 L365 F366F253-A363 HydrophobicContact CE2-CB 3.64Å; F253-A363 HydrophobicContact CZ-CB 3.99Å; G324-A363 WeakPolarHBondContact O-CB 3.3Å; L327-A363 HydrophobicContact CB-CB 3.68Å; M328-A363 HydrophobicContact CB-CB 4.24Å; M328-A363 HydrophobicContact CE-CB 4.4Å; V359-A363 PolarHBondContact O-N 2.89Å; M360-A363 VanDerWaalsContact O-CB 3.27Å; M360-A363 WeakPolarHBondContact O-CB 3.28Å; M360-A363 PolarHBondContact O-N 3.45Å; G361-A363 VanDerWaalsContact C-N 3.25Å; G361-A363 PolarHBondContact O-N 3.24Å; A363-L365 VanDerWaalsContact C-N 3.28Å; A363-L365 PolarHBondContact O-N 3.17Å; A363-F366 PolarHBondContact O-N 3.29Å
364E90Very high88.3Confident33 Ų3328.9 Ų28.915%0.15416%0.159CC..Hα-helixtrans-57.8-39.8-177.1-172.8176.9143.600112.4F253 W254 N290 V294 M360 G361 F362 F366 I367 D368F253-E364 HydrophobicContact CE1-CB 4.31Å; F253-E364 HydrophobicContact CE1-CG 4.45Å; F253-E364 VanDerWaalsContact CZ-CA 3.46Å; F253-E364 HydrophobicContact CZ-CB 4.13Å; W254-E364 HydrophobicContact CH2-CG 3.74Å; W254-E364 WeakPolarHBondContact CH2-OE1 3.15Å; W254-E364 HydrophobicContact CZ2-CG 3.85Å; N290-E364 PolarHBondContact OD1-OE2 2.83Å; V294-E364 HydrophobicContact CG2-CB 4.15Å; M360-E364 PolarHBondContact O-N 2.83Å; G361-E364 WeakPolarHBondContact O-CB 3.48Å; G361-E364 PolarHBondContact O-N 3.4Å; F362-E364 VanDerWaalsContact C-N 3.29Å; F362-E364 PolarHBondContact O-N 3.44Å; E364-F366 PolarHBondContact O-N 2.82Å; E364-I367 PolarHBondContact O-N 2.9Å; E364-D368 PolarHBondContact O-N 3.36Å
365L87.1Confident88Confident29 Ų2926.6 Ų26.615%0.15215%0.145CC..Hα-helixtrans-66.6-21.7-176.5-168.565.7000113.5C297 L301 A363 P369C297-L365 HydrophobicContact CB-CD2 3.85Å; L301-L365 HydrophobicContact CD1-CD2 3.5Å; L301-L365 VanDerWaalsContact CD1-CD2 3.5Å; L301-L365 HydrophobicContact CD1-CG 4.12Å; L301-L365 HydrophobicContact CG-CD2 4.23Å; A363-L365 VanDerWaalsContact C-N 3.28Å; A363-L365 PolarHBondContact O-N 3.17Å; L365-P369 HydrophobicContact CD1-CG 4.24Å; L365-P369 WeakPolarHBondContact O-CD 3.41Å; L365-P369 WeakPolarHBondContact O-CG 3.46Å
366F87.8Confident87.4Confident30 Ų3026.2 Ų26.213%0.13215%0.147CC..Hα-helixtrans-89.2-13.6179.7-64.8-80.2000113.8L301 L327 F362 A363 E364 V370L301-F366 HydrophobicContact CD1-CE1 3.79Å; L301-F366 HydrophobicContact CD1-CZ 3.8Å; L301-F366 HydrophobicContact CD2-CE1 4.22Å; L301-F366 HydrophobicContact CD2-CZ 4.07Å; L301-F366 HydrophobicContact CG-CZ 4.41Å; L327-F366 HydrophobicContact CD1-CD2 3.93Å; L327-F366 HydrophobicContact CD1-CE2 3.73Å; F362-F366 WeakPolarHBondContact O-CD2 3.42Å; F362-F366 WeakPolarHBondContact O-CE2 3.17Å; A363-F366 PolarHBondContact O-N 3.29Å; E364-F366 PolarHBondContact O-N 2.82Å; F366-V370 WeakPolarHBondContact O-CG2 3.33Å
367I89.3Confident86.9Confident0 Ų032 Ų320%017%0.168CC..Hα-helixtrans-99.9-60.9-175.2-61.3-64.5000110S250 F253 F321 L325 E364 V370 A371S250-I367 WeakPolarHBondContact OG-CG2 3.08Å; F253-I367 HydrophobicContact CB-CG2 4.34Å; F253-I367 HydrophobicContact CD1-CB 4.14Å; F253-I367 HydrophobicContact CD1-CG1 4.07Å; F253-I367 HydrophobicContact CD1-CG2 3.93Å; F253-I367 HydrophobicContact CD2-CD1 4.35Å; F253-I367 HydrophobicContact CD2-CG1 3.72Å; F253-I367 HydrophobicContact CE1-CB 4.32Å; F253-I367 HydrophobicContact CE1-CG1 4.25Å; F253-I367 HydrophobicContact CE2-CG1 3.87Å; F253-I367 HydrophobicContact CG-CB 4.34Å; F253-I367 HydrophobicContact CG-CG1 3.82Å; F253-I367 HydrophobicContact CG-CG2 4.12Å; F253-I367 HydrophobicContact CZ-CG1 4.17Å; F321-I367 HydrophobicContact CB-CD1 4.46Å; F321-I367 HydrophobicContact CD1-CD1 3.62Å; F321-I367 HydrophobicContact CD2-CD1 3.93Å; F321-I367 HydrophobicContact CE1-CD1 3.73Å; F321-I367 HydrophobicContact CE1-CG2 4.22Å; F321-I367 HydrophobicContact CE2-CB 4.47Å; F321-I367 HydrophobicContact CE2-CD1 4.05Å; F321-I367 HydrophobicContact CE2-CG2 4.09Å; F321-I367 HydrophobicContact CG-CD1 3.75Å; F321-I367 HydrophobicContact CZ-CD1 3.99Å; F321-I367 HydrophobicContact CZ-CG2 3.71Å; L325-I367 HydrophobicContact CG-CD1 4.46Å; E364-I367 PolarHBondContact O-N 2.9Å; I367-V370 PolarHBondContact O-N 3.27Å; I367-A371 WeakPolarHBondContact O-CB 3.44Å; I367-A371 PolarHBondContact O-N 3.44Å
368D85.7Confident86.3Confident43 Ų4331.7 Ų31.723%0.2317%0.167CC..Hα-helixtrans-68.7-51.8-165.6-110.518000114.4W254 E364 V370 A371 M372 Y391W254-D368 WeakPolarHBondContact CZ2-OD2 3.38Å; W254-D368 PolarHBondContact NE1-OD1 3.35Å; E364-D368 PolarHBondContact O-N 3.36Å; D368-V370 PolarHBondContact O-N 2.89Å; D368-A371 PolarHBondContact O-N 2.92Å; D368-M372 WeakPolarHBondContact O-CB 3.25Å; D368-M372 WeakPolarHBondContact O-CG 3.48Å; D368-M372 PolarHBondContact O-N 3.3Å; D368-Y391 PolarHBondContact OD1-OH 2.77Å
369P82.7Confident85.5Confident65 Ų6537.5 Ų37.542%0.42219%0.191SC..Hα-helixtrans-60.3-33.4176.5-23.333.9000112.3L365 S373L365-P369 HydrophobicContact CD1-CG 4.24Å; L365-P369 WeakPolarHBondContact O-CD 3.41Å; L365-P369 WeakPolarHBondContact O-CG 3.46Å; P369-S373 WeakPolarHBondContact O-CB 3.31Å; P369-S373 PolarHBondContact O-N 3.23Å
370V85Confident84.6Confident16 Ų1637.1 Ų37.110%0.09719%0.188CC..Hα-helixtrans-70.7-46.1-179178.60000110.7I317 K320 F321 F366 I367 D368 S373 Q374I317-V370 HydrophobicContact CG2-CG1 3.93Å; K320-V370 HydrophobicContact CB-CG2 4.22Å; K320-V370 HydrophobicContact CD-CG2 3.85Å; F321-V370 HydrophobicContact CD2-CG1 4.27Å; F366-V370 WeakPolarHBondContact O-CG2 3.33Å; I367-V370 PolarHBondContact O-N 3.27Å; D368-V370 PolarHBondContact O-N 2.89Å; V370-S373 PolarHBondContact O-N 3.17Å; V370-Q374 PolarHBondContact O-N 3.04Å
371A86.3Confident83.8Confident2 Ų242.1 Ų42.12%0.01722%0.221CC..Hα-helixtrans-62.4-49.8176.300000111.2F321 I367 D368 S373 Q374 I375 Y391F321-A371 HydrophobicContact CE2-CB 4.37Å; I367-A371 WeakPolarHBondContact O-CB 3.44Å; I367-A371 PolarHBondContact O-N 3.44Å; D368-A371 PolarHBondContact O-N 2.92Å; A371-S373 VanDerWaalsContact C-N 3.3Å; A371-S373 PolarHBondContact O-N 3.21Å; A371-Q374 PolarHBondContact O-N 3.15Å; A371-I375 WeakPolarHBondContact O-CG1 3.46Å; A371-I375 PolarHBondContact O-N 3.28Å; A371-I375 VanDerWaalsContact O-N 3.08Å; A371-Y391 HydrophobicContact CB-CD2 4.45Å; A371-Y391 HydrophobicContact CB-CE2 3.56Å; A371-Y391 WeakPolarHBondContact CB-OH 3.32Å
372M80.4Confident83Confident62 Ų6245.4 Ų45.431%0.30526%0.255SS..Hα-helixtrans-59.7-38.9177.7-72.6-60-64.200112.4D368 Q374 I375 T376 T388 Y391D368-M372 WeakPolarHBondContact O-CB 3.25Å; D368-M372 WeakPolarHBondContact O-CG 3.48Å; D368-M372 PolarHBondContact O-N 3.3Å; M372-Q374 VanDerWaalsContact C-N 3.32Å; M372-Q374 PolarHBondContact O-N 3.22Å; M372-I375 PolarHBondContact O-N 3.17Å; M372-I375 HydrophobicContact SD-CD1 4.41Å; M372-T376 WeakPolarHBondContact O-CG2 3.2Å; M372-T376 PolarHBondContact O-N 2.86Å; M372-T376 VanDerWaalsContact O-N 3.09Å; M372-T376 PolarHBondContact O-OG1 3.15Å; M372-T376 VanDerWaalsContact O-OG1 3.06Å; M372-T388 HydrophobicContact CE-CG2 3.44Å; M372-T388 VanDerWaalsContact CE-CG2 3.44Å; M372-T388 HydrophobicContact SD-CG2 4.07Å; M372-Y391 HydrophobicContact CG-CE1 4.4Å; M372-Y391 HydrophobicContact SD-CD1 3.82Å; M372-Y391 HydrophobicContact SD-CE1 4.05Å
373S82.3Confident82.5Confident40 Ų4043.2 Ų43.228%0.2825%0.246SC..Hα-helixtrans-64.7-32176-175.50000113.2P369 V370 A371 T376 R377P369-S373 WeakPolarHBondContact O-CB 3.31Å; P369-S373 PolarHBondContact O-N 3.23Å; V370-S373 PolarHBondContact O-N 3.17Å; A371-S373 VanDerWaalsContact C-N 3.3Å; A371-S373 PolarHBondContact O-N 3.21Å; S373-T376 PolarHBondContact O-OG1 3.41Å; S373-R377 WeakPolarHBondContact O-CB 3.45Å; S373-R377 VanDerWaalsContact O-CD 3.31Å; S373-R377 WeakPolarHBondContact O-CD 3.17Å; S373-R377 WeakPolarHBondContact O-CG 3.26Å; S373-R377 PolarHBondContact O-N 3.07Å
374Q82.5Confident81.8Confident28 Ų2845.7 Ų45.713%0.13126%0.261CS..Hα-helixtrans-75.4-40.3175.3-64.4-39.2-67.500112I243 L246 I317 V370 A371 M372 T376 R377I243-Q374 HydrophobicContact CG1-CB 4.4Å; L246-Q374 HydrophobicContact CD1-CB 4.17Å; L246-Q374 HydrophobicContact CD1-CG 3.79Å; I317-Q374 HydrophobicContact CD1-CG 4.03Å; V370-Q374 PolarHBondContact O-N 3.04Å; A371-Q374 PolarHBondContact O-N 3.15Å; M372-Q374 VanDerWaalsContact C-N 3.32Å; M372-Q374 PolarHBondContact O-N 3.22Å; Q374-T376 VanDerWaalsContact C-N 3.32Å; Q374-T376 PolarHBondContact O-N 3.29Å; Q374-R377 PolarHBondContact O-N 3.45Å
375I83.6Confident81Confident2 Ų246.6 Ų46.61%0.0128%0.28CS..Hα-helixtrans-62.2-41.2179.8-66.9163.2000111.2I243 A371 M372 R377 I378 L387 T388 Y391I243-I375 HydrophobicContact CG1-CG1 4.47Å; I243-I375 HydrophobicContact CG2-CG1 3.83Å; A371-I375 WeakPolarHBondContact O-CG1 3.46Å; A371-I375 PolarHBondContact O-N 3.28Å; A371-I375 VanDerWaalsContact O-N 3.08Å; M372-I375 PolarHBondContact O-N 3.17Å; M372-I375 HydrophobicContact SD-CD1 4.41Å; I375-R377 VanDerWaalsContact C-N 3.33Å; I375-R377 PolarHBondContact O-N 3Å; I375-I378 VanDerWaalsContact O-CG2 3.26Å; I375-I378 WeakPolarHBondContact O-CG2 3.43Å; I375-L387 HydrophobicContact CG2-CB 3.63Å; I375-T388 WeakPolarHBondContact CG2-OG1 3.33Å; I375-Y391 HydrophobicContact CD1-CD1 4.18Å; I375-Y391 HydrophobicContact CD1-CD2 3.71Å; I375-Y391 HydrophobicContact CD1-CG 3.52Å
376T78.6Confident80.8Confident82 Ų8248.2 Ų48.250%0.50329%0.29SS..Hα-helixtrans-76.9-18.3-178.655.10000113.9M372 S373 Q374M372-T376 WeakPolarHBondContact O-CG2 3.2Å; M372-T376 PolarHBondContact O-N 2.86Å; M372-T376 VanDerWaalsContact O-N 3.09Å; M372-T376 PolarHBondContact O-OG1 3.15Å; M372-T376 VanDerWaalsContact O-OG1 3.06Å; S373-T376 PolarHBondContact O-OG1 3.41Å; Q374-T376 VanDerWaalsContact C-N 3.32Å; Q374-T376 PolarHBondContact O-N 3.29Å
377R79.2Confident80.6Confident120 Ų12047 Ų4745%0.45329%0.285SS..THydrogen-bonded Turntrans-86.2-7179.6-77177.4-177.3-163.51.1114.3S373 Q374 I375 E379S373-R377 WeakPolarHBondContact O-CB 3.45Å; S373-R377 VanDerWaalsContact O-CD 3.31Å; S373-R377 WeakPolarHBondContact O-CD 3.17Å; S373-R377 WeakPolarHBondContact O-CG 3.26Å; S373-R377 PolarHBondContact O-N 3.07Å; Q374-R377 PolarHBondContact O-N 3.45Å; I375-R377 VanDerWaalsContact C-N 3.33Å; I375-R377 PolarHBondContact O-N 3Å; R377-E379 PolarHBondContact O-N 2.95Å
378I80.2Confident80.3Confident7 Ų748.3 Ų48.34%0.03629%0.294CS..  trans-71125180-162171.9000110.5L240 I243 I375 I380 T384 L387L240-I378 HydrophobicContact CD2-CD1 3.42Å; L240-I378 VanDerWaalsContact CD2-CD1 3.42Å; L240-I378 HydrophobicContact CG-CD1 3.65Å; I243-I378 HydrophobicContact CD1-CB 4.26Å; I243-I378 HydrophobicContact CD1-CD1 3.95Å; I375-I378 VanDerWaalsContact O-CG2 3.26Å; I375-I378 WeakPolarHBondContact O-CG2 3.43Å; I378-I380 HydrophobicContact CD1-CD1 3.64Å; I378-I380 HydrophobicContact CD1-CG1 4.2Å; I378-I380 HydrophobicContact CG1-CD1 4.05Å; I378-I380 HydrophobicContact CG1-CG1 4.04Å; I378-I380 PolarHBondContact O-N 3.43Å; I378-T384 HydrophobicContact CG2-CG2 3.97Å; I378-L387 HydrophobicContact CD1-CD1 4.2Å; I378-L387 HydrophobicContact CG2-CD1 3.84Å
379E75.3Confident80.1Confident141 Ų14147.2 Ų47.266%0.65929%0.292SS*.  trans-85.452.3-176.8-65.5168.817600111K235 Q236 R377K235-E379 IonicContact NZ-OE2 3.43Å; Q236-E379 PolarHBondContact NE2-O 3.16Å; R377-E379 PolarHBondContact O-N 2.95Å
380I75.1Confident80.2Confident14 Ų1444.7 Ų44.77%0.07228%0.275CS..  trans-115.6112.4172-56.4172.5000108.8Q236 L240 I378 G382 V383Q236-I380 HydrophobicContact CB-CD1 4.24Å; Q236-I380 HydrophobicContact CG-CD1 4.24Å; Q236-I380 HydrophobicContact CG-CG1 4.02Å; L240-I380 HydrophobicContact CD1-CD1 4.1Å; L240-I380 HydrophobicContact CG-CD1 4.39Å; I378-I380 HydrophobicContact CD1-CD1 3.64Å; I378-I380 HydrophobicContact CD1-CG1 4.2Å; I378-I380 HydrophobicContact CG1-CD1 4.05Å; I378-I380 HydrophobicContact CG1-CG1 4.04Å; I378-I380 PolarHBondContact O-N 3.43Å; I380-G382 PolarHBondContact O-N 3.01Å; I380-V383 HydrophobicContact CB-CB 3.99Å; I380-V383 HydrophobicContact CB-CG2 4.21Å; I380-V383 HydrophobicContact CG2-CB 3.79Å; I380-V383 HydrophobicContact CG2-CG1 4.46Å; I380-V383 HydrophobicContact CG2-CG2 3.43Å; I380-V383 VanDerWaalsContact CG2-CG2 3.43Å; I380-V383 PolarHBondContact O-N 2.94Å
381P74.2Confident80.4Confident113 Ų11344.2 Ų44.273%0.73427%0.272SS*.THydrogen-bonded Turntrans-62131-176.421.7-30.3000111.7V383P381-V383 VanDerWaalsContact C-N 3.28Å; P381-V383 PolarHBondContact O-N 3.44Å
382G75Confident80.4Confident69 Ų6947.3 Ų47.371%0.71129%0.287SS*.THydrogen-bonded Turntrans76.82.7178.200000115.9I380I380-G382 PolarHBondContact O-N 3.01Å
383V79.9Confident80.8Confident11 Ų1145.1 Ų45.17%0.06728%0.276CS..THydrogen-bonded Turntrans-102.1-24.2-175.5171.90000113.1I227 I380 P381 G385 V386 L387I227-V383 HydrophobicContact CB-CG1 4.48Å; I227-V383 HydrophobicContact CD1-CG1 3.87Å; I227-V383 HydrophobicContact CG1-CG1 4Å; I227-V383 HydrophobicContact CG1-CG2 4.43Å; I227-V383 HydrophobicContact CG2-CG1 3.62Å; I380-V383 HydrophobicContact CB-CB 3.99Å; I380-V383 HydrophobicContact CB-CG2 4.21Å; I380-V383 HydrophobicContact CG2-CB 3.79Å; I380-V383 HydrophobicContact CG2-CG1 4.46Å; I380-V383 HydrophobicContact CG2-CG2 3.43Å; I380-V383 VanDerWaalsContact CG2-CG2 3.43Å; I380-V383 PolarHBondContact O-N 2.94Å; P381-V383 VanDerWaalsContact C-N 3.28Å; P381-V383 PolarHBondContact O-N 3.44Å; V383-G385 PolarHBondContact O-N 3.5Å; V383-V386 PolarHBondContact O-N 3.07Å; V383-V386 VanDerWaalsContact O-N 3.1Å; V383-L387 HydrophobicContact CG1-CD1 3.6Å; V383-L387 HydrophobicContact CG1-CG 3.72Å; V383-L387 PolarHBondContact O-N 2.91Å
384T77Confident81.1Confident52 Ų5244 Ų4432%0.31927%0.267SS..Hα-helixtrans-54.6-50.4-178.5500000112.8I378 V386 L387 T388I378-T384 HydrophobicContact CG2-CG2 3.97Å; T384-V386 VanDerWaalsContact C-N 3.31Å; T384-V386 PolarHBondContact O-N 3.48Å; T384-L387 PolarHBondContact O-N 2.88Å; T384-T388 PolarHBondContact O-N 3.49Å; T384-T388 PolarHBondContact O-OG1 3.19Å; T384-T388 VanDerWaalsContact O-OG1 3.05Å
385G74.5Confident81.5Confident53 Ų5343 Ų4355%0.54626%0.263SS..Hα-helixtrans-63-36.4177.900000113.2V383 T388 G389V383-G385 PolarHBondContact O-N 3.5Å; G385-T388 PolarHBondContact O-N 2.99Å; G385-G389 PolarHBondContact O-N 3.46Å
386V82.2Confident81.7Confident62 Ų6243.1 Ų43.138%0.37626%0.264SS..Hα-helixtrans-69-43.7178-177.40000111V223 I227 V383 T384 G389 I390V223-V386 HydrophobicContact CG1-CG1 3.34Å; I227-V386 HydrophobicContact CD1-CB 4.38Å; I227-V386 HydrophobicContact CD1-CG1 3.83Å; V383-V386 PolarHBondContact O-N 3.07Å; V383-V386 VanDerWaalsContact O-N 3.1Å; T384-V386 VanDerWaalsContact C-N 3.31Å; T384-V386 PolarHBondContact O-N 3.48Å; V386-G389 PolarHBondContact O-N 3.44Å; V386-I390 HydrophobicContact CG1-CD1 4.04Å; V386-I390 WeakPolarHBondContact O-CG1 3.43Å; V386-I390 PolarHBondContact O-N 2.89Å
387L83.7Confident82.1Confident4 Ų439.2 Ų39.22%0.02124%0.24CC..Hα-helixtrans-64.8-39.6176.1-75.2172000111.9L224 I227 L240 I243 I375 I378 V383 T384 G389 I390 Y391L224-L387 HydrophobicContact CD1-CD2 3.89Å; I227-L387 HydrophobicContact CD1-CD2 4.2Å; I227-L387 HydrophobicContact CD1-CG 4.4Å; L240-L387 HydrophobicContact CD2-CD1 3.99Å; L240-L387 HydrophobicContact CD2-CD2 4.28Å; I243-L387 HydrophobicContact CD1-CD1 4.31Å; I375-L387 HydrophobicContact CG2-CB 3.63Å; I378-L387 HydrophobicContact CD1-CD1 4.2Å; I378-L387 HydrophobicContact CG2-CD1 3.84Å; V383-L387 HydrophobicContact CG1-CD1 3.6Å; V383-L387 HydrophobicContact CG1-CG 3.72Å; V383-L387 PolarHBondContact O-N 2.91Å; T384-L387 PolarHBondContact O-N 2.88Å; L387-G389 VanDerWaalsContact C-N 3.31Å; L387-G389 PolarHBondContact O-N 3.45Å; L387-I390 PolarHBondContact O-N 2.99Å; L387-Y391 WeakPolarHBondContact O-CB 3.49Å; L387-Y391 PolarHBondContact O-N 3.26Å
388T82.4Confident82.6Confident29 Ų2934.6 Ų34.618%0.17822%0.224CC..Hα-helixtrans-61.4-41.8172.8-59.20000111.1M372 I375 T384 G385 Y391 M392M372-T388 HydrophobicContact CE-CG2 3.44Å; M372-T388 VanDerWaalsContact CE-CG2 3.44Å; M372-T388 HydrophobicContact SD-CG2 4.07Å; I375-T388 WeakPolarHBondContact CG2-OG1 3.33Å; T384-T388 PolarHBondContact O-N 3.49Å; T384-T388 PolarHBondContact O-OG1 3.19Å; T384-T388 VanDerWaalsContact O-OG1 3.05Å; G385-T388 PolarHBondContact O-N 2.99Å; T388-Y391 WeakPolarHBondContact O-CB 3.1Å; T388-Y391 PolarHBondContact O-N 3.42Å; T388-M392 HydrophobicContact CG2-SD 4.4Å; T388-M392 WeakPolarHBondContact O-CG 3.2Å; T388-M392 PolarHBondContact O-N 2.84Å
389G81.9Confident83.2Confident20 Ų2034.2 Ų34.221%0.20622%0.223CC..Hα-helixtrans-62.8-43.6175.100000112.9G385 V386 L387 M392 L393G385-G389 PolarHBondContact O-N 3.46Å; V386-G389 PolarHBondContact O-N 3.44Å; L387-G389 VanDerWaalsContact C-N 3.31Å; L387-G389 PolarHBondContact O-N 3.45Å; G389-M392 PolarHBondContact O-N 3.26Å; G389-L393 WeakPolarHBondContact O-CB 3.41Å; G389-L393 PolarHBondContact O-N 3.02Å
390I85.8Confident83.9Confident11 Ų1127.6 Ų27.66%0.05619%0.192CC..Hα-helixtrans-63.9-43.4175-67.5164.7000110.4V223 L224 I227 V386 L387 L393 L394V223-I390 HydrophobicContact CB-CD1 4.33Å; V223-I390 HydrophobicContact CG1-CD1 4.08Å; L224-I390 HydrophobicContact CB-CD1 4.17Å; L224-I390 HydrophobicContact CD1-CD1 4.32Å; I227-I390 HydrophobicContact CD1-CD1 4.17Å; V386-I390 HydrophobicContact CG1-CD1 4.04Å; V386-I390 WeakPolarHBondContact O-CG1 3.43Å; V386-I390 PolarHBondContact O-N 2.89Å; L387-I390 PolarHBondContact O-N 2.99Å; I390-L393 PolarHBondContact O-N 2.74Å; I390-L394 HydrophobicContact CG2-CD1 3.79Å; I390-L394 HydrophobicContact CG2-CG 4.12Å; I390-L394 WeakPolarHBondContact O-CB 3.48Å; I390-L394 VanDerWaalsContact O-CG 3.31Å; I390-L394 WeakPolarHBondContact O-CG 3.04Å; I390-L394 PolarHBondContact O-N 3Å
391Y89.4Confident84.6Confident6 Ų630.7 Ų30.72%0.02420%0.203CC..Hα-helixtrans-56.5-53.3175.2176.8-98.6000110.7T247 S250 D368 A371 M372 I375 L387 T388 L393 L394 S395T247-Y391 HydrophobicContact CG2-CD2 3.85Å; S250-Y391 WeakPolarHBondContact CB-OH 3.46Å; S250-Y391 WeakPolarHBondContact OG-CE2 3.33Å; S250-Y391 PolarHBondContact OG-OH 3.09Å; D368-Y391 PolarHBondContact OD1-OH 2.77Å; A371-Y391 HydrophobicContact CB-CD2 4.45Å; A371-Y391 HydrophobicContact CB-CE2 3.56Å; A371-Y391 WeakPolarHBondContact CB-OH 3.32Å; M372-Y391 HydrophobicContact CG-CE1 4.4Å; M372-Y391 HydrophobicContact SD-CD1 3.82Å; M372-Y391 HydrophobicContact SD-CE1 4.05Å; I375-Y391 HydrophobicContact CD1-CD1 4.18Å; I375-Y391 HydrophobicContact CD1-CD2 3.71Å; I375-Y391 HydrophobicContact CD1-CG 3.52Å; L387-Y391 WeakPolarHBondContact O-CB 3.49Å; L387-Y391 PolarHBondContact O-N 3.26Å; T388-Y391 WeakPolarHBondContact O-CB 3.1Å; T388-Y391 PolarHBondContact O-N 3.42Å; Y391-L393 VanDerWaalsContact C-N 3.28Å; Y391-L393 PolarHBondContact O-N 3.46Å; Y391-L394 PolarHBondContact O-N 3.26Å; Y391-S395 WeakPolarHBondContact CE1-OG 3.42Å; Y391-S395 WeakPolarHBondContact O-CB 3.47Å; Y391-S395 PolarHBondContact O-N 3.48Å; Y391-S395 PolarHBondContact O-OG 3.32Å
392M86Confident85.3Confident68 Ų6828 Ų2834%0.33518%0.182SC..Hα-helixtrans-61.9-33.9178.5-70.1-177.173.200113.3T388 G389 G396 A397T388-M392 HydrophobicContact CG2-SD 4.4Å; T388-M392 WeakPolarHBondContact O-CG 3.2Å; T388-M392 PolarHBondContact O-N 2.84Å; G389-M392 PolarHBondContact O-N 3.26Å; M392-G396 WeakPolarHBondContact O-CA 3.49Å; M392-G396 PolarHBondContact O-N 3.19Å; M392-A397 PolarHBondContact O-N 2.67Å
393L87.6Confident86.1Confident15 Ų1524.9 Ų24.98%0.07915%0.149CC..Iπ-helixtrans-67.6-47.4175.6-173156.5000110.9I36 A216 G389 I390 Y391 A397 I398I36-L393 HydrophobicContact CD1-CB 4.37Å; I36-L393 HydrophobicContact CD1-CD1 4.39Å; A216-L393 HydrophobicContact CB-CD1 4.1Å; G389-L393 WeakPolarHBondContact O-CB 3.41Å; G389-L393 PolarHBondContact O-N 3.02Å; I390-L393 PolarHBondContact O-N 2.74Å; Y391-L393 VanDerWaalsContact C-N 3.28Å; Y391-L393 PolarHBondContact O-N 3.46Å; L393-A397 WeakPolarHBondContact O-CA 3.27Å; L393-A397 VanDerWaalsContact O-CB 3.24Å; L393-A397 WeakPolarHBondContact O-CB 3.3Å; L393-A397 PolarHBondContact O-N 3.09Å; L393-I398 HydrophobicContact CD2-CD1 4.14Å; L393-I398 HydrophobicContact CD2-CG1 4.33Å; L393-I398 PolarHBondContact O-N 3.18Å
394L89.4Confident86.5Confident18 Ų1824.7 Ų24.79%0.09415%0.15CC..Iπ-helixtrans-72.3-52.6-178.7-67.6-175.6000111.6T217 T247 M251 I390 Y391 I398 A399T217-L394 HydrophobicContact CG2-CD2 4.38Å; T247-L394 HydrophobicContact CG2-CB 3.76Å; T247-L394 HydrophobicContact CG2-CD1 3.61Å; T247-L394 HydrophobicContact CG2-CG 4.27Å; M251-L394 HydrophobicContact CE-CB 3.6Å; M251-L394 HydrophobicContact CE-CD1 4.44Å; M251-L394 HydrophobicContact CE-CD2 3.79Å; M251-L394 HydrophobicContact CE-CG 4.12Å; M251-L394 WeakPolarHBondContact CG-O 3.36Å; I390-L394 HydrophobicContact CG2-CD1 3.79Å; I390-L394 HydrophobicContact CG2-CG 4.12Å; I390-L394 WeakPolarHBondContact O-CB 3.48Å; I390-L394 VanDerWaalsContact O-CG 3.31Å; I390-L394 WeakPolarHBondContact O-CG 3.04Å; I390-L394 PolarHBondContact O-N 3Å; Y391-L394 PolarHBondContact O-N 3.26Å; L394-I398 HydrophobicContact CD2-CD1 3.32Å; L394-I398 HydrophobicContact CD2-CG1 4.48Å; L394-I398 WeakPolarHBondContact O-CB 3.45Å; L394-A399 PolarHBondContact O-N 3.48Å
395S89.6Confident87.1Confident7 Ų724.5 Ų24.55%0.04915%0.149CC..Iπ-helixtrans-81.1-20.3-176.675.50000114.3W254 Y391 A399W254-S395 WeakPolarHBondContact CB-O 3.44Å; Y391-S395 WeakPolarHBondContact CE1-OG 3.42Å; Y391-S395 WeakPolarHBondContact O-CB 3.47Å; Y391-S395 PolarHBondContact O-N 3.48Å; Y391-S395 PolarHBondContact O-OG 3.32Å; S395-A399 WeakPolarHBondContact O-CB 3.46Å
396G87.8Confident87.8Confident3 Ų324 Ų243%0.03113%0.133CC..Iπ-helixtrans-97.9-67.717500000111M392 N400M392-G396 WeakPolarHBondContact O-CA 3.49Å; M392-G396 PolarHBondContact O-N 3.19Å; G396-N400 WeakPolarHBondContact O-CB 3.47Å; G396-N400 PolarHBondContact O-N 2.83Å; G396-N400 VanDerWaalsContact O-N 3.11Å; G396-N400 PolarHBondContact O-ND2 3.03Å
397A87.5Confident88Confident0 Ų021.1 Ų21.10%012%0.115CC..Iπ-helixtrans-70.3-52.6-169.500000113.2S29 V33 L213 M392 L393 N400 Y401S29-A397 VanDerWaalsContact CB-O 3.29Å; S29-A397 WeakPolarHBondContact CB-O 3.47Å; S29-A397 WeakPolarHBondContact O-CB 3.35Å; S29-A397 PolarHBondContact OG-O 3.36Å; V33-A397 HydrophobicContact CG2-CB 3.55Å; L213-A397 HydrophobicContact CD2-CB 4.05Å; M392-A397 PolarHBondContact O-N 2.67Å; L393-A397 WeakPolarHBondContact O-CA 3.27Å; L393-A397 VanDerWaalsContact O-CB 3.24Å; L393-A397 WeakPolarHBondContact O-CB 3.3Å; L393-A397 PolarHBondContact O-N 3.09Å; A397-N400 PolarHBondContact O-N 2.67Å; A397-Y401 PolarHBondContact O-N 3.39Å
398I89.8Confident88Confident23 Ų2322.1 Ų22.112%0.11812%0.121CC..Iπ-helixtrans-69.1-40.1-179.2-58.2179.3000110.9T217 M251 L393 L394 N400 Y401 L402T217-I398 HydrophobicContact CG2-CD1 3.39Å; T217-I398 WeakPolarHBondContact OG1-CD1 3.21Å; M251-I398 HydrophobicContact CE-CB 4.36Å; M251-I398 HydrophobicContact CE-CD1 4.27Å; M251-I398 HydrophobicContact CE-CG2 4.22Å; M251-I398 HydrophobicContact SD-CG2 4Å; L393-I398 HydrophobicContact CD2-CD1 4.14Å; L393-I398 HydrophobicContact CD2-CG1 4.33Å; L393-I398 PolarHBondContact O-N 3.18Å; L394-I398 HydrophobicContact CD2-CD1 3.32Å; L394-I398 HydrophobicContact CD2-CG1 4.48Å; L394-I398 WeakPolarHBondContact O-CB 3.45Å; I398-N400 VanDerWaalsContact C-N 3.28Å; I398-N400 PolarHBondContact O-N 2.98Å; I398-Y401 WeakPolarHBondContact O-CB 3.22Å; I398-Y401 PolarHBondContact O-N 3.37Å; I398-Y401 VanDerWaalsContact O-N 3.08Å; I398-L402 HydrophobicContact CG2-CD1 4.06Å; I398-L402 HydrophobicContact CG2-CG 4.17Å; I398-L402 WeakPolarHBondContact O-CG 3.18Å; I398-L402 PolarHBondContact O-N 3.46Å
399A92.1Very high88.2Confident0 Ų026.7 Ų26.70%014%0.14CC..Hα-helixtrans-57-41.7176.100000112.3M251 W254 A255 L394 S395 L402 A403M251-A399 HydrophobicContact CG-CB 4.31Å; M251-A399 WeakPolarHBondContact O-CB 3.49Å; W254-A399 HydrophobicContact CB-CB 3.69Å; A255-A399 WeakPolarHBondContact CA-O 3.4Å; A255-A399 HydrophobicContact CB-CB 4.38Å; L394-A399 PolarHBondContact O-N 3.48Å; S395-A399 WeakPolarHBondContact O-CB 3.46Å; A399-L402 PolarHBondContact O-N 3.4Å; A399-A403 WeakPolarHBondContact O-CB 3.41Å; A399-A403 PolarHBondContact O-N 3.11Å
400N90.8Very high88Confident2 Ų229.1 Ų29.11%0.01115%0.151CC..Hα-helixtrans-66.9-34.4175.7-84.2-78.5000113S25 C28 Y32 Q258 G396 A397 I398 A403 G404S25-N400 VanDerWaalsContact CB-O 3.23Å; S25-N400 WeakPolarHBondContact CB-O 3.24Å; C28-N400 HydrophobicContact CB-CB 3.83Å; C28-N400 VanDerWaalsContact CB-OD1 3.28Å; C28-N400 WeakPolarHBondContact CB-OD1 3.49Å; Y32-N400 WeakPolarHBondContact CE2-ND2 3.46Å; Q258-N400 VanDerWaalsContact CG-OD1 3.31Å; Q258-N400 WeakPolarHBondContact CG-OD1 3.22Å; G396-N400 WeakPolarHBondContact O-CB 3.47Å; G396-N400 PolarHBondContact O-N 2.83Å; G396-N400 VanDerWaalsContact O-N 3.11Å; G396-N400 PolarHBondContact O-ND2 3.03Å; A397-N400 PolarHBondContact O-N 2.67Å; I398-N400 VanDerWaalsContact C-N 3.28Å; I398-N400 PolarHBondContact O-N 2.98Å; N400-A403 WeakPolarHBondContact O-CB 3.36Å; N400-A403 PolarHBondContact O-N 3.01Å; N400-G404 PolarHBondContact O-N 3.36Å; N400-G404 VanDerWaalsContact O-N 3.08Å
401Y89.4Confident87.4Confident78 Ų7829.2 Ų29.231%0.30615%0.153SC..Hα-helixtrans-66.6-48.7173.7173.6-101.4000111.2S29 V210 L213 A397 I398 A403 G404 V405S29-Y401 PolarHBondContact OG-N 2.89Å; V210-Y401 HydrophobicContact CB-CE2 4.31Å; V210-Y401 HydrophobicContact CG1-CE2 3.94Å; V210-Y401 HydrophobicContact CG2-CD2 4.37Å; V210-Y401 HydrophobicContact CG2-CE2 3.56Å; L213-Y401 HydrophobicContact CD1-CD2 4.24Å; L213-Y401 HydrophobicContact CD1-CG 4.3Å; A397-Y401 PolarHBondContact O-N 3.39Å; I398-Y401 WeakPolarHBondContact O-CB 3.22Å; I398-Y401 PolarHBondContact O-N 3.37Å; I398-Y401 VanDerWaalsContact O-N 3.08Å; Y401-A403 PolarHBondContact O-N 2.99Å; Y401-G404 WeakPolarHBondContact O-CA 3.45Å; Y401-G404 PolarHBondContact O-N 3.12Å; Y401-V405 HydrophobicContact CD1-CG2 4.43Å; Y401-V405 HydrophobicContact CE1-CG2 3.95Å; Y401-V405 HydrophobicContact CE2-CG2 4.38Å; Y401-V405 PolarHBondContact O-N 3.41Å
402L90.6Very high86.2Confident57 Ų5734.1 Ų34.130%0.29818%0.176SC..Hα-helixtrans-58.6-36.4173.8-69.6176000111.5M251 A255 I398 A399 G404 V405 I406M251-L402 HydrophobicContact CG-CD1 4.2Å; M251-L402 HydrophobicContact SD-CD1 3.97Å; A255-L402 HydrophobicContact CB-CB 3.9Å; I398-L402 HydrophobicContact CG2-CD1 4.06Å; I398-L402 HydrophobicContact CG2-CG 4.17Å; I398-L402 WeakPolarHBondContact O-CG 3.18Å; I398-L402 PolarHBondContact O-N 3.46Å; A399-L402 PolarHBondContact O-N 3.4Å; L402-G404 VanDerWaalsContact C-N 3.33Å; L402-G404 PolarHBondContact O-N 2.79Å; L402-V405 PolarHBondContact O-N 3.15Å; L402-I406 WeakPolarHBondContact O-CB 3.5Å; L402-I406 WeakPolarHBondContact O-CD1 3.3Å; L402-I406 VanDerWaalsContact O-CG1 3.23Å; L402-I406 WeakPolarHBondContact O-CG1 3.43Å; L402-I406 PolarHBondContact O-N 3.13Å
403A90.9Very high84.7Confident3 Ų335 Ų353%0.02519%0.194CC..Hα-helixtrans-61.2-42.6174.500000111.6A255 Q258 Q259 A399 N400 Y401 I406 A407A255-A403 WeakPolarHBondContact O-CB 3.41Å; Q258-A403 HydrophobicContact CB-CB 3.8Å; Q259-A403 VanDerWaalsContact NE2-CA 3.26Å; Q259-A403 PolarHBondContact NE2-O 3.31Å; A399-A403 WeakPolarHBondContact O-CB 3.41Å; A399-A403 PolarHBondContact O-N 3.11Å; N400-A403 WeakPolarHBondContact O-CB 3.36Å; N400-A403 PolarHBondContact O-N 3.01Å; Y401-A403 PolarHBondContact O-N 2.99Å; A403-I406 PolarHBondContact O-N 3.4Å; A403-A407 VanDerWaalsContact O-CB 3.28Å; A403-A407 WeakPolarHBondContact O-CB 3.34Å; A403-A407 PolarHBondContact O-N 3.37Å
404G88.2Confident82.7Confident7 Ų738.7 Ų38.77%0.07222%0.221CC..Hα-helixtrans-59.8-45.9173.300000112.9N400 Y401 L402 A407 D408N400-G404 PolarHBondContact O-N 3.36Å; N400-G404 VanDerWaalsContact O-N 3.08Å; Y401-G404 WeakPolarHBondContact O-CA 3.45Å; Y401-G404 PolarHBondContact O-N 3.12Å; L402-G404 VanDerWaalsContact C-N 3.33Å; L402-G404 PolarHBondContact O-N 2.79Å; G404-A407 WeakPolarHBondContact O-CB 3.37Å; G404-A407 PolarHBondContact O-N 3.37Å; G404-D408 PolarHBondContact O-N 2.97Å
405V88.6Confident80.2Confident49 Ų4947.5 Ų47.530%0.29727%0.266SS..Hα-helixtrans-62.7-44.5177.9176.20000111.7Y401 L402 A407 D408 Q409Y401-V405 HydrophobicContact CD1-CG2 4.43Å; Y401-V405 HydrophobicContact CE1-CG2 3.95Å; Y401-V405 HydrophobicContact CE2-CG2 4.38Å; Y401-V405 PolarHBondContact O-N 3.41Å; L402-V405 PolarHBondContact O-N 3.15Å; V405-A407 VanDerWaalsContact C-N 3.32Å; V405-A407 PolarHBondContact O-N 3.02Å; V405-D408 PolarHBondContact O-N 2.84Å; V405-Q409 WeakPolarHBondContact O-CG 3.26Å; V405-Q409 PolarHBondContact O-N 3.32Å
406I89.2Confident79.8Confident43 Ų4349.5 Ų49.522%0.22128%0.277CS..Hα-helixtrans-63-41.8176.5-67.3163.7000110.1A255 F256 L402 A403 Q409 T410A255-I406 HydrophobicContact CB-CD1 4.35Å; F256-I406 HydrophobicContact CE1-CD1 4.18Å; F256-I406 HydrophobicContact CZ-CD1 4.4Å; L402-I406 WeakPolarHBondContact O-CB 3.5Å; L402-I406 WeakPolarHBondContact O-CD1 3.3Å; L402-I406 VanDerWaalsContact O-CG1 3.23Å; L402-I406 WeakPolarHBondContact O-CG1 3.43Å; L402-I406 PolarHBondContact O-N 3.13Å; A403-I406 PolarHBondContact O-N 3.4Å; I406-Q409 PolarHBondContact O-N 2.88Å; I406-T410 WeakPolarHBondContact O-CG2 3.13Å; I406-T410 PolarHBondContact O-N 2.91Å; I406-T410 PolarHBondContact O-OG1 3.24Å
407A86.4Confident79.3Confident0 Ų051.9 Ų51.90%029%0.29CS..Hα-helixtrans-62.9-44.5178.800000111.9Y21 A403 G404 V405 T410 S411Y21-A407 HydrophobicContact CD1-CB 3.56Å; Y21-A407 HydrophobicContact CD2-CB 4.05Å; Y21-A407 HydrophobicContact CE1-CB 3.66Å; Y21-A407 HydrophobicContact CE2-CB 4.14Å; Y21-A407 HydrophobicContact CG-CB 3.78Å; A403-A407 VanDerWaalsContact O-CB 3.28Å; A403-A407 WeakPolarHBondContact O-CB 3.34Å; A403-A407 PolarHBondContact O-N 3.37Å; G404-A407 WeakPolarHBondContact O-CB 3.37Å; G404-A407 PolarHBondContact O-N 3.37Å; V405-A407 VanDerWaalsContact C-N 3.32Å; V405-A407 PolarHBondContact O-N 3.02Å; A407-T410 WeakPolarHBondContact CA-OG1 3.43Å; A407-T410 PolarHBondContact O-N 2.79Å; A407-T410 PolarHBondContact O-OG1 3.45Å; A407-S411 PolarHBondContact O-N 3.49Å; A407-S411 VanDerWaalsContact O-N 3.07Å
408D85.3Confident78.9Confident26 Ų2654.8 Ų54.814%0.13931%0.306CS..Hα-helixtrans-60.2-47.2175.6-178.950.2000111.6T18 Y21 G404 V405 T410 S411 Q412T18-D408 WeakPolarHBondContact CA-OD1 3.49Å; T18-D408 VanDerWaalsContact CB-OD1 3.24Å; T18-D408 WeakPolarHBondContact CB-OD1 2.89Å; T18-D408 WeakPolarHBondContact CG2-OD1 3.25Å; T18-D408 PolarHBondContact OG1-OD1 3.48Å; Y21-D408 HydrophobicContact CD2-CB 4.39Å; G404-D408 PolarHBondContact O-N 2.97Å; V405-D408 PolarHBondContact O-N 2.84Å; D408-T410 VanDerWaalsContact C-N 3.29Å; D408-T410 PolarHBondContact O-N 3.04Å; D408-S411 PolarHBondContact O-N 3.19Å; D408-S411 PolarHBondContact O-OG 2.97Å; D408-Q412 PolarHBondContact O-N 2.91Å; D408-Q412 PolarHBondContact OD1-NE2 2.78Å; D408-Q412 PolarHBondContact OD2-NE2 3.42Å
409Q85.1Confident78.2Confident124 Ų12456.7 Ų56.758%0.57932%0.317SS*.Hα-helixtrans-59-38.5175.9-72.8179.2-1.800113V405 I406 S411 A413V405-Q409 WeakPolarHBondContact O-CG 3.26Å; V405-Q409 PolarHBondContact O-N 3.32Å; I406-Q409 PolarHBondContact O-N 2.88Å; Q409-S411 VanDerWaalsContact C-N 3.31Å; Q409-S411 PolarHBondContact O-N 3.06Å; Q409-A413 PolarHBondContact O-N 3.12Å
410T78.8Confident77.4Confident71 Ų7160.3 Ų60.344%0.43634%0.337SS..Hα-helixtrans-68.4-30.5176.355.60000113I406 A407 D408 S414I406-T410 WeakPolarHBondContact O-CG2 3.13Å; I406-T410 PolarHBondContact O-N 2.91Å; I406-T410 PolarHBondContact O-OG1 3.24Å; A407-T410 WeakPolarHBondContact CA-OG1 3.43Å; A407-T410 PolarHBondContact O-N 2.79Å; A407-T410 PolarHBondContact O-OG1 3.45Å; D408-T410 VanDerWaalsContact C-N 3.29Å; D408-T410 PolarHBondContact O-N 3.04Å; T410-S414 PolarHBondContact O-OG 3.14Å
411S72.1Confident76.5Confident14 Ų1464.1 Ų64.110%0.09836%0.358CS..Hα-helixtrans-74.9-38.8176.970.70000112.8A407 D408 Q409 A413 S414A407-S411 PolarHBondContact O-N 3.49Å; A407-S411 VanDerWaalsContact O-N 3.07Å; D408-S411 PolarHBondContact O-N 3.19Å; D408-S411 PolarHBondContact O-OG 2.97Å; Q409-S411 VanDerWaalsContact C-N 3.31Å; Q409-S411 PolarHBondContact O-N 3.06Å; S411-A413 VanDerWaalsContact C-N 3.31Å; S411-A413 PolarHBondContact O-N 3.3Å; S411-S414 WeakPolarHBondContact CA-OG 2.95Å; S411-S414 PolarHBondContact O-N 3.27Å; S411-S414 PolarHBondContact O-OG 2.85Å
412Q64.9Low75.5Confident109 Ų10963.1 Ų63.151%0.50936%0.362SS..Hα-helixtrans-68-32.5176.8-67.8177.414.800112.3D408 S414 I415D408-Q412 PolarHBondContact O-N 2.91Å; D408-Q412 PolarHBondContact OD1-NE2 2.78Å; D408-Q412 PolarHBondContact OD2-NE2 3.42Å; Q412-S414 PolarHBondContact O-N 2.96Å; Q412-I415 PolarHBondContact O-N 3.12Å
413A54.9Low74.4Confident85 Ų8563.6 Ų63.670%0.70237%0.367SS*.THydrogen-bonded Turntrans-72.9-9.9176.600000114Q409 S411Q409-A413 PolarHBondContact O-N 3.12Å; S411-A413 VanDerWaalsContact C-N 3.31Å; S411-A413 PolarHBondContact O-N 3.3Å
414S45.2Very low73Confident94 Ų9468.7 Ų68.766%0.65740%0.396SS*.THydrogen-bonded Turntrans-97.5-4.2177.423.20000113.8T410 S411 Q412T410-S414 PolarHBondContact O-OG 3.14Å; S411-S414 WeakPolarHBondContact CA-OG 2.95Å; S411-S414 PolarHBondContact O-N 3.27Å; S411-S414 PolarHBondContact O-OG 2.85Å; Q412-S414 PolarHBondContact O-N 2.96Å
415I37.6Very low71.6Confident202 Ų20274.3 Ų74.3100%1.03643%0.425SS*.  trans-92.10165.1-52.4176.8000107.9Q412Q412-I415 PolarHBondContact O-N 3.12Å

Retrieved 415 of 415 residues in 124.5 ms (Link to these results)

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