A0A096LXV8_POEFO Loading...

Peroxisomal biogenesis factor 11 alpha

AlphaFold DB , UniProt , Accession A0A096LXV8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 247 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
1M54.6Low64.5Low193 Ų193100.8 Ų100.895%0.95154%0.535SS*.  0-43.60-165.4167177.500111.4D3 A4 V5M1-D3 PolarHBondContact O-N 3.38Å; M1-A4 PolarHBondContact O-N 3.03Å; M1-V5 WeakPolarHBondContact O-CG2 3.46Å; M1-V5 PolarHBondContact O-N 3.5Å
2M57.5Low65.8Low155 Ų15596.3 Ų96.376%0.76452%0.518SS*.Hα-helixtrans-60.6-43.3179.3-145.3154.9-156.500113.7A4 V5 L6M2-A4 VanDerWaalsContact C-N 3.33Å; M2-A4 PolarHBondContact O-N 3.03Å; M2-V5 PolarHBondContact O-N 3.11Å; M2-L6 HydrophobicContact CG-CD1 4.3Å; M2-L6 PolarHBondContact O-N 3.42Å
3D62.3Low67Low130 Ų13096.1 Ų96.170%0.69551%0.511SS*.Hα-helixtrans-65.3-33.1178.3-59.1-39.5000113.9M1 K7M1-D3 PolarHBondContact O-N 3.38Å; D3-K7 WeakPolarHBondContact O-CB 3.16Å; D3-K7 PolarHBondContact O-N 2.74Å
4A63.3Low68.3Low44 Ų4489.2 Ų89.236%0.36448%0.475SS..Hα-helixtrans-69.4-37.7175.800000111.2M1 M2 F8M1-A4 PolarHBondContact O-N 3.03Å; M2-A4 VanDerWaalsContact C-N 3.33Å; M2-A4 PolarHBondContact O-N 3.03Å; A4-F8 WeakPolarHBondContact O-CB 3.37Å; A4-F8 PolarHBondContact O-N 2.93Å
5V62.8Low69.6Low83 Ų8391.6 Ų91.650%0.50348%0.475SS..Hα-helixtrans-69.5-42.1175.3175.20000111M1 M2 F8 A9M1-V5 WeakPolarHBondContact O-CG2 3.46Å; M1-V5 PolarHBondContact O-N 3.5Å; M2-V5 PolarHBondContact O-N 3.11Å; V5-F8 WeakPolarHBondContact O-CB 3.46Å; V5-F8 PolarHBondContact O-N 3.31Å; V5-A9 WeakPolarHBondContact O-CB 3.49Å; V5-A9 PolarHBondContact O-N 3.35Å
6L60.6Low70.9Confident94 Ų9486.8 Ų86.849%0.49245%0.45SS..Hα-helixtrans-63.5-44.9174.6-89149000112.1M2 F8 A9 N10M2-L6 HydrophobicContact CG-CD1 4.3Å; M2-L6 PolarHBondContact O-N 3.42Å; L6-F8 VanDerWaalsContact C-N 3.32Å; L6-F8 PolarHBondContact O-N 2.97Å; L6-A9 PolarHBondContact O-N 2.96Å; L6-N10 WeakPolarHBondContact O-CB 3.44Å; L6-N10 PolarHBondContact O-N 2.74Å; L6-N10 PolarHBondContact O-ND2 3.04Å
7K66.3Low72.1Confident145 Ų14584.8 Ų84.863%0.6344%0.435SS*.Hα-helixtrans-64.8-36.7175.5-168.3172.9-176.3174.20111.9D3 Q11D3-K7 WeakPolarHBondContact O-CB 3.16Å; D3-K7 PolarHBondContact O-N 2.74Å; K7-Q11 VanDerWaalsContact O-CG 3.25Å; K7-Q11 WeakPolarHBondContact O-CG 3.46Å; K7-Q11 PolarHBondContact O-N 3.22Å
8F67.2Low73.2Confident23 Ų2383.2 Ų83.210%0.10143%0.43CS..Hα-helixtrans-64-47.3172.8169.8-90.1000111.9A4 V5 L6 N10 Q11 G14 V18 I235 L238A4-F8 WeakPolarHBondContact O-CB 3.37Å; A4-F8 PolarHBondContact O-N 2.93Å; V5-F8 WeakPolarHBondContact O-CB 3.46Å; V5-F8 PolarHBondContact O-N 3.31Å; L6-F8 VanDerWaalsContact C-N 3.32Å; L6-F8 PolarHBondContact O-N 2.97Å; F8-N10 VanDerWaalsContact C-N 3.28Å; F8-N10 PolarHBondContact O-N 3.38Å; F8-Q11 PolarHBondContact O-N 2.99Å; F8-Q11 VanDerWaalsContact O-N 3.16Å; F8-G14 VanDerWaalsContact CE2-CA 3.49Å; F8-G14 WeakPolarHBondContact CZ-O 3.44Å; F8-V18 HydrophobicContact CE1-CG2 3.6Å; F8-V18 HydrophobicContact CZ-CG2 3.73Å; F8-I235 HydrophobicContact CE1-CG2 4.48Å; F8-I235 HydrophobicContact CE2-CB 4.36Å; F8-I235 HydrophobicContact CE2-CG1 4.36Å; F8-I235 HydrophobicContact CE2-CG2 3.99Å; F8-I235 HydrophobicContact CZ-CB 4.31Å; F8-I235 HydrophobicContact CZ-CG1 4Å; F8-I235 HydrophobicContact CZ-CG2 3.79Å; F8-L238 HydrophobicContact CD2-CB 4.04Å; F8-L238 HydrophobicContact CD2-CD2 3.64Å; F8-L238 HydrophobicContact CD2-CG 3.88Å; F8-L238 HydrophobicContact CE2-CB 4.17Å; F8-L238 HydrophobicContact CE2-CD2 3.73Å; F8-L238 HydrophobicContact CE2-CG 4.27Å
9A63.7Low74.3Confident48 Ų4882.3 Ų82.340%0.39742%0.423SS..Hα-helixtrans-63.7-34.5179.900000112.5V5 L6 Q11 R15V5-A9 WeakPolarHBondContact O-CB 3.49Å; V5-A9 PolarHBondContact O-N 3.35Å; L6-A9 PolarHBondContact O-N 2.96Å; A9-Q11 VanDerWaalsContact C-N 3.31Å; A9-Q11 PolarHBondContact O-N 2.89Å; A9-R15 WeakPolarHBondContact O-CG 3.26Å
10N71.6Confident75.4Confident127 Ų12778.8 Ų78.868%0.67940%0.404SS*.Hα-helixtrans-76.6-15.1177.8-73.3-20.9000113.7L6 F8L6-N10 WeakPolarHBondContact O-CB 3.44Å; L6-N10 PolarHBondContact O-N 2.74Å; L6-N10 PolarHBondContact O-ND2 3.04Å; F8-N10 VanDerWaalsContact C-N 3.28Å; F8-N10 PolarHBondContact O-N 3.38Å
11Q79.4Confident76.4Confident67 Ų6775.6 Ų75.631%0.31339%0.389SS..SBendtrans-84.3130.9176.9-75.4171.814.800111.2K7 F8 A9 Q13 G14 R15K7-Q11 VanDerWaalsContact O-CG 3.25Å; K7-Q11 WeakPolarHBondContact O-CG 3.46Å; K7-Q11 PolarHBondContact O-N 3.22Å; F8-Q11 PolarHBondContact O-N 2.99Å; F8-Q11 VanDerWaalsContact O-N 3.16Å; A9-Q11 VanDerWaalsContact C-N 3.31Å; A9-Q11 PolarHBondContact O-N 2.89Å; Q11-Q13 PolarHBondContact O-N 3.49Å; Q11-G14 PolarHBondContact O-N 3.44Å; Q11-R15 PolarHBondContact O-N 3.18Å; Q11-R15 VanDerWaalsContact O-N 3.14Å
12S80.4Confident78.3Confident46 Ų4668.8 Ų68.832%0.32236%0.358SS..Hα-helixtrans-53.2-38.6172-1720000112R15 D16S12-R15 PolarHBondContact O-N 3.2Å; S12-D16 PolarHBondContact O-N 3.3Å
13Q81.4Confident80.2Confident94 Ų9462.2 Ų62.244%0.43933%0.326SS..Hα-helixtrans-65.1-38.9176.2-66-172.56.400112.8Q11 D16 R17 L238Q11-Q13 PolarHBondContact O-N 3.49Å; Q13-D16 PolarHBondContact O-N 3.12Å; Q13-R17 VanDerWaalsContact O-CG 3.26Å; Q13-R17 WeakPolarHBondContact O-CG 3.3Å; Q13-R17 PolarHBondContact O-N 2.9Å; Q13-R17 VanDerWaalsContact O-N 3.13Å; Q13-L238 HydrophobicContact CB-CD2 4.28Å
14G84.7Confident81.8Confident0 Ų057.2 Ų57.20%030%0.297CS..Hα-helixtrans-62.5-44.5176.100000111.5F8 Q11 R17 V18F8-G14 VanDerWaalsContact CE2-CA 3.49Å; F8-G14 WeakPolarHBondContact CZ-O 3.44Å; Q11-G14 PolarHBondContact O-N 3.44Å; G14-R17 PolarHBondContact O-N 3.39Å; G14-V18 WeakPolarHBondContact O-CG2 3.35Å; G14-V18 PolarHBondContact O-N 3Å
15R88.4Confident83.4Confident125 Ų12556.7 Ų56.747%0.47229%0.293SS..Hα-helixtrans-61.6-44.2176.1-63.2-173.7-65.4-172.6-0.6113A9 Q11 S12 R17 V18 F19 L60A9-R15 WeakPolarHBondContact O-CG 3.26Å; Q11-R15 PolarHBondContact O-N 3.18Å; Q11-R15 VanDerWaalsContact O-N 3.14Å; S12-R15 PolarHBondContact O-N 3.2Å; R15-R17 VanDerWaalsContact C-N 3.29Å; R15-R17 PolarHBondContact O-N 2.92Å; R15-V18 PolarHBondContact O-N 3.23Å; R15-F19 PolarHBondContact O-N 2.81Å; R15-L60 HydrophobicContact CB-CD1 3.83Å
16D90.6Very high84.9Confident14 Ų1453.1 Ų53.18%0.07527%0.271CS..Hα-helixtrans-61.1-37.4175.7173.275.8000111.8S12 Q13 F19 R20 R57 L60 R61S12-D16 PolarHBondContact O-N 3.3Å; Q13-D16 PolarHBondContact O-N 3.12Å; D16-F19 PolarHBondContact O-N 3.38Å; D16-R20 VanDerWaalsContact O-CB 3.31Å; D16-R20 WeakPolarHBondContact O-CB 3.3Å; D16-R20 PolarHBondContact O-N 3.36Å; D16-R57 VanDerWaalsContact OD1-CB 3.32Å; D16-R57 WeakPolarHBondContact OD1-CB 3.22Å; D16-R57 WeakPolarHBondContact OD1-CG 3.27Å; D16-R57 IonicContact OD1-NE 2.74Å; D16-R57 PolarHBondContact OD1-NE 3.46Å; D16-L60 HydrophobicContact CB-CB 4.25Å; D16-L60 HydrophobicContact CB-CD1 4.26Å; D16-R61 IonicContact OD1-NE 3.21Å; D16-R61 PolarHBondContact OD1-NE 2.82Å
17R90.8Very high86.6Confident54 Ų5449.5 Ų49.520%0.20426%0.255CS..Hα-helixtrans-68.4-39.8178-65.1-65.8178.3-165.9-3.3112.7Q13 G14 R15 R20 A21 I235Q13-R17 VanDerWaalsContact O-CG 3.26Å; Q13-R17 WeakPolarHBondContact O-CG 3.3Å; Q13-R17 PolarHBondContact O-N 2.9Å; Q13-R17 VanDerWaalsContact O-N 3.13Å; G14-R17 PolarHBondContact O-N 3.39Å; R15-R17 VanDerWaalsContact C-N 3.29Å; R15-R17 PolarHBondContact O-N 2.92Å; R17-R20 WeakPolarHBondContact O-CB 3.24Å; R17-R20 PolarHBondContact O-N 3.08Å; R17-A21 PolarHBondContact O-N 2.87Å; R17-I235 HydrophobicContact CB-CG1 3.78Å
18V92.4Very high88Confident56 Ų5644 Ų4434%0.33923%0.232SC..Hα-helixtrans-62.9-48173.6175.10000110.2F8 G14 R15 R20 A21 T22 I235F8-V18 HydrophobicContact CE1-CG2 3.6Å; F8-V18 HydrophobicContact CZ-CG2 3.73Å; G14-V18 WeakPolarHBondContact O-CG2 3.35Å; G14-V18 PolarHBondContact O-N 3Å; R15-V18 PolarHBondContact O-N 3.23Å; V18-R20 PolarHBondContact O-N 3.04Å; V18-A21 PolarHBondContact O-N 3.26Å; V18-A21 VanDerWaalsContact O-N 3.14Å; V18-T22 PolarHBondContact O-N 2.84Å; V18-T22 PolarHBondContact O-OG1 3.38Å; V18-I235 HydrophobicContact CG2-CD1 4.38Å
19F94.3Very high89.3Confident66 Ų6645.1 Ų45.129%0.28924%0.243SC..Hα-helixtrans-62-36.5177.8-72.69.3000111.5R15 D16 Q23 M53 R57 L60R15-F19 PolarHBondContact O-N 2.81Å; D16-F19 PolarHBondContact O-N 3.38Å; F19-Q23 VanDerWaalsContact O-CB 3.26Å; F19-Q23 WeakPolarHBondContact O-CB 2.97Å; F19-Q23 PolarHBondContact O-N 2.91Å; F19-M53 HydrophobicContact CB-SD 4.3Å; F19-M53 HydrophobicContact CD1-SD 3.94Å; F19-M53 HydrophobicContact CE1-SD 4.39Å; F19-M53 HydrophobicContact CG-SD 4.03Å; F19-R57 HydrophobicContact CB-CG 3.46Å; F19-R57 VanDerWaalsContact CB-CG 3.46Å; F19-R57 HydrophobicContact CD2-CG 4.33Å; F19-R57 HydrophobicContact CG-CG 4.44Å; F19-L60 HydrophobicContact CD2-CD1 3.85Å; F19-L60 HydrophobicContact CE2-CD1 3.92Å
20R94.9Very high90.8Very high12 Ų1243.9 Ų43.95%0.04523%0.23CC..Hα-helixtrans-61.7-47.8173.9-168.9-177.9-179.8162.36.9111.2D16 R17 V18 Q23 Y24 R57 D205 S231D16-R20 VanDerWaalsContact O-CB 3.31Å; D16-R20 WeakPolarHBondContact O-CB 3.3Å; D16-R20 PolarHBondContact O-N 3.36Å; R17-R20 WeakPolarHBondContact O-CB 3.24Å; R17-R20 PolarHBondContact O-N 3.08Å; V18-R20 PolarHBondContact O-N 3.04Å; R20-Q23 PolarHBondContact O-N 3.33Å; R20-Y24 HydrophobicContact CG-CD2 3.72Å; R20-Y24 HydrophobicContact CG-CE2 3.65Å; R20-Y24 VanDerWaalsContact O-CD2 3.25Å; R20-Y24 WeakPolarHBondContact O-CD2 3.27Å; R20-Y24 PolarHBondContact O-N 3.43Å; R20-R57 VanDerWaalsContact CB-CZ 3.49Å; R20-R57 VanDerWaalsContact CD-NH2 3.28Å; R20-R57 VanDerWaalsContact CG-NH2 3.28Å; R20-D205 IonicContact CZ-OD1 2.87Å; R20-D205 VanDerWaalsContact CZ-OD1 3.28Å; R20-D205 IonicContact CZ-OD2 2.64Å; R20-D205 IonicContact NH1-OD1 3.39Å; R20-D205 PolarHBondContact NH1-OD1 3.35Å; R20-D205 IonicContact NH1-OD2 2.77Å; R20-D205 PolarHBondContact NH1-OD2 2.99Å; R20-D205 VanDerWaalsContact NH2-CG 3.29Å; R20-D205 IonicContact NH2-OD1 3.55Å; R20-D205 PolarHBondContact NH2-OD1 2.99Å; R20-D205 IonicContact NH2-OD2 3.48Å; R20-D205 PolarHBondContact NH2-OD2 3.25Å; R20-S231 WeakPolarHBondContact CD-OG 3.42Å; R20-S231 WeakPolarHBondContact CG-OG 3.41Å
21A96.3Very high91.9Very high11 Ų1140.8 Ų40.89%0.09121%0.209CC..Hα-helixtrans-60.5-48.4178.200000111.3R17 V18 Q23 Y24 A25 L228 I235R17-A21 PolarHBondContact O-N 2.87Å; V18-A21 PolarHBondContact O-N 3.26Å; V18-A21 VanDerWaalsContact O-N 3.14Å; A21-Q23 VanDerWaalsContact C-N 3.35Å; A21-Q23 PolarHBondContact O-N 2.87Å; A21-Y24 PolarHBondContact O-N 3.26Å; A21-A25 VanDerWaalsContact O-CB 3.3Å; A21-A25 WeakPolarHBondContact O-CB 3.5Å; A21-A25 PolarHBondContact O-N 2.65Å; A21-L228 HydrophobicContact CB-CD1 4.28Å; A21-L228 WeakPolarHBondContact O-CD1 3.48Å; A21-I235 HydrophobicContact CB-CD1 3.99Å
22T95.7Very high92.5Very high50 Ų5043.1 Ų43.131%0.30722%0.223SC..Hα-helixtrans-61-43.3177.6-54.10000111.8V18 A25 C26 L49 M53V18-T22 PolarHBondContact O-N 2.84Å; V18-T22 PolarHBondContact O-OG1 3.38Å; T22-A25 PolarHBondContact O-N 2.96Å; T22-C26 PolarHBondContact O-N 2.79Å; T22-C26 PolarHBondContact O-SG 3.34Å; T22-L49 HydrophobicContact CG2-CD2 4.47Å; T22-M53 HydrophobicContact CG2-CG 3.9Å; T22-M53 HydrophobicContact CG2-SD 4.16Å
23Q96.7Very high93.1Very high18 Ų1842.5 Ų42.58%0.08422%0.216CC..Hα-helixtrans-57.5-52176.8-175.9-170-13.800111.4F19 R20 A21 C26 A27 E50 M53F19-Q23 VanDerWaalsContact O-CB 3.26Å; F19-Q23 WeakPolarHBondContact O-CB 2.97Å; F19-Q23 PolarHBondContact O-N 2.91Å; R20-Q23 PolarHBondContact O-N 3.33Å; A21-Q23 VanDerWaalsContact C-N 3.35Å; A21-Q23 PolarHBondContact O-N 2.87Å; Q23-C26 WeakPolarHBondContact O-CB 3.36Å; Q23-C26 PolarHBondContact O-N 2.9Å; Q23-A27 PolarHBondContact O-N 3.17Å; Q23-E50 HydrophobicContact CG-CG 3.64Å; Q23-M53 HydrophobicContact CB-CB 3.99Å
24Y96.4Very high93.5Very high25 Ų2544.4 Ų44.410%0.09822%0.219CC..Hα-helixtrans-72.9-29-177.8-76.6-66.6000113.3R20 A21 C26 A27 L28 I208 V223 G224 G227R20-Y24 HydrophobicContact CG-CD2 3.72Å; R20-Y24 HydrophobicContact CG-CE2 3.65Å; R20-Y24 VanDerWaalsContact O-CD2 3.25Å; R20-Y24 WeakPolarHBondContact O-CD2 3.27Å; R20-Y24 PolarHBondContact O-N 3.43Å; A21-Y24 PolarHBondContact O-N 3.26Å; Y24-C26 VanDerWaalsContact C-N 3.34Å; Y24-A27 PolarHBondContact O-N 3.48Å; Y24-L28 WeakPolarHBondContact O-CB 3.44Å; Y24-L28 PolarHBondContact O-N 2.91Å; Y24-I208 HydrophobicContact CE1-CD1 4.44Å; Y24-I208 HydrophobicContact CE2-CD1 4.45Å; Y24-I208 VanDerWaalsContact OH-CD1 3.24Å; Y24-I208 WeakPolarHBondContact OH-CD1 3.39Å; Y24-V223 HydrophobicContact CE1-CG1 4.32Å; Y24-G224 WeakPolarHBondContact CB-O 3.37Å; Y24-G227 WeakPolarHBondContact CD2-O 3.49Å
25A96.6Very high93.7Very high33 Ų3350.7 Ų50.727%0.27325%0.252SS..Hα-helixtrans-63.1-40.9168.900000111.6A21 T22 S29 L228A21-A25 VanDerWaalsContact O-CB 3.3Å; A21-A25 WeakPolarHBondContact O-CB 3.5Å; A21-A25 PolarHBondContact O-N 2.65Å; T22-A25 PolarHBondContact O-N 2.96Å; A25-S29 WeakPolarHBondContact O-CB 3.3Å; A25-S29 PolarHBondContact O-N 2.97Å; A25-S29 PolarHBondContact O-OG 2.9Å; A25-L228 HydrophobicContact CB-CD1 4.09Å; A25-L228 HydrophobicContact CB-CD2 4.36Å
26C95.6Very high93.8Very high7 Ų750.6 Ų50.65%0.04726%0.255CS..Hα-helixtrans-63.8-48173.3-65.90000111T22 Q23 Y24 L28 S29 I30 E50T22-C26 PolarHBondContact O-N 2.79Å; T22-C26 PolarHBondContact O-SG 3.34Å; Q23-C26 WeakPolarHBondContact O-CB 3.36Å; Q23-C26 PolarHBondContact O-N 2.9Å; Y24-C26 VanDerWaalsContact C-N 3.34Å; C26-L28 VanDerWaalsContact C-N 3.34Å; C26-L28 PolarHBondContact O-N 3.3Å; C26-S29 PolarHBondContact O-N 3.47Å; C26-S29 VanDerWaalsContact O-N 3.15Å; C26-I30 WeakPolarHBondContact O-CB 3.18Å; C26-I30 WeakPolarHBondContact O-CD1 3.45Å; C26-I30 VanDerWaalsContact O-CG1 3.23Å; C26-I30 WeakPolarHBondContact O-CG1 3.31Å; C26-I30 PolarHBondContact O-N 2.9Å; C26-E50 HydrophobicContact CB-CB 3.98Å
27A94.8Very high93.4Very high18 Ų1854 Ų5415%0.14928%0.278CS..Hα-helixtrans-57.9-44.2178.500000112.3Q23 Y24 I30 Y31Q23-A27 PolarHBondContact O-N 3.17Å; Y24-A27 PolarHBondContact O-N 3.48Å; A27-I30 PolarHBondContact O-N 3.5Å; A27-Y31 PolarHBondContact O-N 2.93Å; A27-Y31 VanDerWaalsContact O-N 3.07Å
28L96.1Very high93.2Very high30 Ų3058.5 Ų58.516%0.15731%0.307CS..Hα-helixtrans-64.2-44.8175.2-178.959.9000111.6Y24 C26 I30 Y31 L32 F225 L228Y24-L28 WeakPolarHBondContact O-CB 3.44Å; Y24-L28 PolarHBondContact O-N 2.91Å; C26-L28 VanDerWaalsContact C-N 3.34Å; C26-L28 PolarHBondContact O-N 3.3Å; L28-I30 PolarHBondContact O-N 3.22Å; L28-Y31 WeakPolarHBondContact O-CB 3.44Å; L28-Y31 PolarHBondContact O-N 3.47Å; L28-L32 HydrophobicContact CD1-CD1 4.45Å; L28-L32 HydrophobicContact CD1-CG 4.39Å; L28-L32 HydrophobicContact CG-CD1 4.19Å; L28-L32 WeakPolarHBondContact O-CG 3.49Å; L28-L32 PolarHBondContact O-N 3.34Å; L28-F225 HydrophobicContact CD1-CB 4.17Å; L28-F225 HydrophobicContact CD2-CB 4.32Å; L28-F225 HydrophobicContact CD2-CD2 4.15Å; L28-L228 HydrophobicContact CD2-CD2 4.28Å
29S94.8Very high93.1Very high46 Ų4662.6 Ų62.632%0.32232%0.316SS..Hα-helixtrans-62.3-42.2178.6-59.80000112A25 C26 Y31 L32 L33A25-S29 WeakPolarHBondContact O-CB 3.3Å; A25-S29 PolarHBondContact O-N 2.97Å; A25-S29 PolarHBondContact O-OG 2.9Å; C26-S29 PolarHBondContact O-N 3.47Å; C26-S29 VanDerWaalsContact O-N 3.15Å; S29-Y31 VanDerWaalsContact C-N 3.31Å; S29-Y31 PolarHBondContact O-N 2.68Å; S29-L32 PolarHBondContact O-N 2.93Å; S29-L33 WeakPolarHBondContact O-CB 3.23Å; S29-L33 VanDerWaalsContact O-CG 3.27Å; S29-L33 WeakPolarHBondContact O-CG 3.42Å; S29-L33 PolarHBondContact O-N 3.45Å
30I94.9Very high93Very high23 Ų2366.8 Ų66.812%0.11833%0.334CS..Hα-helixtrans-58.4-45.3174-70.4158.2000110.2C26 A27 L28 L33 R34 V43 L46 K47 E50C26-I30 WeakPolarHBondContact O-CB 3.18Å; C26-I30 WeakPolarHBondContact O-CD1 3.45Å; C26-I30 VanDerWaalsContact O-CG1 3.23Å; C26-I30 WeakPolarHBondContact O-CG1 3.31Å; C26-I30 PolarHBondContact O-N 2.9Å; A27-I30 PolarHBondContact O-N 3.5Å; L28-I30 PolarHBondContact O-N 3.22Å; I30-L33 PolarHBondContact O-N 3.41Å; I30-R34 PolarHBondContact O-N 2.82Å; I30-R34 VanDerWaalsContact O-N 3.1Å; I30-V43 HydrophobicContact CG2-CG1 4.13Å; I30-L46 HydrophobicContact CD1-CB 3.96Å; I30-L46 HydrophobicContact CG1-CB 3.63Å; I30-L46 HydrophobicContact CG1-CD1 4.27Å; I30-K47 HydrophobicContact CD1-CB 4.36Å; I30-K47 HydrophobicContact CD1-CG 3.63Å; I30-K47 HydrophobicContact CG1-CG 4.27Å; I30-E50 WeakPolarHBondContact CD1-OE2 3.28Å
31Y94.3Very high92.8Very high62 Ų6270.7 Ų70.724%0.24336%0.356CS..Hα-helixtrans-62.8-43.9178.1-180-98000112.3A27 L28 S29 L33 R34 A220 G221A27-Y31 PolarHBondContact O-N 2.93Å; A27-Y31 VanDerWaalsContact O-N 3.07Å; L28-Y31 WeakPolarHBondContact O-CB 3.44Å; L28-Y31 PolarHBondContact O-N 3.47Å; S29-Y31 VanDerWaalsContact C-N 3.31Å; S29-Y31 PolarHBondContact O-N 2.68Å; Y31-L33 VanDerWaalsContact C-N 3.32Å; Y31-L33 PolarHBondContact O-N 3.44Å; Y31-R34 VanDerWaalsContact CG-NH1 3.29Å; Y31-R34 VanDerWaalsContact CZ-CZ 3.44Å; Y31-R34 VanDerWaalsContact CZ-NH2 3.34Å; Y31-R34 WeakPolarHBondContact O-CD 3.47Å; Y31-R34 VanDerWaalsContact O-CG 3.24Å; Y31-R34 WeakPolarHBondContact O-CG 3.49Å; Y31-R34 PolarHBondContact O-N 3.47Å; Y31-R34 PolarHBondContact O-NH1 2.98Å; Y31-R34 PolarHBondContact OH-NH2 3.02Å; Y31-R34 VanDerWaalsContact OH-NH2 3.09Å; Y31-A220 HydrophobicContact CD2-CB 4.02Å; Y31-G221 VanDerWaalsContact CD2-N 3.25Å
32L93.4Very high92.7Very high116 Ų11673.5 Ų73.561%0.60737%0.369SS*.Hα-helixtrans-67.5-31.3178.9-67.5174.3000112.8L28 S29L28-L32 HydrophobicContact CD1-CD1 4.45Å; L28-L32 HydrophobicContact CD1-CG 4.39Å; L28-L32 HydrophobicContact CG-CD1 4.19Å; L28-L32 WeakPolarHBondContact O-CG 3.49Å; L28-L32 PolarHBondContact O-N 3.34Å; S29-L32 PolarHBondContact O-N 2.93Å
33L93.2Very high92.6Very high33 Ų3372.1 Ų72.117%0.17336%0.36CS..Hα-helixtrans-89.6-5.5-179-67.8169.7000113.9S29 I30 Y31 N35 K36 R39 L42 V43 L46S29-L33 WeakPolarHBondContact O-CB 3.23Å; S29-L33 VanDerWaalsContact O-CG 3.27Å; S29-L33 WeakPolarHBondContact O-CG 3.42Å; S29-L33 PolarHBondContact O-N 3.45Å; I30-L33 PolarHBondContact O-N 3.41Å; Y31-L33 VanDerWaalsContact C-N 3.32Å; Y31-L33 PolarHBondContact O-N 3.44Å; L33-N35 PolarHBondContact O-N 3.19Å; L33-N35 VanDerWaalsContact O-N 3.12Å; L33-K36 HydrophobicContact CD2-CD 4.22Å; L33-K36 PolarHBondContact O-N 2.85Å; L33-R39 HydrophobicContact CD2-CB 4.49Å; L33-R39 HydrophobicContact CD2-CG 4.41Å; L33-L42 HydrophobicContact CD1-CD2 3.82Å; L33-L42 HydrophobicContact CD1-CG 4.3Å; L33-V43 HydrophobicContact CB-CG2 3.87Å; L33-L46 HydrophobicContact CD1-CD1 3.87Å
34R88.7Confident92.5Very high133 Ų13373.9 Ų73.950%0.50238%0.378SS..THydrogen-bonded Turntrans-59-30.3-170.578.6-176.4-179.8-95.815115I30 Y31I30-R34 PolarHBondContact O-N 2.82Å; I30-R34 VanDerWaalsContact O-N 3.1Å; Y31-R34 VanDerWaalsContact CG-NH1 3.29Å; Y31-R34 VanDerWaalsContact CZ-CZ 3.44Å; Y31-R34 VanDerWaalsContact CZ-NH2 3.34Å; Y31-R34 WeakPolarHBondContact O-CD 3.47Å; Y31-R34 VanDerWaalsContact O-CG 3.24Å; Y31-R34 WeakPolarHBondContact O-CG 3.49Å; Y31-R34 PolarHBondContact O-N 3.47Å; Y31-R34 PolarHBondContact O-NH1 2.98Å; Y31-R34 PolarHBondContact OH-NH2 3.02Å; Y31-R34 VanDerWaalsContact OH-NH2 3.09Å
35N89.4Confident92.4Very high132 Ų13280.6 Ų80.671%0.70640%0.403SS*.THydrogen-bonded Turntrans-91.42.9-178.1-68.3-12.6000113L33 P37L33-N35 PolarHBondContact O-N 3.19Å; L33-N35 VanDerWaalsContact O-N 3.12Å; N35-P37 WeakPolarHBondContact O-CD 3.48Å
36K90.4Very high92.3Very high123 Ų12380.4 Ų80.454%0.53540%0.398SS..  trans-103100.4-178.4-63.5-168.5-180-175.50110.3L33 D38 R39L33-K36 HydrophobicContact CD2-CD 4.22Å; L33-K36 PolarHBondContact O-N 2.85Å; K36-D38 PolarHBondContact O-N 3.41Å; K36-R39 HydrophobicContact CB-CB 4.33Å; K36-R39 HydrophobicContact CB-CG 4.19Å; K36-R39 PolarHBondContact O-N 3.35Å; K36-R39 VanDerWaalsContact O-N 3.15Å
37P81.1Confident92.3Very high86 Ų8685.2 Ų85.256%0.55842%0.418SS*.G310 helixtrans-62.1-29.7-175.624.5-33.1000113N35 R39 K40N35-P37 WeakPolarHBondContact O-CD 3.48Å; P37-R39 PolarHBondContact O-N 3.45Å; P37-K40 VanDerWaalsContact O-CG 3.31Å; P37-K40 WeakPolarHBondContact O-CG 3.36Å
38D87.6Confident92.4Very high149 Ų14987.5 Ų87.580%0.79743%0.432SS*.G310 helixtrans-72.5-7.9-179.4-52.3-34.4000114K36K36-D38 PolarHBondContact O-N 3.41Å
39R90.8Very high92.4Very high142 Ų14289.4 Ų89.454%0.53644%0.443SS..G310 helixtrans-112.417.1-175.9-59.4-62-173.6171.20.8113.1L33 K36 P37 D41 L42 V43L33-R39 HydrophobicContact CD2-CB 4.49Å; L33-R39 HydrophobicContact CD2-CG 4.41Å; K36-R39 HydrophobicContact CB-CB 4.33Å; K36-R39 HydrophobicContact CB-CG 4.19Å; K36-R39 PolarHBondContact O-N 3.35Å; K36-R39 VanDerWaalsContact O-N 3.15Å; P37-R39 PolarHBondContact O-N 3.45Å; R39-D41 VanDerWaalsContact C-N 3.34Å; R39-D41 PolarHBondContact O-N 3.28Å; R39-L42 HydrophobicContact CB-CB 4.5Å; R39-L42 WeakPolarHBondContact O-CB 3.31Å; R39-L42 PolarHBondContact O-N 3.16Å; R39-V43 WeakPolarHBondContact O-CG2 3.49Å; R39-V43 PolarHBondContact O-N 3Å
40K90.4Very high92.4Very high153 Ų15389.6 Ų89.667%0.66544%0.438SS*.Hα-helixtrans-55.8-42.9179.8-77.2173.8-177.3-179.50113.4P37 V43 A44P37-K40 VanDerWaalsContact O-CG 3.31Å; P37-K40 WeakPolarHBondContact O-CG 3.36Å; K40-V43 PolarHBondContact O-N 3.09Å; K40-A44 PolarHBondContact O-N 3.35Å
41D92.4Very high92.3Very high95 Ų9593.3 Ų93.351%0.50846%0.458SS..Hα-helixtrans-62.2-45.7176.9-177.762.7000111.7R39 V43 A44 R45R39-D41 VanDerWaalsContact C-N 3.34Å; R39-D41 PolarHBondContact O-N 3.28Å; D41-V43 VanDerWaalsContact C-N 3.32Å; D41-V43 PolarHBondContact O-N 3.43Å; D41-A44 WeakPolarHBondContact O-CB 3.5Å; D41-A44 PolarHBondContact O-N 3.46Å; D41-A44 VanDerWaalsContact O-N 3.13Å; D41-R45 WeakPolarHBondContact O-CG 3.5Å; D41-R45 PolarHBondContact O-N 2.88Å; D41-R45 IonicContact OD1-NE 3.33Å; D41-R45 IonicContact OD2-CZ 2.78Å; D41-R45 IonicContact OD2-NE 3.88Å; D41-R45 PolarHBondContact OD2-NE 3.43Å; D41-R45 IonicContact OD2-NH2 2.81Å; D41-R45 PolarHBondContact OD2-NH2 2.86Å
42L92.7Very high92.3Very high70 Ų7095 Ų9537%0.36647%0.472SS..Hα-helixtrans-60.1-42.2175.8-179.561.6000111.7L33 R39 A44 R45 L46L33-L42 HydrophobicContact CD1-CD2 3.82Å; L33-L42 HydrophobicContact CD1-CG 4.3Å; R39-L42 HydrophobicContact CB-CB 4.5Å; R39-L42 WeakPolarHBondContact O-CB 3.31Å; R39-L42 PolarHBondContact O-N 3.16Å; L42-A44 VanDerWaalsContact C-N 3.32Å; L42-A44 PolarHBondContact O-N 3.36Å; L42-R45 PolarHBondContact O-N 2.96Å; L42-L46 HydrophobicContact CD1-CG 4.42Å; L42-L46 HydrophobicContact CG-CD1 4.18Å; L42-L46 WeakPolarHBondContact O-CB 3.45Å; L42-L46 VanDerWaalsContact O-CG 3.3Å; L42-L46 WeakPolarHBondContact O-CG 3.48Å; L42-L46 PolarHBondContact O-N 3.11Å
43V93.9Very high92.4Very high20 Ų2091.2 Ų91.212%0.12145%0.451CS..Hα-helixtrans-61.4-40.4175.6169.90000111.4I30 L33 R39 K40 D41 L46 K47I30-V43 HydrophobicContact CG2-CG1 4.13Å; L33-V43 HydrophobicContact CB-CG2 3.87Å; R39-V43 WeakPolarHBondContact O-CG2 3.49Å; R39-V43 PolarHBondContact O-N 3Å; K40-V43 PolarHBondContact O-N 3.09Å; D41-V43 VanDerWaalsContact C-N 3.32Å; D41-V43 PolarHBondContact O-N 3.43Å; V43-L46 PolarHBondContact O-N 3.3Å; V43-K47 HydrophobicContact CG1-CD 4.32Å; V43-K47 WeakPolarHBondContact O-CG 3.34Å; V43-K47 PolarHBondContact O-N 3Å
44A94.6Very high92.3Very high56 Ų5691 Ų9146%0.46345%0.453SS..Hα-helixtrans-64.2-43.7176.600000111.9K40 D41 L42 K47 S48K40-A44 PolarHBondContact O-N 3.35Å; D41-A44 WeakPolarHBondContact O-CB 3.5Å; D41-A44 PolarHBondContact O-N 3.46Å; D41-A44 VanDerWaalsContact O-N 3.13Å; L42-A44 VanDerWaalsContact C-N 3.32Å; L42-A44 PolarHBondContact O-N 3.36Å; A44-K47 PolarHBondContact O-N 2.99Å; A44-S48 PolarHBondContact O-N 3.37Å
45R94.7Very high92.3Very high166 Ų16687.2 Ų87.263%0.62645%0.45SS*.Hα-helixtrans-61-44.6174.8-65.3179.9-165.2-153.63.9111.9D41 L42 K47 S48 L49D41-R45 WeakPolarHBondContact O-CG 3.5Å; D41-R45 PolarHBondContact O-N 2.88Å; D41-R45 IonicContact OD1-NE 3.33Å; D41-R45 IonicContact OD2-CZ 2.78Å; D41-R45 IonicContact OD2-NE 3.88Å; D41-R45 PolarHBondContact OD2-NE 3.43Å; D41-R45 IonicContact OD2-NH2 2.81Å; D41-R45 PolarHBondContact OD2-NH2 2.86Å; L42-R45 PolarHBondContact O-N 2.96Å; R45-K47 PolarHBondContact O-N 3.49Å; R45-S48 WeakPolarHBondContact O-CB 3.25Å; R45-S48 PolarHBondContact O-N 2.93Å; R45-L49 PolarHBondContact O-N 3.18Å
46L95.2Very high92.4Very high29 Ų2981.6 Ų81.615%0.15242%0.423CS..Hα-helixtrans-62.5-40.4177-72171.6000112.1I30 L33 L42 V43 L49 E50I30-L46 HydrophobicContact CD1-CB 3.96Å; I30-L46 HydrophobicContact CG1-CB 3.63Å; I30-L46 HydrophobicContact CG1-CD1 4.27Å; L33-L46 HydrophobicContact CD1-CD1 3.87Å; L42-L46 HydrophobicContact CD1-CG 4.42Å; L42-L46 HydrophobicContact CG-CD1 4.18Å; L42-L46 WeakPolarHBondContact O-CB 3.45Å; L42-L46 VanDerWaalsContact O-CG 3.3Å; L42-L46 WeakPolarHBondContact O-CG 3.48Å; L42-L46 PolarHBondContact O-N 3.11Å; V43-L46 PolarHBondContact O-N 3.3Å; L46-L49 PolarHBondContact O-N 3.3Å; L46-E50 WeakPolarHBondContact O-CB 3.33Å; L46-E50 PolarHBondContact O-N 3.46Å
47K95.5Very high92.5Very high108 Ų10876.5 Ų76.547%0.4740%0.401SS..Hα-helixtrans-63.3-41.9175.3-77.9177.4179-178.50112I30 V43 A44 R45 L49 E50 N51I30-K47 HydrophobicContact CD1-CB 4.36Å; I30-K47 HydrophobicContact CD1-CG 3.63Å; I30-K47 HydrophobicContact CG1-CG 4.27Å; V43-K47 HydrophobicContact CG1-CD 4.32Å; V43-K47 WeakPolarHBondContact O-CG 3.34Å; V43-K47 PolarHBondContact O-N 3Å; A44-K47 PolarHBondContact O-N 2.99Å; R45-K47 PolarHBondContact O-N 3.49Å; K47-L49 VanDerWaalsContact C-N 3.35Å; K47-E50 PolarHBondContact O-N 3.29Å; K47-N51 WeakPolarHBondContact O-CB 3.36Å; K47-N51 VanDerWaalsContact O-CG 3.29Å; K47-N51 PolarHBondContact O-N 3.09Å; K47-N51 PolarHBondContact O-ND2 3.26Å
48S96.4Very high92.9Very high65 Ų6574.8 Ų74.846%0.45538%0.384SS..Hα-helixtrans-61-45.8175.1-176.40000111.2A44 R45 N51 N52A44-S48 PolarHBondContact O-N 3.37Å; R45-S48 WeakPolarHBondContact O-CB 3.25Å; R45-S48 PolarHBondContact O-N 2.93Å; S48-N51 PolarHBondContact O-N 2.85Å; S48-N52 VanDerWaalsContact O-CG 3.29Å; S48-N52 PolarHBondContact O-N 2.92Å; S48-N52 PolarHBondContact O-ND2 3.46Å
49L95.3Very high92.9Very high71 Ų7172 Ų7237%0.37237%0.369SS..Hα-helixtrans-62-45176.7-176.258.8000112.2T22 R45 L46 K47 N51 N52 M53T22-L49 HydrophobicContact CG2-CD2 4.47Å; R45-L49 PolarHBondContact O-N 3.18Å; L46-L49 PolarHBondContact O-N 3.3Å; K47-L49 VanDerWaalsContact C-N 3.35Å; L49-N51 VanDerWaalsContact C-N 3.32Å; L49-N51 PolarHBondContact O-N 3.22Å; L49-N52 PolarHBondContact O-N 3.49Å; L49-M53 HydrophobicContact CD1-CE 3.93Å; L49-M53 HydrophobicContact CD1-CG 4.27Å; L49-M53 HydrophobicContact CG-CG 4.48Å; L49-M53 VanDerWaalsContact O-CG 3.29Å; L49-M53 WeakPolarHBondContact O-CG 3.43Å; L49-M53 PolarHBondContact O-N 3.36Å
50E95.4Very high92.7Very high49 Ų4966.9 Ų66.923%0.22935%0.352CS..Hα-helixtrans-55.7-47.2175.4-173.1-166.6161.600111.5Q23 C26 I30 L46 K47 M53 S54Q23-E50 HydrophobicContact CG-CG 3.64Å; C26-E50 HydrophobicContact CB-CB 3.98Å; I30-E50 WeakPolarHBondContact CD1-OE2 3.28Å; L46-E50 WeakPolarHBondContact O-CB 3.33Å; L46-E50 PolarHBondContact O-N 3.46Å; K47-E50 PolarHBondContact O-N 3.29Å; E50-M53 PolarHBondContact O-N 3.43Å; E50-S54 WeakPolarHBondContact O-CB 3.14Å; E50-S54 PolarHBondContact O-N 2.89Å
51N93.8Very high92.6Very high101 Ų10160.3 Ų60.354%0.5432%0.323SS..Hα-helixtrans-63.7-43.7179.1-74.1-28.8000112.1K47 S48 L49 S54 A55K47-N51 WeakPolarHBondContact O-CB 3.36Å; K47-N51 VanDerWaalsContact O-CG 3.29Å; K47-N51 PolarHBondContact O-N 3.09Å; K47-N51 PolarHBondContact O-ND2 3.26Å; S48-N51 PolarHBondContact O-N 2.85Å; L49-N51 VanDerWaalsContact C-N 3.32Å; L49-N51 PolarHBondContact O-N 3.22Å; N51-S54 WeakPolarHBondContact O-CB 3.13Å; N51-S54 PolarHBondContact O-N 3.48Å; N51-A55 WeakPolarHBondContact O-CB 3.25Å; N51-A55 PolarHBondContact O-N 2.79Å
52N94.1Very high92.3Very high98 Ų9859 Ų5952%0.52432%0.316SS..Hα-helixtrans-63.3-44.3177.5-71.3-19.2000111.6S48 L49 A55 G56S48-N52 VanDerWaalsContact O-CG 3.29Å; S48-N52 PolarHBondContact O-N 2.92Å; S48-N52 PolarHBondContact O-ND2 3.46Å; L49-N52 PolarHBondContact O-N 3.49Å; N52-A55 PolarHBondContact O-N 3.38Å; N52-G56 PolarHBondContact O-N 2.82Å
53M93.9Very high91.8Very high36 Ų3658 Ų5818%0.17732%0.322CS..Hα-helixtrans-62.2-43.7175.1-67.9-59.2107.900111.2F19 T22 Q23 L49 E50 A55 G56 R57F19-M53 HydrophobicContact CB-SD 4.3Å; F19-M53 HydrophobicContact CD1-SD 3.94Å; F19-M53 HydrophobicContact CE1-SD 4.39Å; F19-M53 HydrophobicContact CG-SD 4.03Å; T22-M53 HydrophobicContact CG2-CG 3.9Å; T22-M53 HydrophobicContact CG2-SD 4.16Å; Q23-M53 HydrophobicContact CB-CB 3.99Å; L49-M53 HydrophobicContact CD1-CE 3.93Å; L49-M53 HydrophobicContact CD1-CG 4.27Å; L49-M53 HydrophobicContact CG-CG 4.48Å; L49-M53 VanDerWaalsContact O-CG 3.29Å; L49-M53 WeakPolarHBondContact O-CG 3.43Å; L49-M53 PolarHBondContact O-N 3.36Å; E50-M53 PolarHBondContact O-N 3.43Å; M53-A55 PolarHBondContact O-N 2.94Å; M53-G56 PolarHBondContact O-N 3.12Å; M53-R57 VanDerWaalsContact O-CG 3.25Å; M53-R57 WeakPolarHBondContact O-CG 3.31Å; M53-R57 PolarHBondContact O-N 3.37Å
54S91.3Very high91.5Very high30 Ų3058.1 Ų58.121%0.2132%0.322CS..Hα-helixtrans-60.2-42.3176.3-174.50000112.5E50 N51 R57 K58E50-S54 WeakPolarHBondContact O-CB 3.14Å; E50-S54 PolarHBondContact O-N 2.89Å; N51-S54 WeakPolarHBondContact O-CB 3.13Å; N51-S54 PolarHBondContact O-N 3.48Å; S54-R57 PolarHBondContact O-N 3.18Å; S54-K58 PolarHBondContact O-N 3.36Å
55A89.8Confident91.2Very high52 Ų5256.1 Ų56.143%0.4331%0.305SS..Hα-helixtrans-65-46.7175.800000111.9N51 N52 M53 R57 K58 L59N51-A55 WeakPolarHBondContact O-CB 3.25Å; N51-A55 PolarHBondContact O-N 2.79Å; N52-A55 PolarHBondContact O-N 3.38Å; M53-A55 PolarHBondContact O-N 2.94Å; A55-R57 VanDerWaalsContact C-N 3.28Å; A55-R57 PolarHBondContact O-N 2.85Å; A55-K58 PolarHBondContact O-N 2.69Å; A55-K58 VanDerWaalsContact O-N 3.14Å; A55-L59 PolarHBondContact O-N 2.81Å
56G90.9Very high90.8Very high15 Ų1551 Ų5116%0.15530%0.298CS..Hα-helixtrans-57.5-40.3176.400000112.5N52 M53 K58 L59 L60N52-G56 PolarHBondContact O-N 2.82Å; M53-G56 PolarHBondContact O-N 3.12Å; G56-K58 PolarHBondContact O-N 3.29Å; G56-L59 WeakPolarHBondContact O-CB 3.46Å; G56-L59 PolarHBondContact O-N 2.85Å; G56-L60 WeakPolarHBondContact O-CG 3.49Å; G56-L60 PolarHBondContact O-N 3.01Å
57R91.8Very high90.5Very high16 Ų1653.9 Ų53.96%0.0631%0.314CS..Hα-helixtrans-62.6-41.4175.8-70.4175.571.6-155.2-0.4113.3D16 F19 R20 M53 S54 A55 L59 L60 R61D16-R57 VanDerWaalsContact OD1-CB 3.32Å; D16-R57 WeakPolarHBondContact OD1-CB 3.22Å; D16-R57 WeakPolarHBondContact OD1-CG 3.27Å; D16-R57 IonicContact OD1-NE 2.74Å; D16-R57 PolarHBondContact OD1-NE 3.46Å; F19-R57 HydrophobicContact CB-CG 3.46Å; F19-R57 VanDerWaalsContact CB-CG 3.46Å; F19-R57 HydrophobicContact CD2-CG 4.33Å; F19-R57 HydrophobicContact CG-CG 4.44Å; R20-R57 VanDerWaalsContact CB-CZ 3.49Å; R20-R57 VanDerWaalsContact CD-NH2 3.28Å; R20-R57 VanDerWaalsContact CG-NH2 3.28Å; M53-R57 VanDerWaalsContact O-CG 3.25Å; M53-R57 WeakPolarHBondContact O-CG 3.31Å; M53-R57 PolarHBondContact O-N 3.37Å; S54-R57 PolarHBondContact O-N 3.18Å; A55-R57 VanDerWaalsContact C-N 3.28Å; A55-R57 PolarHBondContact O-N 2.85Å; R57-L59 PolarHBondContact O-N 2.76Å; R57-L60 PolarHBondContact O-N 3.09Å; R57-R61 VanDerWaalsContact NE-NH2 3.12Å; R57-R61 WeakPolarHBondContact O-CB 3.47Å; R57-R61 VanDerWaalsContact O-CG 3.27Å; R57-R61 WeakPolarHBondContact O-CG 3.47Å; R57-R61 PolarHBondContact O-N 3.4Å
58K89.7Confident90.1Very high49 Ų4949 Ų4921%0.21329%0.294CS..Hα-helixtrans-59.5-40.7177.8-72.5178.2-179.8174.70111.1S54 A55 G56 R61 L62S54-K58 PolarHBondContact O-N 3.36Å; A55-K58 PolarHBondContact O-N 2.69Å; A55-K58 VanDerWaalsContact O-N 3.14Å; G56-K58 PolarHBondContact O-N 3.29Å; K58-R61 PolarHBondContact O-N 3.14Å; K58-L62 PolarHBondContact O-N 2.93Å
59L87.9Confident89.7Confident92 Ų9250.7 Ų50.748%0.48230%0.296SS..Hα-helixtrans-64.3-47175.4-65.6173.3000112.1A55 G56 R57 R61 L62 W105A55-L59 PolarHBondContact O-N 2.81Å; G56-L59 WeakPolarHBondContact O-CB 3.46Å; G56-L59 PolarHBondContact O-N 2.85Å; R57-L59 PolarHBondContact O-N 2.76Å; L59-R61 PolarHBondContact O-N 2.94Å; L59-R61 VanDerWaalsContact O-N 3.15Å; L59-L62 HydrophobicContact CD2-CD1 4.22Å; L59-L62 WeakPolarHBondContact O-CB 3.5Å; L59-L62 WeakPolarHBondContact O-CG 3.13Å; L59-L62 PolarHBondContact O-N 3.37Å; L59-L62 VanDerWaalsContact O-N 3.14Å; L59-W105 HydrophobicContact CD2-CZ2 3.46Å; L59-W105 VanDerWaalsContact CD2-CZ2 3.46Å
60L87.8Confident89.4Confident33 Ų3351.1 Ų51.117%0.17330%0.301CS..Hα-helixtrans-64.4-18.4178.4-68.7176000113.6R15 D16 F19 G56 R57R15-L60 HydrophobicContact CB-CD1 3.83Å; D16-L60 HydrophobicContact CB-CB 4.25Å; D16-L60 HydrophobicContact CB-CD1 4.26Å; F19-L60 HydrophobicContact CD2-CD1 3.85Å; F19-L60 HydrophobicContact CE2-CD1 3.92Å; G56-L60 WeakPolarHBondContact O-CG 3.49Å; G56-L60 PolarHBondContact O-N 3.01Å; R57-L60 PolarHBondContact O-N 3.09Å
61R86.4Confident88.9Confident16 Ų1650 Ų506%0.0630%0.3CS..THydrogen-bonded Turntrans-90-8.3178.1-72.1-174.6-121145.5-9.1114.4D16 R57 K58 L59 G63 N64 Y97 F98 D101D16-R61 IonicContact OD1-NE 3.21Å; D16-R61 PolarHBondContact OD1-NE 2.82Å; R57-R61 VanDerWaalsContact NE-NH2 3.12Å; R57-R61 WeakPolarHBondContact O-CB 3.47Å; R57-R61 VanDerWaalsContact O-CG 3.27Å; R57-R61 WeakPolarHBondContact O-CG 3.47Å; R57-R61 PolarHBondContact O-N 3.4Å; K58-R61 PolarHBondContact O-N 3.14Å; L59-R61 PolarHBondContact O-N 2.94Å; L59-R61 VanDerWaalsContact O-N 3.15Å; R61-G63 PolarHBondContact O-N 3.27Å; R61-N64 WeakPolarHBondContact CA-ND2 3.43Å; R61-N64 VanDerWaalsContact O-CB 3.27Å; R61-N64 WeakPolarHBondContact O-CB 3.25Å; R61-N64 PolarHBondContact O-N 2.93Å; R61-Y97 PolarHBondContact NH1-OH 3.24Å; R61-Y97 VanDerWaalsContact NH1-OH 3.08Å; R61-F98 HydrophobicContact CB-CD1 4.24Å; R61-F98 HydrophobicContact CB-CE1 3.92Å; R61-F98 HydrophobicContact CG-CE1 3.95Å; R61-D101 IonicContact NH1-OD2 3.03Å; R61-D101 PolarHBondContact NH1-OD2 2.77Å
62L86.5Confident88.6Confident68 Ų6845.5 Ų45.536%0.35628%0.277SS..THydrogen-bonded Turntrans-56.6135.3170.9-64.3174.3000109.6K58 L59 N64 W105K58-L62 PolarHBondContact O-N 2.93Å; L59-L62 HydrophobicContact CD2-CD1 4.22Å; L59-L62 WeakPolarHBondContact O-CB 3.5Å; L59-L62 WeakPolarHBondContact O-CG 3.13Å; L59-L62 PolarHBondContact O-N 3.37Å; L59-L62 VanDerWaalsContact O-N 3.14Å; L62-N64 VanDerWaalsContact C-N 3.29Å; L62-N64 PolarHBondContact O-N 3.43Å; L62-W105 HydrophobicContact CD1-CH2 3.93Å; L62-W105 HydrophobicContact CD1-CZ2 4.08Å; L62-W105 HydrophobicContact CD1-CZ3 4.17Å; L62-W105 HydrophobicContact CD2-CD2 4.27Å; L62-W105 HydrophobicContact CD2-CE3 3.87Å; L62-W105 HydrophobicContact CD2-CZ3 4.07Å
63G83.3Confident88.2Confident47 Ų4748 Ų4849%0.48528%0.284SS..THydrogen-bonded Turntrans82.4-12-175.200000115.8R61 A65 A66R61-G63 PolarHBondContact O-N 3.27Å; G63-A65 PolarHBondContact O-N 3.49Å; G63-A65 VanDerWaalsContact O-N 3.17Å; G63-A66 PolarHBondContact O-N 3.22Å; G63-A66 VanDerWaalsContact O-N 3.1Å
64N87.6Confident87.9Confident24 Ų2451.9 Ų51.913%0.12830%0.302CS..Hα-helixtrans-67.6-16.4178.4-77.3-19.1000114.4R61 L62 A66 N67 S68 F98R61-N64 WeakPolarHBondContact CA-ND2 3.43Å; R61-N64 VanDerWaalsContact O-CB 3.27Å; R61-N64 WeakPolarHBondContact O-CB 3.25Å; R61-N64 PolarHBondContact O-N 2.93Å; L62-N64 VanDerWaalsContact C-N 3.29Å; L62-N64 PolarHBondContact O-N 3.43Å; N64-A66 VanDerWaalsContact C-N 3.33Å; N64-N67 PolarHBondContact O-N 3.18Å; N64-N67 PolarHBondContact OD1-ND2 3.27Å; N64-N67 VanDerWaalsContact OD1-ND2 3.14Å; N64-S68 WeakPolarHBondContact O-CB 3.37Å; N64-S68 PolarHBondContact O-N 2.97Å; N64-S68 PolarHBondContact O-OG 2.9Å; N64-F98 HydrophobicContact CB-CD1 3.98Å; N64-F98 HydrophobicContact CB-CD2 3.77Å; N64-F98 HydrophobicContact CB-CE1 3.79Å; N64-F98 HydrophobicContact CB-CE2 3.56Å; N64-F98 HydrophobicContact CB-CG 3.99Å; N64-F98 HydrophobicContact CB-CZ 3.58Å
65A87.1Confident87.6Confident14 Ų1451 Ų5112%0.11630%0.295CS..Hα-helixtrans-59-45.8169.700000111G63 S68 I69 F98 I99G63-A65 PolarHBondContact O-N 3.49Å; G63-A65 VanDerWaalsContact O-N 3.17Å; A65-S68 WeakPolarHBondContact O-CB 3.33Å; A65-S68 PolarHBondContact O-N 3.44Å; A65-S68 VanDerWaalsContact O-N 3.14Å; A65-I69 WeakPolarHBondContact O-CG1 3.33Å; A65-I69 PolarHBondContact O-N 2.92Å; A65-F98 HydrophobicContact CB-CB 3.91Å; A65-I99 HydrophobicContact CB-CG1 4.17Å
66A87Confident87.2Confident57 Ų5755.1 Ų55.147%0.47131%0.307SS..Hα-helixtrans-63.1-44.9177.600000111.5G63 N64 S68 I69 V70G63-A66 PolarHBondContact O-N 3.22Å; G63-A66 VanDerWaalsContact O-N 3.1Å; N64-A66 VanDerWaalsContact C-N 3.33Å; A66-S68 PolarHBondContact O-N 3.36Å; A66-I69 PolarHBondContact O-N 3.32Å; A66-I69 VanDerWaalsContact O-N 3.15Å; A66-V70 WeakPolarHBondContact O-CG2 3.37Å; A66-V70 PolarHBondContact O-N 3.06Å
67N88.1Confident86.9Confident90 Ų9061.6 Ų61.648%0.48133%0.333SS..Hα-helixtrans-56.1-39.2174.4-68.8-28.7000111.9N64 A71N64-N67 PolarHBondContact O-N 3.18Å; N64-N67 PolarHBondContact OD1-ND2 3.27Å; N64-N67 VanDerWaalsContact OD1-ND2 3.14Å; N67-A71 WeakPolarHBondContact O-CB 3.43Å; N67-A71 PolarHBondContact O-N 3.18Å
68S87.5Confident86.3Confident7 Ų763.2 Ų63.25%0.04934%0.343CS..Hα-helixtrans-72.1-36.1179.8-54.90000112.1N64 A65 A66 A71 A72 F98N64-S68 WeakPolarHBondContact O-CB 3.37Å; N64-S68 PolarHBondContact O-N 2.97Å; N64-S68 PolarHBondContact O-OG 2.9Å; A65-S68 WeakPolarHBondContact O-CB 3.33Å; A65-S68 PolarHBondContact O-N 3.44Å; A65-S68 VanDerWaalsContact O-N 3.14Å; A66-S68 PolarHBondContact O-N 3.36Å; S68-A71 PolarHBondContact O-N 3.02Å; S68-A72 WeakPolarHBondContact O-CB 3.41Å; S68-A72 PolarHBondContact O-N 3.32Å; S68-F98 WeakPolarHBondContact OG-CD2 3.42Å; S68-F98 WeakPolarHBondContact OG-CE2 3.47Å
69I87.6Confident85.7Confident99 Ų9967.2 Ų67.251%0.50838%0.377SS..Hα-helixtrans-66.8-45.2174.9-66.7164.4000110.7A65 A66 A71 A72 K73 A95A65-I69 WeakPolarHBondContact O-CG1 3.33Å; A65-I69 PolarHBondContact O-N 2.92Å; A66-I69 PolarHBondContact O-N 3.32Å; A66-I69 VanDerWaalsContact O-N 3.15Å; I69-A71 VanDerWaalsContact C-N 3.31Å; I69-A71 PolarHBondContact O-N 3.23Å; I69-A72 WeakPolarHBondContact O-CB 3.3Å; I69-A72 PolarHBondContact O-N 3.15Å; I69-K73 PolarHBondContact O-N 3.07Å; I69-A95 HydrophobicContact CG1-CB 3.86Å
70V89.4Confident85.5Confident80 Ų8065 Ų6549%0.48537%0.366SS..Hα-helixtrans-60.4-44.1175.5173.30000110.5A66 A72 K73 Q74A66-V70 WeakPolarHBondContact O-CG2 3.37Å; A66-V70 PolarHBondContact O-N 3.06Å; V70-A72 VanDerWaalsContact C-N 3.34Å; V70-A72 PolarHBondContact O-N 3.06Å; V70-K73 PolarHBondContact O-N 3.4Å; V70-Q74 WeakPolarHBondContact O-CG 3.28Å; V70-Q74 PolarHBondContact O-N 3.23Å
71A86Confident85.3Confident25 Ų2574 Ų7421%0.20740%0.397CS..Hα-helixtrans-61.4-40.6175.700000112.3N67 S68 I69 K73 Q74 T75 N91N67-A71 WeakPolarHBondContact O-CB 3.43Å; N67-A71 PolarHBondContact O-N 3.18Å; S68-A71 PolarHBondContact O-N 3.02Å; I69-A71 VanDerWaalsContact C-N 3.31Å; I69-A71 PolarHBondContact O-N 3.23Å; A71-K73 VanDerWaalsContact C-N 3.34Å; A71-K73 PolarHBondContact O-N 3.48Å; A71-Q74 PolarHBondContact O-N 3.19Å; A71-T75 WeakPolarHBondContact O-CG2 3.43Å; A71-T75 PolarHBondContact O-N 3.41Å; A71-T75 PolarHBondContact O-OG1 3.4Å; A71-N91 HydrophobicContact CB-CB 4.48Å
72A86.3Confident85.2Confident7 Ų778.3 Ų78.36%0.05842%0.421CS..Hα-helixtrans-60.8-42.8175.600000111.9S68 I69 V70 Q74 T75 M76 T88 N91 I92S68-A72 WeakPolarHBondContact O-CB 3.41Å; S68-A72 PolarHBondContact O-N 3.32Å; I69-A72 WeakPolarHBondContact O-CB 3.3Å; I69-A72 PolarHBondContact O-N 3.15Å; V70-A72 VanDerWaalsContact C-N 3.34Å; V70-A72 PolarHBondContact O-N 3.06Å; A72-Q74 VanDerWaalsContact C-N 3.33Å; A72-Q74 PolarHBondContact O-N 3.19Å; A72-T75 WeakPolarHBondContact CA-OG1 3.34Å; A72-T75 PolarHBondContact O-N 3.04Å; A72-T75 PolarHBondContact O-OG1 2.87Å; A72-M76 WeakPolarHBondContact O-CG 3.38Å; A72-M76 PolarHBondContact O-N 2.93Å; A72-T88 HydrophobicContact CB-CG2 4.44Å; A72-N91 HydrophobicContact CB-CB 3.8Å; A72-I92 HydrophobicContact CB-CG1 4.02Å
73K86.9Confident85.2Confident150 Ų15076.1 Ų76.165%0.65241%0.409SS*.Hα-helixtrans-62.9-39.5176.7-173.9178.9178.4-179.20112.2I69 V70 A71I69-K73 PolarHBondContact O-N 3.07Å; V70-K73 PolarHBondContact O-N 3.4Å; A71-K73 VanDerWaalsContact C-N 3.34Å; A71-K73 PolarHBondContact O-N 3.48Å
74Q87.3Confident85.4Confident119 Ų11974.1 Ų74.156%0.55639%0.389SS*.Hα-helixtrans-67-41.1177.3-71.3173.6-11.900111.8V70 A71 A72 M76 Q77V70-Q74 WeakPolarHBondContact O-CG 3.28Å; V70-Q74 PolarHBondContact O-N 3.23Å; A71-Q74 PolarHBondContact O-N 3.19Å; A72-Q74 VanDerWaalsContact C-N 3.33Å; A72-Q74 PolarHBondContact O-N 3.19Å; Q74-M76 PolarHBondContact O-N 3.16Å; Q74-Q77 WeakPolarHBondContact O-CB 3.27Å; Q74-Q77 PolarHBondContact O-N 3.21Å; Q74-Q77 VanDerWaalsContact O-N 3.08Å
75T84.8Confident85.5Confident12 Ų1278 Ų787%0.07441%0.409CS..Hα-helixtrans-70.3-21.7-178.352.90000113.4A71 A72 Q77 L78 G84 L87 T88A71-T75 WeakPolarHBondContact O-CG2 3.43Å; A71-T75 PolarHBondContact O-N 3.41Å; A71-T75 PolarHBondContact O-OG1 3.4Å; A72-T75 WeakPolarHBondContact CA-OG1 3.34Å; A72-T75 PolarHBondContact O-N 3.04Å; A72-T75 PolarHBondContact O-OG1 2.87Å; T75-Q77 PolarHBondContact O-N 2.84Å; T75-L78 HydrophobicContact CG2-CD1 4.23Å; T75-L78 WeakPolarHBondContact O-CB 3.36Å; T75-L78 WeakPolarHBondContact O-CG 3.43Å; T75-L78 PolarHBondContact O-N 3Å; T75-G84 WeakPolarHBondContact O-CA 3.47Å; T75-L87 HydrophobicContact CG2-CB 3.69Å; T75-L87 HydrophobicContact CG2-CD1 4.24Å; T75-T88 VanDerWaalsContact OG1-CA 3.32Å; T75-T88 WeakPolarHBondContact OG1-CA 3.33Å; T75-T88 PolarHBondContact OG1-N 3.09Å; T75-T88 PolarHBondContact OG1-OG1 3.05Å
76M81.9Confident85.6Confident137 Ų13778.2 Ų78.268%0.67541%0.41SS*.THydrogen-bonded Turntrans-66.8-20.1171.4-70.2173.769.100113.3A72 Q74 T88A72-M76 WeakPolarHBondContact O-CG 3.38Å; A72-M76 PolarHBondContact O-N 2.93Å; Q74-M76 PolarHBondContact O-N 3.16Å; M76-T88 HydrophobicContact CG-CG2 3.58Å; M76-T88 PolarHBondContact N-OG1 2.99Å; M76-T88 HydrophobicContact SD-CG2 4.18Å
77Q83.1Confident85.7Confident152 Ų15276.2 Ų76.271%0.7139%0.391SS*.THydrogen-bonded Turntrans-91.20.8-179-60.6178.6-18.300112.8Q74 T75Q74-Q77 WeakPolarHBondContact O-CB 3.27Å; Q74-Q77 PolarHBondContact O-N 3.21Å; Q74-Q77 VanDerWaalsContact O-N 3.08Å; T75-Q77 PolarHBondContact O-N 2.84Å
78L81.1Confident85.8Confident49 Ų4972.7 Ų72.726%0.25737%0.373SS..  trans-68.6141.7179-68.5171.1000111.2T75 L87 P247T75-L78 HydrophobicContact CG2-CD1 4.23Å; T75-L78 WeakPolarHBondContact O-CB 3.36Å; T75-L78 WeakPolarHBondContact O-CG 3.43Å; T75-L78 PolarHBondContact O-N 3Å; L78-L87 HydrophobicContact CD1-CD1 3.72Å; L78-P247 HydrophobicContact CD1-CB 4.2Å; L78-P247 HydrophobicContact CD2-CB 4.35Å
79S75.6Confident86.1Confident133 Ų13374.5 Ų74.593%0.9338%0.383SS*.SBendtrans-68.1-35.5-177.9-50.40000112.8R81S79-R81 PolarHBondContact O-N 3.01Å
80D84.3Confident86.4Confident47 Ų4769.8 Ų69.825%0.25136%0.359SS..SBendtrans-80.5112.9173.7-174.8-33.1000109.7L82 L83 G84 Y141D80-L82 PolarHBondContact O-N 3.12Å; D80-L82 PolarHBondContact OD1-N 3.45Å; D80-L83 HydrophobicContact CB-CB 3.83Å; D80-L83 HydrophobicContact CB-CD2 4.4Å; D80-L83 PolarHBondContact OD1-N 2.9Å; D80-L83 VanDerWaalsContact OD1-N 3.15Å; D80-G84 PolarHBondContact O-N 3.44Å; D80-Y141 PolarHBondContact OD1-OH 3.14Å; D80-Y141 VanDerWaalsContact OD2-CE1 3.27Å; D80-Y141 WeakPolarHBondContact OD2-CE1 3.41Å; D80-Y141 PolarHBondContact OD2-OH 2.92Å
81R83.2Confident86.5Confident220 Ų22066.5 Ų66.583%0.8334%0.339SS*.Hα-helixtrans-67-36.6-174-168.4172.9-69.7178.4-0.9113.1S79 L85S79-R81 PolarHBondContact O-N 3.01Å; R81-L85 VanDerWaalsContact O-CB 3.25Å; R81-L85 WeakPolarHBondContact O-CB 3.39Å; R81-L85 PolarHBondContact O-N 3.5Å
82L84.9Confident86.9Confident107 Ų10769.4 Ų69.456%0.5635%0.35SS*.Hα-helixtrans-75.1-42.8-179.5-68.8178.7000110.6D80 L85 C86 Y141D80-L82 PolarHBondContact O-N 3.12Å; D80-L82 PolarHBondContact OD1-N 3.45Å; L82-L85 PolarHBondContact O-N 3.1Å; L82-C86 PolarHBondContact O-N 3.47Å; L82-C86 PolarHBondContact O-SG 3.37Å; L82-Y141 HydrophobicContact CD1-CE2 4.12Å
83L86.5Confident87.3Confident22 Ų2270 Ų7012%0.11535%0.353CS..Hα-helixtrans-61.4-49174.5-178.763.1000111.3D80 L85 C86 L87 R138 Y141 V142 P247D80-L83 HydrophobicContact CB-CB 3.83Å; D80-L83 HydrophobicContact CB-CD2 4.4Å; D80-L83 PolarHBondContact OD1-N 2.9Å; D80-L83 VanDerWaalsContact OD1-N 3.15Å; L83-L85 VanDerWaalsContact C-N 3.35Å; L83-L85 PolarHBondContact O-N 3.41Å; L83-C86 PolarHBondContact O-N 2.95Å; L83-L87 HydrophobicContact CD1-CD1 4.04Å; L83-L87 HydrophobicContact CD1-CG 4.38Å; L83-L87 HydrophobicContact CG-CD1 4.04Å; L83-L87 WeakPolarHBondContact O-CB 3.43Å; L83-L87 WeakPolarHBondContact O-CG 3.2Å; L83-L87 PolarHBondContact O-N 2.93Å; L83-R138 HydrophobicContact CD1-CB 4.37Å; L83-R138 HydrophobicContact CD1-CG 3.19Å; L83-Y141 HydrophobicContact CB-CE1 4.43Å; L83-V142 HydrophobicContact CD1-CG2 4.35Å; L83-P247 WeakPolarHBondContact CD2-OXT 3.33Å
84G87.6Confident87.6Confident6 Ų666.8 Ų66.86%0.06234%0.336CS..Hα-helixtrans-59.5-42.7177.800000112.5T75 D80 T88T75-G84 WeakPolarHBondContact O-CA 3.47Å; D80-G84 PolarHBondContact O-N 3.44Å; G84-T88 WeakPolarHBondContact O-CB 3.37Å; G84-T88 PolarHBondContact O-N 3.25Å; G84-T88 PolarHBondContact O-OG1 2.85Å
85L88.7Confident88Confident105 Ų10561.4 Ų61.455%0.5531%0.312SS..Hα-helixtrans-64.1-49.8176.2-172.9150.7000111.6R81 L82 L83 L87 T88 V89R81-L85 VanDerWaalsContact O-CB 3.25Å; R81-L85 WeakPolarHBondContact O-CB 3.39Å; R81-L85 PolarHBondContact O-N 3.5Å; L82-L85 PolarHBondContact O-N 3.1Å; L83-L85 VanDerWaalsContact C-N 3.35Å; L83-L85 PolarHBondContact O-N 3.41Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 3.28Å; L85-T88 PolarHBondContact O-N 3.34Å; L85-V89 HydrophobicContact CD2-CG2 4.07Å; L85-V89 HydrophobicContact CG-CG2 4.47Å; L85-V89 WeakPolarHBondContact O-CG2 3.35Å; L85-V89 PolarHBondContact O-N 3.13Å
86C89.2Confident88.4Confident19 Ų1963.8 Ų63.813%0.12832%0.324CS..Hα-helixtrans-57.3-47.9179.5-68.50000111.4L82 L83 A90 R138L82-C86 PolarHBondContact O-N 3.47Å; L82-C86 PolarHBondContact O-SG 3.37Å; L83-C86 PolarHBondContact O-N 2.95Å; C86-A90 VanDerWaalsContact O-CB 3.26Å; C86-A90 WeakPolarHBondContact O-CB 3.49Å; C86-A90 PolarHBondContact O-N 2.85Å; C86-R138 HydrophobicContact CB-CB 4.19Å
87L90.1Very high89Confident15 Ų1558.9 Ų58.98%0.07930%0.298CS..Hα-helixtrans-67.3-37.7179.8-70.9175.5000112.7T75 L78 L83 L85 A90 N91 R138 P247T75-L87 HydrophobicContact CG2-CB 3.69Å; T75-L87 HydrophobicContact CG2-CD1 4.24Å; L78-L87 HydrophobicContact CD1-CD1 3.72Å; L83-L87 HydrophobicContact CD1-CD1 4.04Å; L83-L87 HydrophobicContact CD1-CG 4.38Å; L83-L87 HydrophobicContact CG-CD1 4.04Å; L83-L87 WeakPolarHBondContact O-CB 3.43Å; L83-L87 WeakPolarHBondContact O-CG 3.2Å; L83-L87 PolarHBondContact O-N 2.93Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 3.28Å; L87-A90 PolarHBondContact O-N 3.21Å; L87-N91 WeakPolarHBondContact O-CB 3.32Å; L87-N91 PolarHBondContact O-N 3.33Å; L87-N91 PolarHBondContact O-ND2 3.09Å; L87-N91 VanDerWaalsContact O-ND2 3.11Å; L87-R138 HydrophobicContact CD2-CG 4.09Å; L87-R138 HydrophobicContact CG-CG 4.25Å; L87-P247 HydrophobicContact CD1-CB 4.17Å
88T90.4Very high89.5Confident15 Ų1552.4 Ų52.49%0.09227%0.268CS..Hα-helixtrans-64.7-50176.9-60.80000110.6A72 T75 M76 G84 L85 A90 N91 I92A72-T88 HydrophobicContact CB-CG2 4.44Å; T75-T88 VanDerWaalsContact OG1-CA 3.32Å; T75-T88 WeakPolarHBondContact OG1-CA 3.33Å; T75-T88 PolarHBondContact OG1-N 3.09Å; T75-T88 PolarHBondContact OG1-OG1 3.05Å; M76-T88 HydrophobicContact CG-CG2 3.58Å; M76-T88 PolarHBondContact N-OG1 2.99Å; M76-T88 HydrophobicContact SD-CG2 4.18Å; G84-T88 WeakPolarHBondContact O-CB 3.37Å; G84-T88 PolarHBondContact O-N 3.25Å; G84-T88 PolarHBondContact O-OG1 2.85Å; L85-T88 PolarHBondContact O-N 3.34Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 3.15Å; T88-N91 PolarHBondContact O-N 3.23Å; T88-I92 HydrophobicContact CG2-CD1 3.87Å; T88-I92 HydrophobicContact CG2-CG1 4.48Å; T88-I92 WeakPolarHBondContact O-CG1 3.42Å; T88-I92 PolarHBondContact O-N 3.37Å
89V93.1Very high90.1Very high45 Ų4554 Ų5427%0.27328%0.276SS..Hα-helixtrans-61.2-40.1176.3177.30000110.6L85 N91 I92 N93 M134L85-V89 HydrophobicContact CD2-CG2 4.07Å; L85-V89 HydrophobicContact CG-CG2 4.47Å; L85-V89 WeakPolarHBondContact O-CG2 3.35Å; L85-V89 PolarHBondContact O-N 3.13Å; V89-N91 PolarHBondContact O-N 3.45Å; V89-I92 PolarHBondContact O-N 3.15Å; V89-N93 WeakPolarHBondContact CG1-ND2 3.38Å; V89-N93 WeakPolarHBondContact O-CB 3.3Å; V89-N93 PolarHBondContact O-N 3.4Å; V89-N93 PolarHBondContact O-ND2 2.96Å; V89-M134 HydrophobicContact CB-CG 4.33Å; V89-M134 HydrophobicContact CB-SD 4.36Å; V89-M134 HydrophobicContact CG1-CE 4.23Å; V89-M134 HydrophobicContact CG1-CG 3.88Å; V89-M134 HydrophobicContact CG1-SD 4.07Å
90A93.5Very high90.9Very high0 Ų048 Ų480%023%0.234CC..Hα-helixtrans-60.4-44175.700000112.4C86 L87 T88 R94 S131 M134C86-A90 VanDerWaalsContact O-CB 3.26Å; C86-A90 WeakPolarHBondContact O-CB 3.49Å; C86-A90 PolarHBondContact O-N 2.85Å; L87-A90 PolarHBondContact O-N 3.21Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 3.15Å; A90-R94 WeakPolarHBondContact O-CB 3.2Å; A90-R94 PolarHBondContact O-N 3.29Å; A90-S131 WeakPolarHBondContact O-CB 3.35Å; A90-S131 PolarHBondContact O-OG 2.9Å; A90-M134 HydrophobicContact CB-CB 3.74Å
91N92.7Very high91.3Very high12 Ų1246.3 Ų46.36%0.06423%0.225CC..Hα-helixtrans-74.4-35.1-179.1-75.8-41000113A71 A72 L87 T88 V89 R94 A95A71-N91 HydrophobicContact CB-CB 4.48Å; A72-N91 HydrophobicContact CB-CB 3.8Å; L87-N91 WeakPolarHBondContact O-CB 3.32Å; L87-N91 PolarHBondContact O-N 3.33Å; L87-N91 PolarHBondContact O-ND2 3.09Å; L87-N91 VanDerWaalsContact O-ND2 3.11Å; T88-N91 PolarHBondContact O-N 3.23Å; V89-N91 PolarHBondContact O-N 3.45Å; N91-R94 PolarHBondContact O-N 3.44Å; N91-R94 PolarHBondContact OD1-NH2 3.17Å; N91-R94 VanDerWaalsContact OD1-NH2 3.13Å; N91-A95 PolarHBondContact O-N 3.02Å
92I94.1Very high91.7Very high85 Ų8537.6 Ų37.644%0.43620%0.195SC..Hα-helixtrans-61.7-50171.7-69.7169.2000110.2A72 T88 V89 R94 A95 L96A72-I92 HydrophobicContact CB-CG1 4.02Å; T88-I92 HydrophobicContact CG2-CD1 3.87Å; T88-I92 HydrophobicContact CG2-CG1 4.48Å; T88-I92 WeakPolarHBondContact O-CG1 3.42Å; T88-I92 PolarHBondContact O-N 3.37Å; V89-I92 PolarHBondContact O-N 3.15Å; I92-R94 PolarHBondContact O-N 2.95Å; I92-A95 WeakPolarHBondContact O-CB 3.44Å; I92-A95 PolarHBondContact O-N 3.07Å; I92-L96 HydrophobicContact CG2-CD1 4.42Å; I92-L96 PolarHBondContact O-N 3.49Å
93N95.1Very high92Very high21 Ų2133.1 Ų33.111%0.11217%0.173CC..Hα-helixtrans-59.6-36.2176.1-81.1-65.8000111.7V89 L96 Y97 Y127 F130V89-N93 WeakPolarHBondContact CG1-ND2 3.38Å; V89-N93 WeakPolarHBondContact O-CB 3.3Å; V89-N93 PolarHBondContact O-N 3.4Å; V89-N93 PolarHBondContact O-ND2 2.96Å; N93-L96 PolarHBondContact O-N 2.83Å; N93-Y97 WeakPolarHBondContact O-CB 3.24Å; N93-Y97 PolarHBondContact O-N 2.91Å; N93-Y127 WeakPolarHBondContact O-CB 3.14Å; N93-F130 HydrophobicContact CB-CB 4.39Å
94R93.4Very high92.3Very high82 Ų8232.4 Ų32.431%0.30917%0.169SC..Hα-helixtrans-67.4-36.3175.1-168.2138.261129.21.9113A90 N91 I92 Y97 F98A90-R94 WeakPolarHBondContact O-CB 3.2Å; A90-R94 PolarHBondContact O-N 3.29Å; N91-R94 PolarHBondContact O-N 3.44Å; N91-R94 PolarHBondContact OD1-NH2 3.17Å; N91-R94 VanDerWaalsContact OD1-NH2 3.13Å; I92-R94 PolarHBondContact O-N 2.95Å; R94-Y97 WeakPolarHBondContact O-CB 3.17Å; R94-Y97 PolarHBondContact O-N 3.39Å; R94-F98 HydrophobicContact CG-CD2 4.02Å; R94-F98 HydrophobicContact CG-CE2 3.57Å; R94-F98 HydrophobicContact CG-CZ 4.42Å; R94-F98 WeakPolarHBondContact O-CD2 3.38Å; R94-F98 PolarHBondContact O-N 3.16Å
95A93.9Very high92.4Very high6 Ų635 Ų355%0.0518%0.177CC..Hα-helixtrans-62.6-46.6172.200000111.1I69 N91 I92 Y97 F98 I99I69-A95 HydrophobicContact CG1-CB 3.86Å; N91-A95 PolarHBondContact O-N 3.02Å; I92-A95 WeakPolarHBondContact O-CB 3.44Å; I92-A95 PolarHBondContact O-N 3.07Å; A95-Y97 VanDerWaalsContact C-N 3.34Å; A95-Y97 PolarHBondContact O-N 3.39Å; A95-F98 PolarHBondContact O-N 3.34Å; A95-F98 VanDerWaalsContact O-N 3.17Å; A95-I99 WeakPolarHBondContact O-CG1 3.24Å; A95-I99 PolarHBondContact O-N 3.46Å
96L94.7Very high92.5Very high62 Ų6230.5 Ų30.533%0.32516%0.156SC..Hα-helixtrans-60.5-41.9176.1-66.3174.9000112I92 N93 F98 I99 C100 Y127I92-L96 HydrophobicContact CG2-CD1 4.42Å; I92-L96 PolarHBondContact O-N 3.49Å; N93-L96 PolarHBondContact O-N 2.83Å; L96-F98 PolarHBondContact O-N 2.59Å; L96-I99 PolarHBondContact O-N 3.15Å; L96-C100 PolarHBondContact O-N 2.94Å; L96-C100 PolarHBondContact O-SG 2.64Å; L96-C100 VanDerWaalsContact O-SG 3.42Å; L96-Y127 HydrophobicContact CB-CD1 4.03Å; L96-Y127 HydrophobicContact CB-CD2 3.77Å; L96-Y127 HydrophobicContact CB-CE1 4.28Å; L96-Y127 HydrophobicContact CB-CE2 4.03Å; L96-Y127 HydrophobicContact CB-CG 3.78Å; L96-Y127 HydrophobicContact CD1-CD1 3.89Å; L96-Y127 HydrophobicContact CD1-CE1 3.64Å; L96-Y127 HydrophobicContact CD1-CG 4.5Å
97Y94.7Very high92.6Very high33 Ų3332.8 Ų32.813%0.12916%0.163CC..Hα-helixtrans-54.5-51171.9161.4-101.1000111.9R61 N93 R94 A95 I99 C100 D101 A124R61-Y97 PolarHBondContact NH1-OH 3.24Å; R61-Y97 VanDerWaalsContact NH1-OH 3.08Å; N93-Y97 WeakPolarHBondContact O-CB 3.24Å; N93-Y97 PolarHBondContact O-N 2.91Å; R94-Y97 WeakPolarHBondContact O-CB 3.17Å; R94-Y97 PolarHBondContact O-N 3.39Å; A95-Y97 VanDerWaalsContact C-N 3.34Å; A95-Y97 PolarHBondContact O-N 3.39Å; Y97-I99 VanDerWaalsContact C-N 3.34Å; Y97-I99 PolarHBondContact O-N 3Å; Y97-C100 PolarHBondContact O-N 3.39Å; Y97-D101 WeakPolarHBondContact O-CB 3.24Å; Y97-D101 PolarHBondContact O-N 2.62Å; Y97-A124 HydrophobicContact CD2-CB 3.94Å; Y97-A124 WeakPolarHBondContact CD2-O 3.38Å; Y97-A124 HydrophobicContact CE2-CB 4.29Å
98F93.2Very high92.4Very high16 Ų1635.6 Ų35.67%0.0718%0.178CC..Hα-helixtrans-65.4-36.3-179.8-75-56.9000112.7R61 N64 A65 S68 R94 A95 L96 C100 D101 N102R61-F98 HydrophobicContact CB-CD1 4.24Å; R61-F98 HydrophobicContact CB-CE1 3.92Å; R61-F98 HydrophobicContact CG-CE1 3.95Å; N64-F98 HydrophobicContact CB-CD1 3.98Å; N64-F98 HydrophobicContact CB-CD2 3.77Å; N64-F98 HydrophobicContact CB-CE1 3.79Å; N64-F98 HydrophobicContact CB-CE2 3.56Å; N64-F98 HydrophobicContact CB-CG 3.99Å; N64-F98 HydrophobicContact CB-CZ 3.58Å; A65-F98 HydrophobicContact CB-CB 3.91Å; S68-F98 WeakPolarHBondContact OG-CD2 3.42Å; S68-F98 WeakPolarHBondContact OG-CE2 3.47Å; R94-F98 HydrophobicContact CG-CD2 4.02Å; R94-F98 HydrophobicContact CG-CE2 3.57Å; R94-F98 HydrophobicContact CG-CZ 4.42Å; R94-F98 WeakPolarHBondContact O-CD2 3.38Å; R94-F98 PolarHBondContact O-N 3.16Å; A95-F98 PolarHBondContact O-N 3.34Å; A95-F98 VanDerWaalsContact O-N 3.17Å; L96-F98 PolarHBondContact O-N 2.59Å; F98-C100 VanDerWaalsContact C-N 3.33Å; F98-D101 PolarHBondContact O-N 3.48Å; F98-N102 VanDerWaalsContact O-CB 3.28Å; F98-N102 WeakPolarHBondContact O-CB 3.45Å; F98-N102 PolarHBondContact O-N 2.74Å; F98-N102 PolarHBondContact O-ND2 2.92Å; F98-N102 PolarHBondContact O-OD1 3.42Å
99I93.2Very high92.3Very high82 Ų8238.9 Ų38.942%0.42120%0.199SC..Hα-helixtrans-60.5-46.3174.1-69.1164.8000110A65 A95 L96 Y97 N102 A103A65-I99 HydrophobicContact CB-CG1 4.17Å; A95-I99 WeakPolarHBondContact O-CG1 3.24Å; A95-I99 PolarHBondContact O-N 3.46Å; L96-I99 PolarHBondContact O-N 3.15Å; Y97-I99 VanDerWaalsContact C-N 3.34Å; Y97-I99 PolarHBondContact O-N 3Å; I99-N102 PolarHBondContact O-N 2.87Å; I99-A103 PolarHBondContact O-N 3.42Å
100C92.8Very high92.1Very high8 Ų838.8 Ų38.85%0.05421%0.206CC..Hα-helixtrans-66.3-41.3177.2-65.60000112.9L96 Y97 F98 N102 A103 V104 W120 A124L96-C100 PolarHBondContact O-N 2.94Å; L96-C100 PolarHBondContact O-SG 2.64Å; L96-C100 VanDerWaalsContact O-SG 3.42Å; Y97-C100 PolarHBondContact O-N 3.39Å; F98-C100 VanDerWaalsContact C-N 3.33Å; C100-N102 VanDerWaalsContact C-N 3.33Å; C100-N102 PolarHBondContact O-N 2.74Å; C100-A103 PolarHBondContact O-N 2.86Å; C100-V104 WeakPolarHBondContact O-CG2 3.31Å; C100-V104 PolarHBondContact O-N 3.11Å; C100-W120 HydrophobicContact CB-CE3 4.07Å; C100-A124 HydrophobicContact CB-CB 3.64Å
101D92.1Very high91.8Very high11 Ų1144.6 Ų44.66%0.05924%0.237CC..Hα-helixtrans-62.4-41.3177.2-16241.8000110.9R61 Y97 F98 V104 W105R61-D101 IonicContact NH1-OD2 3.03Å; R61-D101 PolarHBondContact NH1-OD2 2.77Å; Y97-D101 WeakPolarHBondContact O-CB 3.24Å; Y97-D101 PolarHBondContact O-N 2.62Å; F98-D101 PolarHBondContact O-N 3.48Å; D101-V104 PolarHBondContact O-N 2.86Å; D101-W105 WeakPolarHBondContact O-CB 3.45Å; D101-W105 PolarHBondContact O-N 2.79Å
102N92.2Very high91.6Very high38 Ų3846.9 Ų46.920%0.20325%0.248CC..Hα-helixtrans-66.1-40.3176.4-67.6-8.9000112F98 I99 C100 W105 A106F98-N102 VanDerWaalsContact O-CB 3.28Å; F98-N102 WeakPolarHBondContact O-CB 3.45Å; F98-N102 PolarHBondContact O-N 2.74Å; F98-N102 PolarHBondContact O-ND2 2.92Å; F98-N102 PolarHBondContact O-OD1 3.42Å; I99-N102 PolarHBondContact O-N 2.87Å; C100-N102 VanDerWaalsContact C-N 3.33Å; C100-N102 PolarHBondContact O-N 2.74Å; N102-W105 PolarHBondContact O-N 3.18Å; N102-A106 WeakPolarHBondContact O-CB 3.37Å; N102-A106 PolarHBondContact O-N 3.44Å
103A91.8Very high90.9Very high12 Ų1253.7 Ų53.710%0.09927%0.268CS..Hα-helixtrans-63.5-42.2174.900000111.7I99 C100 A106 K107 I115 W120I99-A103 PolarHBondContact O-N 3.42Å; C100-A103 PolarHBondContact O-N 2.86Å; A103-A106 PolarHBondContact O-N 2.93Å; A103-K107 PolarHBondContact O-N 3.42Å; A103-I115 HydrophobicContact CB-CD1 4.32Å; A103-W120 HydrophobicContact CB-CD2 4.24Å; A103-W120 HydrophobicContact CB-CE3 3.61Å; A103-W120 HydrophobicContact CB-CH2 4.43Å; A103-W120 HydrophobicContact CB-CZ3 3.72Å
104V91.2Very high90.2Very high7 Ų758.2 Ų58.24%0.04230%0.302CS..Hα-helixtrans-64-42.1174.5169.80000111C100 D101 K107 N108 K117 W120C100-V104 WeakPolarHBondContact O-CG2 3.31Å; C100-V104 PolarHBondContact O-N 3.11Å; D101-V104 PolarHBondContact O-N 2.86Å; V104-K107 PolarHBondContact O-N 3.08Å; V104-N108 VanDerWaalsContact O-CG 3.29Å; V104-N108 PolarHBondContact O-N 3Å; V104-N108 VanDerWaalsContact O-N 3.1Å; V104-N108 PolarHBondContact O-ND2 3.27Å; V104-K117 HydrophobicContact CG1-CG 4.26Å; V104-W120 HydrophobicContact CG2-CB 3.72Å
105W90.6Very high89.9Confident60 Ų6055.6 Ų55.623%0.22729%0.294CS..Hα-helixtrans-62.1-49175.4173.183.2000111.7L59 L62 D101 N102 K107 N108 V109 L111L59-W105 HydrophobicContact CD2-CZ2 3.46Å; L59-W105 VanDerWaalsContact CD2-CZ2 3.46Å; L62-W105 HydrophobicContact CD1-CH2 3.93Å; L62-W105 HydrophobicContact CD1-CZ2 4.08Å; L62-W105 HydrophobicContact CD1-CZ3 4.17Å; L62-W105 HydrophobicContact CD2-CD2 4.27Å; L62-W105 HydrophobicContact CD2-CE3 3.87Å; L62-W105 HydrophobicContact CD2-CZ3 4.07Å; D101-W105 WeakPolarHBondContact O-CB 3.45Å; D101-W105 PolarHBondContact O-N 2.79Å; N102-W105 PolarHBondContact O-N 3.18Å; W105-K107 VanDerWaalsContact C-N 3.26Å; W105-K107 PolarHBondContact O-N 3.24Å; W105-N108 PolarHBondContact O-N 3.25Å; W105-V109 HydrophobicContact CD2-CG2 4.32Å; W105-V109 HydrophobicContact CZ2-CG2 3.92Å; W105-V109 PolarHBondContact O-N 3.46Å; W105-V109 VanDerWaalsContact O-N 3.08Å; W105-L111 HydrophobicContact CZ3-CD1 4.35Å
106A90.4Very high89.8Confident12 Ų1259.6 Ų59.610%0.09931%0.314CS..Hα-helixtrans-58.6-38.1178.400000112N102 A103 V109 G110 L111 I112N102-A106 WeakPolarHBondContact O-CB 3.37Å; N102-A106 PolarHBondContact O-N 3.44Å; A103-A106 PolarHBondContact O-N 2.93Å; A106-V109 PolarHBondContact O-N 2.9Å; A106-G110 PolarHBondContact O-N 2.9Å; A106-L111 HydrophobicContact CB-CB 4.29Å; A106-L111 HydrophobicContact CB-CD1 4.4Å; A106-L111 WeakPolarHBondContact O-CB 3.48Å; A106-L111 PolarHBondContact O-N 3.3Å; A106-I112 HydrophobicContact CB-CD1 3.84Å; A106-I112 HydrophobicContact CB-CG1 4.16Å
107K90.4Very high89.5Confident66 Ų6661.4 Ų61.429%0.28732%0.319SS..Hα-helixtrans-63.1-44171.2175.3163.8-178.7172.20112.7A103 V104 W105 V109 G110 I112 I115 K117A103-K107 PolarHBondContact O-N 3.42Å; V104-K107 PolarHBondContact O-N 3.08Å; W105-K107 VanDerWaalsContact C-N 3.26Å; W105-K107 PolarHBondContact O-N 3.24Å; K107-V109 PolarHBondContact O-N 2.89Å; K107-G110 PolarHBondContact O-N 3.22Å; K107-I112 WeakPolarHBondContact CA-O 3.42Å; K107-I115 HydrophobicContact CD-CB 4.35Å; K107-I115 WeakPolarHBondContact CD-O 3.35Å; K107-I115 WeakPolarHBondContact CE-O 3.41Å; K107-I115 PolarHBondContact NZ-O 3.24Å; K107-K117 HydrophobicContact CD-CB 4.07Å
108N87.5Confident89.4Confident74 Ų7466.1 Ų66.140%0.39634%0.343SS..Hα-helixtrans-65.5-28.5-179.7-64.3-47.6000112.7V104 W105 G110 K117V104-N108 VanDerWaalsContact O-CG 3.29Å; V104-N108 PolarHBondContact O-N 3Å; V104-N108 VanDerWaalsContact O-N 3.1Å; V104-N108 PolarHBondContact O-ND2 3.27Å; W105-N108 PolarHBondContact O-N 3.25Å; N108-G110 VanDerWaalsContact C-N 3.3Å; N108-K117 WeakPolarHBondContact OD1-CE 3.47Å; N108-K117 PolarHBondContact OD1-NZ 3.5Å
109V88.3Confident89.4Confident85 Ų8573.5 Ų73.552%0.51537%0.37SS..Hα-helixtrans-82.9-9.7175.1-179.60000112W105 A106 K107 L111W105-V109 HydrophobicContact CD2-CG2 4.32Å; W105-V109 HydrophobicContact CZ2-CG2 3.92Å; W105-V109 PolarHBondContact O-N 3.46Å; W105-V109 VanDerWaalsContact O-N 3.08Å; A106-V109 PolarHBondContact O-N 2.9Å; K107-V109 PolarHBondContact O-N 2.89Å; V109-L111 HydrophobicContact CG1-CG 4.34Å
110G87.5Confident89.4Confident42 Ų4273.8 Ų73.843%0.43337%0.366SS..THydrogen-bonded Turntrans87.87.1178.700000115A106 K107 N108 I112A106-G110 PolarHBondContact O-N 2.9Å; K107-G110 PolarHBondContact O-N 3.22Å; N108-G110 VanDerWaalsContact C-N 3.3Å; G110-I112 VanDerWaalsContact C-N 3.33Å
111L88.3Confident89.4Confident123 Ų12374.3 Ų74.364%0.64437%0.37SS*.SBendtrans-68.1-32.3176.6-64.6175.1000112.3W105 A106 V109W105-L111 HydrophobicContact CZ3-CD1 4.35Å; A106-L111 HydrophobicContact CB-CB 4.29Å; A106-L111 HydrophobicContact CB-CD1 4.4Å; A106-L111 WeakPolarHBondContact O-CB 3.48Å; A106-L111 PolarHBondContact O-N 3.3Å; V109-L111 HydrophobicContact CG1-CG 4.34Å
112I87.4Confident89.5Confident59 Ų5976.2 Ų76.230%0.30338%0.38SS..  trans-127.6119.4179.2-51.2172.3000109.6A106 K107 G110 I115A106-I112 HydrophobicContact CB-CD1 3.84Å; A106-I112 HydrophobicContact CB-CG1 4.16Å; K107-I112 WeakPolarHBondContact CA-O 3.42Å; G110-I112 VanDerWaalsContact C-N 3.33Å; I112-I115 HydrophobicContact CB-CD1 4.3Å; I112-I115 HydrophobicContact CD1-CD1 3.89Å; I112-I115 HydrophobicContact CG2-CB 4.27Å; I112-I115 HydrophobicContact CG2-CD1 3.56Å; I112-I115 HydrophobicContact CG2-CG1 3.65Å
113R79.6Confident89.6Confident228 Ų22876.5 Ų76.586%0.8638%0.381SS*.SBendtrans-93.1-30.7-175.1-66.1-176.6179.3-179.8-1114.1
114S80.9Confident89.8Confident116 Ų11676.1 Ų76.181%0.81138%0.378SS*.SBendtrans-91.70.2-167.5540000116
115I87.8Confident89.9Confident28 Ų2876 Ų7614%0.14438%0.377CS..SBendtrans-84137.6-176.1-75.6179000111.8A103 K107 I112 K117 W120A103-I115 HydrophobicContact CB-CD1 4.32Å; K107-I115 HydrophobicContact CD-CB 4.35Å; K107-I115 WeakPolarHBondContact CD-O 3.35Å; K107-I115 WeakPolarHBondContact CE-O 3.41Å; K107-I115 PolarHBondContact NZ-O 3.24Å; I112-I115 HydrophobicContact CB-CD1 4.3Å; I112-I115 HydrophobicContact CD1-CD1 3.89Å; I112-I115 HydrophobicContact CG2-CB 4.27Å; I112-I115 HydrophobicContact CG2-CD1 3.56Å; I112-I115 HydrophobicContact CG2-CG1 3.65Å; I115-K117 PolarHBondContact O-N 3.34Å; I115-W120 HydrophobicContact CD1-CZ2 4.43Å; I115-W120 HydrophobicContact CG2-CB 4.42Å; I115-W120 HydrophobicContact CG2-CD2 4.14Å; I115-W120 HydrophobicContact CG2-CG 3.7Å
116N90.4Very high90.2Very high90 Ų9079.3 Ų79.348%0.48139%0.389SS..  trans-74107.2169-175.8-35.8000110.7E118 R119 W120N116-E118 VanDerWaalsContact C-N 3.32Å; N116-E118 PolarHBondContact O-N 3.05Å; N116-E118 PolarHBondContact OD1-N 3.17Å; N116-R119 HydrophobicContact CB-CB 4.01Å; N116-R119 PolarHBondContact O-N 3.28Å; N116-R119 PolarHBondContact OD1-N 3.21Å; N116-W120 PolarHBondContact O-N 3.27Å
117K89.8Confident90.5Very high99 Ų9982.1 Ų82.143%0.4340%0.398SS..Hα-helixtrans-57.9-43.4-177177.7173.7170.9172.60112.2V104 K107 N108 I115 S121V104-K117 HydrophobicContact CG1-CG 4.26Å; K107-K117 HydrophobicContact CD-CB 4.07Å; N108-K117 WeakPolarHBondContact OD1-CE 3.47Å; N108-K117 PolarHBondContact OD1-NZ 3.5Å; I115-K117 PolarHBondContact O-N 3.34Å; K117-S121 WeakPolarHBondContact O-CB 3.44Å; K117-S121 PolarHBondContact O-N 3.36Å
118E91.1Very high90.8Very high133 Ų13380.6 Ų80.662%0.62139%0.391SS*.Hα-helixtrans-68.8-48.5-175.2-175.2176.1-175.100111.1N116 W120 S121 I122N116-E118 VanDerWaalsContact C-N 3.32Å; N116-E118 PolarHBondContact O-N 3.05Å; N116-E118 PolarHBondContact OD1-N 3.17Å; E118-W120 VanDerWaalsContact C-N 3.33Å; E118-W120 PolarHBondContact O-N 3.33Å; E118-S121 WeakPolarHBondContact O-CB 3.37Å; E118-S121 PolarHBondContact O-N 3Å; E118-S121 VanDerWaalsContact O-N 3.14Å; E118-I122 HydrophobicContact CG-CD1 3.92Å; E118-I122 WeakPolarHBondContact O-CG1 3.35Å; E118-I122 PolarHBondContact O-N 3.25Å
119R93.1Very high91.2Very high171 Ų17178.4 Ų78.465%0.64538%0.379SS*.Hα-helixtrans-57.6-45.4178-173176.3-180-1790.3112.1N116 I122 N123N116-R119 HydrophobicContact CB-CB 4.01Å; N116-R119 PolarHBondContact O-N 3.28Å; N116-R119 PolarHBondContact OD1-N 3.21Å; R119-I122 PolarHBondContact O-N 3.43Å; R119-N123 WeakPolarHBondContact O-CB 3.38Å; R119-N123 PolarHBondContact O-N 2.95Å
120W93.9Very high91.6Very high87 Ų8779.8 Ų79.833%0.3338%0.378SS..Hα-helixtrans-69.1-35.5178.7-77.972.5000112.5C100 A103 V104 I115 N116 E118 A124C100-W120 HydrophobicContact CB-CE3 4.07Å; A103-W120 HydrophobicContact CB-CD2 4.24Å; A103-W120 HydrophobicContact CB-CE3 3.61Å; A103-W120 HydrophobicContact CB-CH2 4.43Å; A103-W120 HydrophobicContact CB-CZ3 3.72Å; V104-W120 HydrophobicContact CG2-CB 3.72Å; I115-W120 HydrophobicContact CD1-CZ2 4.43Å; I115-W120 HydrophobicContact CG2-CB 4.42Å; I115-W120 HydrophobicContact CG2-CD2 4.14Å; I115-W120 HydrophobicContact CG2-CG 3.7Å; N116-W120 PolarHBondContact O-N 3.27Å; E118-W120 VanDerWaalsContact C-N 3.33Å; E118-W120 PolarHBondContact O-N 3.33Å; W120-A124 WeakPolarHBondContact O-CB 3.45Å; W120-A124 PolarHBondContact O-N 3.1Å
121S92.9Very high92Very high19 Ų1977.9 Ų77.913%0.13336%0.358CS..Hα-helixtrans-63.4-43172.5153.50000112.7K117 E118 S125 R212K117-S121 WeakPolarHBondContact O-CB 3.44Å; K117-S121 PolarHBondContact O-N 3.36Å; E118-S121 WeakPolarHBondContact O-CB 3.37Å; E118-S121 PolarHBondContact O-N 3Å; E118-S121 VanDerWaalsContact O-N 3.14Å; S121-S125 PolarHBondContact O-N 2.96Å; S121-S125 VanDerWaalsContact O-N 3.12Å; S121-S125 PolarHBondContact O-OG 3.03Å; S121-R212 PolarHBondContact OG-NE 2.98Å; S121-R212 PolarHBondContact OG-NH2 3.14Å
122I94.7Very high92.3Very high52 Ų5272.3 Ų72.327%0.26733%0.329SS..Hα-helixtrans-65.8-47.2176.1-70.3169.2000109.8E118 R119 A124 S125 R126 L213E118-I122 HydrophobicContact CG-CD1 3.92Å; E118-I122 WeakPolarHBondContact O-CG1 3.35Å; E118-I122 PolarHBondContact O-N 3.25Å; R119-I122 PolarHBondContact O-N 3.43Å; I122-A124 PolarHBondContact O-N 2.9Å; I122-S125 WeakPolarHBondContact O-CA 3.31Å; I122-S125 WeakPolarHBondContact O-CB 3.27Å; I122-S125 PolarHBondContact O-N 3.36Å; I122-R126 WeakPolarHBondContact O-CG 3.39Å; I122-R126 PolarHBondContact O-N 3.16Å; I122-L213 HydrophobicContact CG2-CD2 3.9Å
123N94.9Very high92.7Very high44 Ų4472.4 Ų72.424%0.23533%0.332CS..Hα-helixtrans-60.6-42.5177.2-82.421.3000112.4R119 S125 R126 Y127R119-N123 WeakPolarHBondContact O-CB 3.38Å; R119-N123 PolarHBondContact O-N 2.95Å; N123-S125 VanDerWaalsContact C-N 3.26Å; N123-S125 PolarHBondContact O-N 3.26Å; N123-R126 WeakPolarHBondContact O-CB 3.41Å; N123-R126 PolarHBondContact O-N 3.42Å; N123-R126 VanDerWaalsContact O-N 3.16Å; N123-Y127 HydrophobicContact CB-CE2 4.24Å; N123-Y127 WeakPolarHBondContact O-CD2 3.32Å; N123-Y127 PolarHBondContact O-N 3.47Å
124A94.3Very high93.5Very high3 Ų363.9 Ų63.93%0.02530%0.303CS..Hα-helixtrans-54.5-46.1172.300000110.9Y97 C100 W120 I122 R126 Y127 Y128Y97-A124 HydrophobicContact CD2-CB 3.94Å; Y97-A124 WeakPolarHBondContact CD2-O 3.38Å; Y97-A124 HydrophobicContact CE2-CB 4.29Å; C100-A124 HydrophobicContact CB-CB 3.64Å; W120-A124 WeakPolarHBondContact O-CB 3.45Å; W120-A124 PolarHBondContact O-N 3.1Å; I122-A124 PolarHBondContact O-N 2.9Å; A124-R126 VanDerWaalsContact C-N 3.33Å; A124-R126 PolarHBondContact O-N 2.97Å; A124-Y127 PolarHBondContact O-N 3.45Å; A124-Y128 WeakPolarHBondContact O-CB 3.5Å; A124-Y128 PolarHBondContact O-N 2.94Å
125S94.9Very high94.1Very high4 Ų459.2 Ų59.23%0.02827%0.269CS..Hα-helixtrans-64-36.9179.8-520000112.4S121 I122 N123 Y128 L129 P209 R212S121-S125 PolarHBondContact O-N 2.96Å; S121-S125 VanDerWaalsContact O-N 3.12Å; S121-S125 PolarHBondContact O-OG 3.03Å; I122-S125 WeakPolarHBondContact O-CA 3.31Å; I122-S125 WeakPolarHBondContact O-CB 3.27Å; I122-S125 PolarHBondContact O-N 3.36Å; N123-S125 VanDerWaalsContact C-N 3.26Å; N123-S125 PolarHBondContact O-N 3.26Å; S125-Y128 PolarHBondContact O-N 3.34Å; S125-L129 WeakPolarHBondContact O-CB 3.41Å; S125-L129 PolarHBondContact O-N 2.93Å; S125-P209 WeakPolarHBondContact O-CB 3.32Å; S125-R212 WeakPolarHBondContact OG-CD 3.48Å; S125-R212 WeakPolarHBondContact OG-CG 3.38Å; S125-R212 PolarHBondContact OG-NE 3.15Å
126R96.3Very high94.4Very high130 Ų13059.6 Ų59.649%0.49127%0.271SS..Hα-helixtrans-63.5-50.3173.3-67.3178.2177.3171.5-4.5111.8I122 N123 A124 Y128 L129 F130 L213I122-R126 WeakPolarHBondContact O-CG 3.39Å; I122-R126 PolarHBondContact O-N 3.16Å; N123-R126 WeakPolarHBondContact O-CB 3.41Å; N123-R126 PolarHBondContact O-N 3.42Å; N123-R126 VanDerWaalsContact O-N 3.16Å; A124-R126 VanDerWaalsContact C-N 3.33Å; A124-R126 PolarHBondContact O-N 2.97Å; R126-Y128 VanDerWaalsContact C-N 3.28Å; R126-Y128 PolarHBondContact O-N 2.91Å; R126-L129 WeakPolarHBondContact O-CB 3.35Å; R126-L129 PolarHBondContact O-N 2.82Å; R126-L129 VanDerWaalsContact O-N 3.16Å; R126-F130 WeakPolarHBondContact O-CD2 3.42Å; R126-F130 PolarHBondContact O-N 2.88Å; R126-L213 HydrophobicContact CG-CD1 4.1Å; R126-L213 HydrophobicContact CG-CD2 3.61Å
127Y96.7Very high94.6Very high71 Ų7158.5 Ų58.528%0.27827%0.267SS..Hα-helixtrans-62.9-36.6178.5-65.9-52.2000112.1N93 L96 N123 A124 F130 S131N93-Y127 WeakPolarHBondContact O-CB 3.14Å; L96-Y127 HydrophobicContact CB-CD1 4.03Å; L96-Y127 HydrophobicContact CB-CD2 3.77Å; L96-Y127 HydrophobicContact CB-CE1 4.28Å; L96-Y127 HydrophobicContact CB-CE2 4.03Å; L96-Y127 HydrophobicContact CB-CG 3.78Å; L96-Y127 HydrophobicContact CD1-CD1 3.89Å; L96-Y127 HydrophobicContact CD1-CE1 3.64Å; L96-Y127 HydrophobicContact CD1-CG 4.5Å; N123-Y127 HydrophobicContact CB-CE2 4.24Å; N123-Y127 WeakPolarHBondContact O-CD2 3.32Å; N123-Y127 PolarHBondContact O-N 3.47Å; A124-Y127 PolarHBondContact O-N 3.45Å; Y127-F130 PolarHBondContact O-N 3.39Å; Y127-S131 WeakPolarHBondContact O-CB 3.49Å; Y127-S131 PolarHBondContact O-N 3.11Å
128Y96.2Very high94.8Very high34 Ų3454.8 Ų54.813%0.13325%0.251CS..Hα-helixtrans-64-43.7173.4-176.1-132.9000111.9A124 S125 R126 S131 L132 D205 P209A124-Y128 WeakPolarHBondContact O-CB 3.5Å; A124-Y128 PolarHBondContact O-N 2.94Å; S125-Y128 PolarHBondContact O-N 3.34Å; R126-Y128 VanDerWaalsContact C-N 3.28Å; R126-Y128 PolarHBondContact O-N 2.91Å; Y128-S131 WeakPolarHBondContact O-CB 3.3Å; Y128-S131 PolarHBondContact O-N 3.24Å; Y128-L132 HydrophobicContact CD1-CD1 4.22Å; Y128-L132 HydrophobicContact CD2-CG 4.36Å; Y128-L132 HydrophobicContact CE1-CD1 3.87Å; Y128-L132 HydrophobicContact CE2-CD1 4.17Å; Y128-L132 HydrophobicContact CE2-CD2 4.16Å; Y128-L132 HydrophobicContact CE2-CG 4.01Å; Y128-L132 WeakPolarHBondContact O-CG 3.49Å; Y128-L132 PolarHBondContact O-N 3.39Å; Y128-D205 WeakPolarHBondContact OH-CB 3.46Å; Y128-D205 VanDerWaalsContact OH-CG 3.27Å; Y128-D205 PolarHBondContact OH-OD2 3Å; Y128-P209 HydrophobicContact CD1-CB 4.14Å; Y128-P209 HydrophobicContact CD1-CG 3.94Å; Y128-P209 HydrophobicContact CE1-CG 4.32Å
129L96.6Very high94.9Very high29 Ų2948.5 Ų48.515%0.15222%0.221CC..Hα-helixtrans-58.2-49.5174.4-17960.3000111.7S125 R126 S131 L132 V133 L206 P209 L210 L213 I215S125-L129 WeakPolarHBondContact O-CB 3.41Å; S125-L129 PolarHBondContact O-N 2.93Å; R126-L129 WeakPolarHBondContact O-CB 3.35Å; R126-L129 PolarHBondContact O-N 2.82Å; R126-L129 VanDerWaalsContact O-N 3.16Å; L129-S131 VanDerWaalsContact C-N 3.29Å; L129-S131 PolarHBondContact O-N 2.75Å; L129-L132 WeakPolarHBondContact O-CB 3.41Å; L129-L132 PolarHBondContact O-N 3.17Å; L129-L132 VanDerWaalsContact O-N 3.1Å; L129-V133 HydrophobicContact CD1-CG2 4.3Å; L129-V133 HydrophobicContact CG-CG2 4.49Å; L129-V133 WeakPolarHBondContact O-CG2 3.39Å; L129-V133 PolarHBondContact O-N 3.39Å; L129-L206 HydrophobicContact CD1-CD1 3.54Å; L129-P209 HydrophobicContact CB-CB 3.98Å; L129-P209 HydrophobicContact CB-CG 4.13Å; L129-P209 HydrophobicContact CD1-CG 4.05Å; L129-L210 HydrophobicContact CD1-CD2 4.24Å; L129-L210 HydrophobicContact CD1-CG 4.47Å; L129-L210 HydrophobicContact CD2-CD2 4.41Å; L129-L213 HydrophobicContact CB-CD1 4.36Å; L129-L213 HydrophobicContact CD2-CD1 3.78Å; L129-I215 HydrophobicContact CD2-CD1 3.97Å
130F96.1Very high94.8Very high114 Ų11445 Ų4550%0.522%0.215SC..Hα-helixtrans-59-41.3177.5-81.9-68.1000112.2N93 R126 Y127 L132 V133 M134N93-F130 HydrophobicContact CB-CB 4.39Å; R126-F130 WeakPolarHBondContact O-CD2 3.42Å; R126-F130 PolarHBondContact O-N 2.88Å; Y127-F130 PolarHBondContact O-N 3.39Å; F130-L132 VanDerWaalsContact C-N 3.34Å; F130-L132 PolarHBondContact O-N 2.92Å; F130-V133 PolarHBondContact O-N 3.3Å; F130-M134 VanDerWaalsContact O-CG 3.29Å; F130-M134 WeakPolarHBondContact O-CG 3.48Å; F130-M134 PolarHBondContact O-N 3.39Å
131S96Very high94.8Very high2 Ų243.9 Ų43.91%0.01421%0.211CC..Hα-helixtrans-61.3-41.3175-169.90000112A90 Y127 Y128 L129 N135A90-S131 WeakPolarHBondContact O-CB 3.35Å; A90-S131 PolarHBondContact O-OG 2.9Å; Y127-S131 WeakPolarHBondContact O-CB 3.49Å; Y127-S131 PolarHBondContact O-N 3.11Å; Y128-S131 WeakPolarHBondContact O-CB 3.3Å; Y128-S131 PolarHBondContact O-N 3.24Å; L129-S131 VanDerWaalsContact C-N 3.29Å; L129-S131 PolarHBondContact O-N 2.75Å; S131-N135 PolarHBondContact O-N 2.91Å; S131-N135 VanDerWaalsContact O-N 3.09Å; S131-N135 PolarHBondContact O-ND2 3.13Å
132L95.6Very high94.7Very high5 Ų544.4 Ų44.43%0.02621%0.213CC..Hα-helixtrans-66.4-45.4176.8-73173.4000112.1Y128 L129 F130 M134 N135 L136 D205 L206 P209Y128-L132 HydrophobicContact CD1-CD1 4.22Å; Y128-L132 HydrophobicContact CD2-CG 4.36Å; Y128-L132 HydrophobicContact CE1-CD1 3.87Å; Y128-L132 HydrophobicContact CE2-CD1 4.17Å; Y128-L132 HydrophobicContact CE2-CD2 4.16Å; Y128-L132 HydrophobicContact CE2-CG 4.01Å; Y128-L132 WeakPolarHBondContact O-CG 3.49Å; Y128-L132 PolarHBondContact O-N 3.39Å; L129-L132 WeakPolarHBondContact O-CB 3.41Å; L129-L132 PolarHBondContact O-N 3.17Å; L129-L132 VanDerWaalsContact O-N 3.1Å; F130-L132 VanDerWaalsContact C-N 3.34Å; F130-L132 PolarHBondContact O-N 2.92Å; L132-M134 VanDerWaalsContact C-N 3.31Å; L132-M134 PolarHBondContact O-N 3.39Å; L132-N135 PolarHBondContact O-N 2.65Å; L132-N135 VanDerWaalsContact O-N 3.16Å; L132-L136 WeakPolarHBondContact O-CG 3.39Å; L132-L136 PolarHBondContact O-N 3Å; L132-D205 HydrophobicContact CD1-CB 4.06Å; L132-D205 HydrophobicContact CD2-CB 3.82Å; L132-L206 HydrophobicContact CB-CD1 4.36Å; L132-P209 HydrophobicContact CD1-CG 3.88Å
133V96.1Very high94.5Very high61 Ų6142.4 Ų42.437%0.3720%0.203SC..Hα-helixtrans-58.1-45.9177.5171.30000110.4L129 F130 N135 L136 T137L129-V133 HydrophobicContact CD1-CG2 4.3Å; L129-V133 HydrophobicContact CG-CG2 4.49Å; L129-V133 WeakPolarHBondContact O-CG2 3.39Å; L129-V133 PolarHBondContact O-N 3.39Å; F130-V133 PolarHBondContact O-N 3.3Å; V133-N135 VanDerWaalsContact C-N 3.33Å; V133-N135 PolarHBondContact O-N 3.42Å; V133-L136 PolarHBondContact O-N 2.96Å; V133-T137 PolarHBondContact O-N 2.95Å; V133-T137 PolarHBondContact O-OG1 3.24Å
134M94.4Very high94.3Very high50 Ų5044.2 Ų44.225%0.24621%0.212CC..Hα-helixtrans-64.9-35.4178.1-68.1-67.9156.400113.1V89 A90 F130 L132 R138V89-M134 HydrophobicContact CB-CG 4.33Å; V89-M134 HydrophobicContact CB-SD 4.36Å; V89-M134 HydrophobicContact CG1-CE 4.23Å; V89-M134 HydrophobicContact CG1-CG 3.88Å; V89-M134 HydrophobicContact CG1-SD 4.07Å; A90-M134 HydrophobicContact CB-CB 3.74Å; F130-M134 VanDerWaalsContact O-CG 3.29Å; F130-M134 WeakPolarHBondContact O-CG 3.48Å; F130-M134 PolarHBondContact O-N 3.39Å; L132-M134 VanDerWaalsContact C-N 3.31Å; L132-M134 PolarHBondContact O-N 3.39Å; M134-R138 WeakPolarHBondContact O-CB 3.46Å; M134-R138 PolarHBondContact O-N 2.91Å
135N94Very high94.2Very high18 Ų1847 Ų4710%0.09623%0.225CC..Hα-helixtrans-67.3-41.4172.7-78.3-63.5000111.9S131 L132 V133 R138 D139S131-N135 PolarHBondContact O-N 2.91Å; S131-N135 VanDerWaalsContact O-N 3.09Å; S131-N135 PolarHBondContact O-ND2 3.13Å; L132-N135 PolarHBondContact O-N 2.65Å; L132-N135 VanDerWaalsContact O-N 3.16Å; V133-N135 VanDerWaalsContact C-N 3.33Å; V133-N135 PolarHBondContact O-N 3.42Å; N135-R138 WeakPolarHBondContact O-CB 3.11Å; N135-R138 PolarHBondContact O-N 3.38Å; N135-R138 PolarHBondContact OD1-NH2 3.36Å; N135-R138 VanDerWaalsContact OD1-NH2 3.17Å; N135-D139 PolarHBondContact O-N 3.14Å
136L95.1Very high93.9Very high36 Ų3648.3 Ų48.319%0.18823%0.232CC..Hα-helixtrans-64.8-40.4175.6-73.5170.8000112.2L132 V133 R138 D139 L140 N202 I203 L206L132-L136 WeakPolarHBondContact O-CG 3.39Å; L132-L136 PolarHBondContact O-N 3Å; V133-L136 PolarHBondContact O-N 2.96Å; L136-R138 VanDerWaalsContact C-N 3.3Å; L136-R138 PolarHBondContact O-N 3.34Å; L136-D139 PolarHBondContact O-N 3.17Å; L136-L140 WeakPolarHBondContact O-CB 3.48Å; L136-L140 PolarHBondContact O-N 3.35Å; L136-N202 HydrophobicContact CD2-CB 3.54Å; L136-N202 HydrophobicContact CG-CB 3.88Å; L136-I203 HydrophobicContact CD2-CG1 3.74Å; L136-L206 HydrophobicContact CD1-CD1 4.36Å
137T94.1Very high93.5Very high66 Ų6642.9 Ų42.941%0.40521%0.212SC..Hα-helixtrans-60.7-42.5173.6-58.50000110.9V133 L140 Y141V133-T137 PolarHBondContact O-N 2.95Å; V133-T137 PolarHBondContact O-OG1 3.24Å; T137-L140 PolarHBondContact O-N 2.95Å; T137-Y141 WeakPolarHBondContact O-CB 3.44Å; T137-Y141 PolarHBondContact O-N 3.36Å
138R93.4Very high93.1Very high21 Ų2145.6 Ų45.68%0.07923%0.227CC..Hα-helixtrans-61.3-46.2173.5174.4-93.5-67.7178.10.2111.7L83 C86 L87 M134 N135 L136 Y141 V142 D198L83-R138 HydrophobicContact CD1-CB 4.37Å; L83-R138 HydrophobicContact CD1-CG 3.19Å; C86-R138 HydrophobicContact CB-CB 4.19Å; L87-R138 HydrophobicContact CD2-CG 4.09Å; L87-R138 HydrophobicContact CG-CG 4.25Å; M134-R138 WeakPolarHBondContact O-CB 3.46Å; M134-R138 PolarHBondContact O-N 2.91Å; N135-R138 WeakPolarHBondContact O-CB 3.11Å; N135-R138 PolarHBondContact O-N 3.38Å; N135-R138 PolarHBondContact OD1-NH2 3.36Å; N135-R138 VanDerWaalsContact OD1-NH2 3.17Å; L136-R138 VanDerWaalsContact C-N 3.3Å; L136-R138 PolarHBondContact O-N 3.34Å; R138-Y141 PolarHBondContact O-N 2.91Å; R138-V142 WeakPolarHBondContact O-CG2 3.46Å; R138-V142 PolarHBondContact O-N 3.3Å; R138-D198 IonicContact CZ-OD2 2.91Å; R138-D198 IonicContact NH1-OD2 3.14Å; R138-D198 PolarHBondContact NH1-OD2 3.35Å; R138-D198 IonicContact NH2-OD2 3.2Å; R138-D198 PolarHBondContact NH2-OD2 3.14Å
139D92.9Very high92.6Very high1 Ų149.8 Ų49.81%0.00525%0.246CC..Hα-helixtrans-60.9-46.5179.4-69-24000110.8N135 L136 Y141 V142 I143 T199 N202N135-D139 PolarHBondContact O-N 3.14Å; L136-D139 PolarHBondContact O-N 3.17Å; D139-Y141 PolarHBondContact O-N 2.93Å; D139-V142 PolarHBondContact O-N 2.95Å; D139-I143 WeakPolarHBondContact O-CB 3.46Å; D139-I143 WeakPolarHBondContact O-CD1 3.29Å; D139-I143 VanDerWaalsContact O-CG1 3.22Å; D139-I143 WeakPolarHBondContact O-CG1 3.46Å; D139-I143 PolarHBondContact O-N 3.31Å; D139-T199 WeakPolarHBondContact CB-OG1 3.46Å; D139-N202 PolarHBondContact OD2-ND2 3.33Å
140L93Very high92.1Very high98 Ų9850.3 Ų50.351%0.51325%0.247SC..Hα-helixtrans-59.4-46175.6179.861.2000111.6L136 T137 V142 I143 L144L136-L140 WeakPolarHBondContact O-CB 3.48Å; L136-L140 PolarHBondContact O-N 3.35Å; T137-L140 PolarHBondContact O-N 2.95Å; L140-V142 VanDerWaalsContact C-N 3.35Å; L140-V142 PolarHBondContact O-N 3.04Å; L140-I143 PolarHBondContact O-N 2.85Å; L140-L144 HydrophobicContact CD1-CD1 4.22Å; L140-L144 HydrophobicContact CD1-CG 4.15Å; L140-L144 HydrophobicContact CG-CD1 4.03Å; L140-L144 HydrophobicContact CG-CG 4.39Å; L140-L144 WeakPolarHBondContact O-CB 3.32Å; L140-L144 VanDerWaalsContact O-CG 3.25Å; L140-L144 WeakPolarHBondContact O-CG 3.24Å; L140-L144 PolarHBondContact O-N 3.43Å
141Y92.3Very high91.3Very high63 Ų6346.1 Ų46.125%0.24724%0.236CC..Hα-helixtrans-58.8-45.5177.6175.2-102.8000112.1D80 L82 L83 T137 R138 D139 L144 Q145D80-Y141 PolarHBondContact OD1-OH 3.14Å; D80-Y141 VanDerWaalsContact OD2-CE1 3.27Å; D80-Y141 WeakPolarHBondContact OD2-CE1 3.41Å; D80-Y141 PolarHBondContact OD2-OH 2.92Å; L82-Y141 HydrophobicContact CD1-CE2 4.12Å; L83-Y141 HydrophobicContact CB-CE1 4.43Å; T137-Y141 WeakPolarHBondContact O-CB 3.44Å; T137-Y141 PolarHBondContact O-N 3.36Å; R138-Y141 PolarHBondContact O-N 2.91Å; D139-Y141 PolarHBondContact O-N 2.93Å; Y141-L144 PolarHBondContact O-N 3.32Å; Y141-Q145 HydrophobicContact CE1-CG 4.41Å; Y141-Q145 VanDerWaalsContact CE1-NE2 3.28Å; Y141-Q145 PolarHBondContact O-N 3.05Å; Y141-Q145 PolarHBondContact OH-NE2 3.37Å
142V91.4Very high90.5Very high30 Ų3054.3 Ų54.318%0.18227%0.266CS..Hα-helixtrans-64.8-43.7177.3174.20000111L83 R138 D139 L140 L144 Q145 L146 V195L83-V142 HydrophobicContact CD1-CG2 4.35Å; R138-V142 WeakPolarHBondContact O-CG2 3.46Å; R138-V142 PolarHBondContact O-N 3.3Å; D139-V142 PolarHBondContact O-N 2.95Å; L140-V142 VanDerWaalsContact C-N 3.35Å; L140-V142 PolarHBondContact O-N 3.04Å; V142-L144 VanDerWaalsContact C-N 3.34Å; V142-L144 PolarHBondContact O-N 3.14Å; V142-Q145 PolarHBondContact O-N 3.31Å; V142-L146 HydrophobicContact CG1-CD1 3.85Å; V142-L146 HydrophobicContact CG1-CG 4.39Å; V142-L146 VanDerWaalsContact O-CG 3.27Å; V142-L146 WeakPolarHBondContact O-CG 3.49Å; V142-L146 PolarHBondContact O-N 3.13Å; V142-V195 HydrophobicContact CG1-CG1 4.27Å; V142-V195 HydrophobicContact CG1-CG2 3.74Å
143I91.5Very high90Very high10 Ų1057.3 Ų57.35%0.05128%0.283CS..Hα-helixtrans-57.9-47.7175.5-70.6164.1000110.3D139 L140 Q145 L146 M147 L185 L189 V195 T199D139-I143 WeakPolarHBondContact O-CB 3.46Å; D139-I143 WeakPolarHBondContact O-CD1 3.29Å; D139-I143 VanDerWaalsContact O-CG1 3.22Å; D139-I143 WeakPolarHBondContact O-CG1 3.46Å; D139-I143 PolarHBondContact O-N 3.31Å; L140-I143 PolarHBondContact O-N 2.85Å; I143-Q145 PolarHBondContact O-N 3.21Å; I143-L146 PolarHBondContact O-N 3.3Å; I143-L146 VanDerWaalsContact O-N 3.16Å; I143-M147 HydrophobicContact CG2-CG 4.16Å; I143-M147 HydrophobicContact CG2-SD 3.7Å; I143-M147 WeakPolarHBondContact O-CB 3.41Å; I143-M147 VanDerWaalsContact O-CG 3.25Å; I143-M147 WeakPolarHBondContact O-CG 3.19Å; I143-M147 PolarHBondContact O-N 2.87Å; I143-L185 HydrophobicContact CG2-CD1 3.49Å; I143-L185 VanDerWaalsContact CG2-CD1 3.49Å; I143-L189 HydrophobicContact CD1-CD2 3.82Å; I143-L189 HydrophobicContact CG1-CD2 4.22Å; I143-V195 HydrophobicContact CD1-CG1 4.09Å; I143-V195 HydrophobicContact CG1-CG1 3.6Å; I143-T199 HydrophobicContact CD1-CG2 4.46Å
144L90.6Very high88.9Confident82 Ų8260.4 Ų60.443%0.42930%0.297SS..Hα-helixtrans-61.8-42179.3-70.5173.2000111.9L140 Y141 V142 L146 M147 Q148L140-L144 HydrophobicContact CD1-CD1 4.22Å; L140-L144 HydrophobicContact CD1-CG 4.15Å; L140-L144 HydrophobicContact CG-CD1 4.03Å; L140-L144 HydrophobicContact CG-CG 4.39Å; L140-L144 WeakPolarHBondContact O-CB 3.32Å; L140-L144 VanDerWaalsContact O-CG 3.25Å; L140-L144 WeakPolarHBondContact O-CG 3.24Å; L140-L144 PolarHBondContact O-N 3.43Å; Y141-L144 PolarHBondContact O-N 3.32Å; V142-L144 VanDerWaalsContact C-N 3.34Å; V142-L144 PolarHBondContact O-N 3.14Å; L144-L146 VanDerWaalsContact C-N 3.34Å; L144-L146 PolarHBondContact O-N 3Å; L144-M147 PolarHBondContact O-N 3.16Å; L144-Q148 WeakPolarHBondContact O-CB 3.25Å; L144-Q148 VanDerWaalsContact O-CG 3.31Å; L144-Q148 WeakPolarHBondContact O-CG 3.44Å; L144-Q148 PolarHBondContact O-N 3.45Å
145Q90.7Very high87.9Confident62 Ų6267.4 Ų67.429%0.2932%0.32SS..Hα-helixtrans-62.3-40.9174.3-75.3-162.1-200112.5Y141 V142 I143 Q148 K149Y141-Q145 HydrophobicContact CE1-CG 4.41Å; Y141-Q145 VanDerWaalsContact CE1-NE2 3.28Å; Y141-Q145 PolarHBondContact O-N 3.05Å; Y141-Q145 PolarHBondContact OH-NE2 3.37Å; V142-Q145 PolarHBondContact O-N 3.31Å; I143-Q145 PolarHBondContact O-N 3.21Å; Q145-Q148 PolarHBondContact O-N 3.34Å; Q145-K149 WeakPolarHBondContact O-CG 3.26Å; Q145-K149 PolarHBondContact O-N 2.88Å
146L89.5Confident86.8Confident32 Ų3267.2 Ų67.217%0.16832%0.319CS..Hα-helixtrans-67.4-42.5177.9-70.8165.4000111.4V142 I143 L144 Q148 K149 K150 T188 E192 V195V142-L146 HydrophobicContact CG1-CD1 3.85Å; V142-L146 HydrophobicContact CG1-CG 4.39Å; V142-L146 VanDerWaalsContact O-CG 3.27Å; V142-L146 WeakPolarHBondContact O-CG 3.49Å; V142-L146 PolarHBondContact O-N 3.13Å; I143-L146 PolarHBondContact O-N 3.3Å; I143-L146 VanDerWaalsContact O-N 3.16Å; L144-L146 VanDerWaalsContact C-N 3.34Å; L144-L146 PolarHBondContact O-N 3Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; L146-Q148 PolarHBondContact O-N 2.94Å; L146-K149 PolarHBondContact O-N 3.38Å; L146-K150 WeakPolarHBondContact O-CB 3.37Å; L146-K150 WeakPolarHBondContact O-CG 3.39Å; L146-K150 PolarHBondContact O-N 2.99Å; L146-T188 HydrophobicContact CB-CG2 3.59Å; L146-T188 HydrophobicContact CD1-CG2 4.23Å; L146-E192 HydrophobicContact CD1-CB 4.19Å; L146-E192 HydrophobicContact CD1-CG 3.84Å; L146-E192 HydrophobicContact CD2-CG 4.28Å; L146-V195 HydrophobicContact CD1-CG2 4.35Å
147M87.5Confident85.9Confident16 Ų1670.2 Ų70.28%0.07933%0.331CS..Hα-helixtrans-59.7-43.7174.1-71.6176.770.100111I143 L144 K149 K150 G151 L181 L184 L185 T188I143-M147 HydrophobicContact CG2-CG 4.16Å; I143-M147 HydrophobicContact CG2-SD 3.7Å; I143-M147 WeakPolarHBondContact O-CB 3.41Å; I143-M147 VanDerWaalsContact O-CG 3.25Å; I143-M147 WeakPolarHBondContact O-CG 3.19Å; I143-M147 PolarHBondContact O-N 2.87Å; L144-M147 PolarHBondContact O-N 3.16Å; M147-K149 VanDerWaalsContact C-N 3.34Å; M147-K149 PolarHBondContact O-N 3.39Å; M147-K150 PolarHBondContact O-N 3.31Å; M147-G151 PolarHBondContact O-N 3.37Å; M147-L181 HydrophobicContact CE-CD1 3.94Å; M147-L181 HydrophobicContact CE-CG 4.26Å; M147-L184 HydrophobicContact CB-CD1 4.44Å; M147-L184 HydrophobicContact CB-CD2 3.92Å; M147-L184 HydrophobicContact CB-CG 4.03Å; M147-L184 HydrophobicContact CE-CB 4.1Å; M147-L184 HydrophobicContact CE-CD2 3.75Å; M147-L184 HydrophobicContact CE-CG 3.71Å; M147-L184 HydrophobicContact CG-CD1 4.49Å; M147-L184 HydrophobicContact CG-CD2 4.32Å; M147-L184 HydrophobicContact CG-CG 3.95Å; M147-L185 HydrophobicContact CE-CB 4.16Å; M147-L185 HydrophobicContact SD-CB 4.28Å; M147-L185 HydrophobicContact SD-CD1 4.02Å; M147-T188 HydrophobicContact CG-CG2 4.16Å; M147-T188 WeakPolarHBondContact CG-OG1 3.36Å
148Q87.7Confident84.9Confident127 Ų12770.1 Ų70.159%0.59333%0.332SS*.Hα-helixtrans-65.3-33.8175.6-74.3177.2-0.600113.3L144 Q145 L146 R152L144-Q148 WeakPolarHBondContact O-CB 3.25Å; L144-Q148 VanDerWaalsContact O-CG 3.31Å; L144-Q148 WeakPolarHBondContact O-CG 3.44Å; L144-Q148 PolarHBondContact O-N 3.45Å; Q145-Q148 PolarHBondContact O-N 3.34Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; L146-Q148 PolarHBondContact O-N 2.94Å; Q148-R152 WeakPolarHBondContact O-CG 3.43Å; Q148-R152 PolarHBondContact O-NE 3.12Å
149K86.9Confident84Confident122 Ų12276.4 Ų76.453%0.5336%0.356SS..Hα-helixtrans-69.1-45.5174.2-74.4172.8-177.5175.50110.8Q145 L146 M147 R152Q145-K149 WeakPolarHBondContact O-CG 3.26Å; Q145-K149 PolarHBondContact O-N 2.88Å; L146-K149 PolarHBondContact O-N 3.38Å; M147-K149 VanDerWaalsContact C-N 3.34Å; M147-K149 PolarHBondContact O-N 3.39Å; K149-R152 PolarHBondContact O-N 3.3Å
150K84.8Confident83Confident41 Ų4178.3 Ų78.318%0.17837%0.365CS..Hα-helixtrans-68.3-40178.4-75.5-177.5168.9-151.60113.5L146 M147 R152 D153 F156 L184 E187 T188 S191L146-K150 WeakPolarHBondContact O-CB 3.37Å; L146-K150 WeakPolarHBondContact O-CG 3.39Å; L146-K150 PolarHBondContact O-N 2.99Å; M147-K150 PolarHBondContact O-N 3.31Å; K150-R152 PolarHBondContact O-N 2.85Å; K150-D153 WeakPolarHBondContact O-CB 3.32Å; K150-D153 PolarHBondContact O-N 2.88Å; K150-F156 HydrophobicContact CB-CG 4.45Å; K150-F156 WeakPolarHBondContact O-CB 3.25Å; K150-L184 HydrophobicContact CB-CD1 3.92Å; K150-L184 HydrophobicContact CD-CD1 4.5Å; K150-E187 PolarHBondContact NZ-O 3.33Å; K150-T188 WeakPolarHBondContact CD-OG1 3.23Å; K150-S191 WeakPolarHBondContact CE-OG 3.48Å; K150-S191 PolarHBondContact NZ-OG 2.92Å
151G79.8Confident81.9Confident25 Ų2578 Ų7826%0.25837%0.365SS..Hα-helixtrans-63.5-19.6176.100000113.5M147 K157M147-G151 PolarHBondContact O-N 3.37Å; G151-K157 WeakPolarHBondContact O-CE 3.22Å
152R80.4Confident81.1Confident174 Ų17480.7 Ų80.766%0.65738%0.379SS*.THydrogen-bonded Turntrans-86.9-12171.8-73.1-178.4-74.6-176.2-3113.6Q148 K149 K150Q148-R152 WeakPolarHBondContact O-CG 3.43Å; Q148-R152 PolarHBondContact O-NE 3.12Å; K149-R152 PolarHBondContact O-N 3.3Å; K150-R152 PolarHBondContact O-N 2.85Å
153D83.1Confident80.2Confident69 Ų6983 Ų8337%0.36939%0.388SS..  trans-79.4119.9176-171.6-12000110.2K150 R155 F156 K157K150-D153 WeakPolarHBondContact O-CB 3.32Å; K150-D153 PolarHBondContact O-N 2.88Å; D153-R155 PolarHBondContact O-N 3.34Å; D153-R155 PolarHBondContact OD1-N 3.38Å; D153-F156 HydrophobicContact CB-CB 4.23Å; D153-F156 PolarHBondContact O-N 3.48Å; D153-K157 PolarHBondContact O-N 2.9Å; D153-K157 VanDerWaalsContact O-N 3.08Å
154N73.4Confident79Confident125 Ų12585.3 Ų85.367%0.66840%0.4SS*.Hα-helixtrans-60.6-30179.7-71.4-17.2000112.6F156 S158N154-F156 VanDerWaalsContact C-N 3.33Å; N154-S158 PolarHBondContact O-N 3.33Å; N154-S158 VanDerWaalsContact O-N 3.12Å
155R73.4Confident77.9Confident197 Ų19785.8 Ų85.874%0.74341%0.41SS*.Hα-helixtrans-66.6-36.8174.6-80.8-173.9-77.2-129-2.3112.1D153 R159D153-R155 PolarHBondContact O-N 3.34Å; D153-R155 PolarHBondContact OD1-N 3.38Å; R155-R159 PolarHBondContact O-N 3.42Å
156F72.4Confident76.8Confident15 Ų1589 Ų897%0.06643%0.43CS..Hα-helixtrans-73-42.7178.9-175.2-91.6000111.3K150 D153 N154 S158 R159 M160 F183 L184 E187K150-F156 HydrophobicContact CB-CG 4.45Å; K150-F156 WeakPolarHBondContact O-CB 3.25Å; D153-F156 HydrophobicContact CB-CB 4.23Å; D153-F156 PolarHBondContact O-N 3.48Å; N154-F156 VanDerWaalsContact C-N 3.33Å; F156-S158 PolarHBondContact O-N 2.97Å; F156-R159 PolarHBondContact O-N 3.16Å; F156-M160 HydrophobicContact CE1-CB 4.25Å; F156-M160 HydrophobicContact CE1-SD 4.1Å; F156-M160 WeakPolarHBondContact O-CB 3.35Å; F156-M160 PolarHBondContact O-N 2.85Å; F156-F183 HydrophobicContact CE2-CD1 4.47Å; F156-F183 AromaticContact CE2-CE1 3.98Å; F156-F183 HydrophobicContact CE2-CE1 3.98Å; F156-F183 AromaticContact CZ-CD1 3.89Å; F156-F183 HydrophobicContact CZ-CD1 3.89Å; F156-F183 AromaticContact CZ-CE1 3.81Å; F156-F183 HydrophobicContact CZ-CE1 3.81Å; F156-L184 HydrophobicContact CD1-CD1 4Å; F156-L184 HydrophobicContact CE1-CB 4.13Å; F156-L184 HydrophobicContact CE1-CD1 3.29Å; F156-L184 HydrophobicContact CE1-CG 4.17Å; F156-L184 HydrophobicContact CE2-CD1 4.18Å; F156-L184 HydrophobicContact CZ-CB 4Å; F156-L184 HydrophobicContact CZ-CD1 3.4Å; F156-L184 VanDerWaalsContact CZ-CD1 3.4Å; F156-L184 HydrophobicContact CZ-CG 4.27Å; F156-E187 HydrophobicContact CE2-CB 4.03Å; F156-E187 HydrophobicContact CE2-CG 3.81Å
157K74.8Confident75.3Confident99 Ų9990.1 Ų90.143%0.4344%0.439SS..Hα-helixtrans-54.9-41.5172.4-72.4-172.8179.3-176.70112.2G151 D153 M160 N161G151-K157 WeakPolarHBondContact O-CE 3.22Å; D153-K157 PolarHBondContact O-N 2.9Å; D153-K157 VanDerWaalsContact O-N 3.08Å; K157-M160 PolarHBondContact O-N 3.02Å; K157-N161 WeakPolarHBondContact O-CB 3.46Å; K157-N161 VanDerWaalsContact O-CG 3.25Å; K157-N161 PolarHBondContact O-N 3.47Å
158S72.9Confident73.8Confident63 Ų6394.3 Ų94.344%0.44147%0.468SS..Hα-helixtrans-63.4-45.9177.1-171.50000112.6N154 F156 M160 N161 Q162N154-S158 PolarHBondContact O-N 3.33Å; N154-S158 VanDerWaalsContact O-N 3.12Å; F156-S158 PolarHBondContact O-N 2.97Å; S158-M160 PolarHBondContact O-N 3.5Å; S158-N161 PolarHBondContact O-N 3.08Å; S158-Q162 WeakPolarHBondContact O-CG 3.48Å; S158-Q162 PolarHBondContact O-N 3.01Å
159R74.9Confident72.1Confident153 Ų15397.5 Ų97.558%0.57748%0.483SS*.Hα-helixtrans-63.7-39.7175.3-75.5-172.6177.1-173.5-1113.3R155 F156 Q162 H163R155-R159 PolarHBondContact O-N 3.42Å; F156-R159 PolarHBondContact O-N 3.16Å; R159-Q162 PolarHBondContact O-N 3.28Å; R159-H163 WeakPolarHBondContact O-CB 3.3Å; R159-H163 PolarHBondContact O-N 2.89Å
160M71.8Confident70.6Confident41 Ų4196.2 Ų96.220%0.20249%0.485CS..Hα-helixtrans-63.9-43176.9-174.3178.172.300111F156 K157 S158 H163 L164 A180 F183F156-M160 HydrophobicContact CE1-CB 4.25Å; F156-M160 HydrophobicContact CE1-SD 4.1Å; F156-M160 WeakPolarHBondContact O-CB 3.35Å; F156-M160 PolarHBondContact O-N 2.85Å; K157-M160 PolarHBondContact O-N 3.02Å; S158-M160 PolarHBondContact O-N 3.5Å; M160-H163 PolarHBondContact O-N 2.9Å; M160-L164 HydrophobicContact CG-CD1 4.11Å; M160-L164 WeakPolarHBondContact O-CB 3.26Å; M160-L164 WeakPolarHBondContact O-CG 3.09Å; M160-L164 PolarHBondContact O-N 3.19Å; M160-A180 HydrophobicContact CG-CB 4.34Å; M160-A180 HydrophobicContact SD-CB 3.9Å; M160-F183 HydrophobicContact CB-CE1 4.49Å; M160-F183 HydrophobicContact CG-CD1 4.41Å
161N70.9Confident69Low93 Ų9398.4 Ų98.450%0.49751%0.51SS..Hα-helixtrans-65.9-36.7175.8-72.4-6.4000112.6K157 S158 S165K157-N161 WeakPolarHBondContact O-CB 3.46Å; K157-N161 VanDerWaalsContact O-CG 3.25Å; K157-N161 PolarHBondContact O-N 3.47Å; S158-N161 PolarHBondContact O-N 3.08Å; N161-S165 WeakPolarHBondContact O-CB 3.45Å; N161-S165 PolarHBondContact O-N 2.9Å; N161-S165 VanDerWaalsContact O-N 3.11Å; N161-S165 PolarHBondContact O-OG 3.13Å
162Q75Confident67.6Low118 Ų118104.9 Ų104.955%0.55153%0.534SS*.Hα-helixtrans-62.1-48171.8-76.1175.5-17.200111.2S158 R159 L164 S165 D166S158-Q162 WeakPolarHBondContact O-CG 3.48Å; S158-Q162 PolarHBondContact O-N 3.01Å; R159-Q162 PolarHBondContact O-N 3.28Å; Q162-L164 PolarHBondContact O-N 3.25Å; Q162-S165 WeakPolarHBondContact O-CB 3.47Å; Q162-S165 PolarHBondContact O-N 3.38Å; Q162-D166 PolarHBondContact O-N 3.24Å
163H71.3Confident66.2Low79 Ų79101.5 Ų101.537%0.36654%0.543SS..Hα-helixtrans-65.2-36.2-179.6-157.1-66.5000113.2R159 M160 S165 F183R159-H163 WeakPolarHBondContact O-CB 3.3Å; R159-H163 PolarHBondContact O-N 2.89Å; M160-H163 PolarHBondContact O-N 2.9Å; H163-S165 VanDerWaalsContact C-N 3.28Å; H163-S165 PolarHBondContact O-N 3.45Å; H163-F183 HydrophobicContact CB-CE2 4.32Å; H163-F183 HydrophobicContact CB-CZ 4.38Å; H163-F183 AromaticContact CD2-CD2 3.77Å; H163-F183 AromaticContact CD2-CE2 3.26Å; H163-F183 WeakPolarHBondContact CD2-CE2 3.49Å; H163-F183 AromaticContact CD2-CZ 3.96Å; H163-F183 AromaticContact CG-CD2 3.99Å; H163-F183 AromaticContact CG-CE2 3.79Å; H163-F183 AromaticContact NE2-CD2 3.89Å; H163-F183 AromaticContact NE2-CE2 3.68Å
164L67.7Low64.9Low59 Ų59104.6 Ų104.631%0.30956%0.564SS.*Hα-helixtrans-67.9-27.1172.6-76.3162000112.4M160 Q162 P176 A180M160-L164 HydrophobicContact CG-CD1 4.11Å; M160-L164 WeakPolarHBondContact O-CB 3.26Å; M160-L164 WeakPolarHBondContact O-CG 3.09Å; M160-L164 PolarHBondContact O-N 3.19Å; Q162-L164 PolarHBondContact O-N 3.25Å; L164-P176 HydrophobicContact CD2-CB 4.43Å; L164-A180 HydrophobicContact CD1-CB 4.5Å
165S66.8Low64.3Low91 Ų91102 Ų10264%0.63655%0.549SS*.Hα-helixtrans-82.4-29.2178.7-57.30000112.8N161 Q162 H163N161-S165 WeakPolarHBondContact O-CB 3.45Å; N161-S165 PolarHBondContact O-N 2.9Å; N161-S165 VanDerWaalsContact O-N 3.11Å; N161-S165 PolarHBondContact O-OG 3.13Å; Q162-S165 WeakPolarHBondContact O-CB 3.47Å; Q162-S165 PolarHBondContact O-N 3.38Å; H163-S165 VanDerWaalsContact C-N 3.28Å; H163-S165 PolarHBondContact O-N 3.45Å
166D68Low64Low131 Ų13196 Ų9670%0.70154%0.536SS*.Hα-helixtrans-80.2-12.2-178.5-74.5-18.9000113.9Q162 P168Q162-D166 PolarHBondContact O-N 3.24Å; D166-P168 WeakPolarHBondContact O-CD 3.31Å
167C58.4Low64Low55 Ų55103.3 Ų103.337%0.37257%0.57SS.*  trans-114.468.8-179.3-73.20000113.3E169C167-E169 VanDerWaalsContact C-N 3.34Å; C167-E169 PolarHBondContact O-N 3.41Å
168P54.9Low64.1Low104 Ų104102.9 Ų102.968%0.67557%0.572SS**G310 helixtrans-72.4-17.5-177.727.2-33.1000115D166D166-P168 WeakPolarHBondContact O-CD 3.31Å
169E53.3Low64.4Low194 Ų194102.3 Ų102.391%0.90756%0.564SS**G310 helixtrans-82.7-12.4-174.4-77.6-174.8156.300115.4C167C167-E169 VanDerWaalsContact C-N 3.34Å; C167-E169 PolarHBondContact O-N 3.41Å
170V55.2Low64.5Low95 Ų9595.9 Ų95.958%0.57654%0.544SS*.G310 helixtrans-990.4-174.8-167.50000112.5E172V170-E172 PolarHBondContact O-N 3.01Å
171A50.4Low65.1Low86 Ų8698.3 Ų98.371%0.71156%0.557SS**  trans-86.171-170.600000113.4
172E50.2Low65.7Low162 Ų16297.5 Ų97.576%0.75755%0.552SS**  trans-87.1136148.9-103-175.1162.800109.4V170 V174 I175V170-E172 PolarHBondContact O-N 3.01Å; E172-V174 PolarHBondContact O-N 3.45Å; E172-I175 PolarHBondContact O-N 3.2Å
173A52.3Low66.1Low103 Ų10393.8 Ų93.885%0.85153%0.534SS*.THydrogen-bonded Turntrans-64.318.1-150.700000118.8
174V54.1Low66.8Low133 Ų13391 Ų9181%0.80652%0.522SS*.THydrogen-bonded Turntrans-117.9-12.1176.9-179.20000112.3E172 P176E172-V174 PolarHBondContact O-N 3.45Å; V174-P176 VanDerWaalsContact C-CD 3.46Å
175I62.2Low67.7Low71 Ų7191.1 Ų91.136%0.36452%0.523SS..  trans-100.7-4.4-167.4-47.8174.6000116.5E172 E177 L178 D179E172-I175 PolarHBondContact O-N 3.2Å; I175-E177 PolarHBondContact O-N 2.99Å; I175-L178 HydrophobicContact CG2-CB 4.47Å; I175-L178 PolarHBondContact O-N 3.18Å; I175-D179 HydrophobicContact CG2-CB 4.47Å; I175-D179 VanDerWaalsContact O-CB 3.3Å; I175-D179 WeakPolarHBondContact O-CB 3.26Å; I175-D179 PolarHBondContact O-N 3.45Å
176P66.6Low68.6Low71 Ų7191.9 Ų91.946%0.46152%0.519SS..Hα-helixtrans-68.8-35.2-178.625.3-30.5000112.9L164 V174 A180L164-P176 HydrophobicContact CD2-CB 4.43Å; V174-P176 VanDerWaalsContact C-CD 3.46Å; P176-A180 VanDerWaalsContact O-CB 3.24Å; P176-A180 WeakPolarHBondContact O-CB 3.21Å; P176-A180 PolarHBondContact O-N 3.07Å
177E71.6Confident69.4Low168 Ų16888 Ų8879%0.78550%0.496SS*.Hα-helixtrans-72.3-36.8176.8-64-161.4166.400112.5I175 L181I175-E177 PolarHBondContact O-N 2.99Å; E177-L181 WeakPolarHBondContact O-CB 3.49Å; E177-L181 PolarHBondContact O-N 2.93Å
178L78.1Confident70.7Confident91 Ų9185.4 Ų85.448%0.47648%0.479SS..Hα-helixtrans-70.7-40.6177.4-17662.5000111.2I175 L181 I182I175-L178 HydrophobicContact CG2-CB 4.47Å; I175-L178 PolarHBondContact O-N 3.18Å; L178-L181 HydrophobicContact CD1-CD2 4.19Å; L178-L181 WeakPolarHBondContact O-CB 3.35Å; L178-L181 PolarHBondContact O-N 3.33Å; L178-I182 HydrophobicContact CD1-CD1 4.34Å; L178-I182 HydrophobicContact CD1-CG1 4.49Å; L178-I182 HydrophobicContact CG-CD1 3.99Å; L178-I182 WeakPolarHBondContact O-CB 3.43Å; L178-I182 VanDerWaalsContact O-CG1 3.27Å; L178-I182 WeakPolarHBondContact O-CG1 3.49Å; L178-I182 PolarHBondContact O-N 2.92Å
179D78.4Confident72.3Confident51 Ų5182.7 Ų82.727%0.27346%0.458SS..Hα-helixtrans-64.3-44175-169.539000111I175 L181 I182 F183I175-D179 HydrophobicContact CG2-CB 4.47Å; I175-D179 VanDerWaalsContact O-CB 3.3Å; I175-D179 WeakPolarHBondContact O-CB 3.26Å; I175-D179 PolarHBondContact O-N 3.45Å; D179-L181 VanDerWaalsContact C-N 3.31Å; D179-L181 PolarHBondContact O-N 2.99Å; D179-I182 PolarHBondContact O-N 3.45Å; D179-F183 VanDerWaalsContact O-CB 3.3Å; D179-F183 WeakPolarHBondContact O-CB 3.45Å; D179-F183 PolarHBondContact O-N 3.28Å
180A77.7Confident73.9Confident17 Ų1783.1 Ų83.114%0.1445%0.452CS..Hα-helixtrans-58.7-41.1172.400000112.5M160 L164 P176 L184M160-A180 HydrophobicContact CG-CB 4.34Å; M160-A180 HydrophobicContact SD-CB 3.9Å; L164-A180 HydrophobicContact CD1-CB 4.5Å; P176-A180 VanDerWaalsContact O-CB 3.24Å; P176-A180 WeakPolarHBondContact O-CB 3.21Å; P176-A180 PolarHBondContact O-N 3.07Å; A180-L184 WeakPolarHBondContact O-CB 3.25Å; A180-L184 PolarHBondContact O-N 3.24Å
181L83.3Confident75.3Confident93 Ų9381 Ų8149%0.48744%0.441SS..Hα-helixtrans-64.2-47175.8-17492.4000111.5M147 E177 L178 D179 L184 L185M147-L181 HydrophobicContact CE-CD1 3.94Å; M147-L181 HydrophobicContact CE-CG 4.26Å; E177-L181 WeakPolarHBondContact O-CB 3.49Å; E177-L181 PolarHBondContact O-N 2.93Å; L178-L181 HydrophobicContact CD1-CD2 4.19Å; L178-L181 WeakPolarHBondContact O-CB 3.35Å; L178-L181 PolarHBondContact O-N 3.33Å; D179-L181 VanDerWaalsContact C-N 3.31Å; D179-L181 PolarHBondContact O-N 2.99Å; L181-L184 PolarHBondContact O-N 3.45Å; L181-L185 VanDerWaalsContact O-CB 3.3Å; L181-L185 WeakPolarHBondContact O-CB 3.4Å; L181-L185 PolarHBondContact O-N 3.19Å
182I84.4Confident77.1Confident75 Ų7580.3 Ų80.339%0.38542%0.423SS..Hα-helixtrans-63.9-46179.6-70.1167.5000110L178 D179 L184 L185 L186L178-I182 HydrophobicContact CD1-CD1 4.34Å; L178-I182 HydrophobicContact CD1-CG1 4.49Å; L178-I182 HydrophobicContact CG-CD1 3.99Å; L178-I182 WeakPolarHBondContact O-CB 3.43Å; L178-I182 VanDerWaalsContact O-CG1 3.27Å; L178-I182 WeakPolarHBondContact O-CG1 3.49Å; L178-I182 PolarHBondContact O-N 2.92Å; D179-I182 PolarHBondContact O-N 3.45Å; I182-L184 PolarHBondContact O-N 3.47Å; I182-L185 WeakPolarHBondContact O-CB 3.22Å; I182-L185 PolarHBondContact O-N 3.08Å; I182-L186 HydrophobicContact CG2-CD1 3.91Å; I182-L186 HydrophobicContact CG2-CG 4.34Å; I182-L186 WeakPolarHBondContact O-CB 3.22Å; I182-L186 VanDerWaalsContact O-CG 3.31Å; I182-L186 WeakPolarHBondContact O-CG 3.5Å; I182-L186 PolarHBondContact O-N 3.02Å
183F83.8Confident78.9Confident40 Ų4075.3 Ų75.318%0.17540%0.404CS..Hα-helixtrans-58.9-47.6175.6180-99.3000111.4F156 M160 H163 D179 L185 L186 E187F156-F183 HydrophobicContact CE2-CD1 4.47Å; F156-F183 AromaticContact CE2-CE1 3.98Å; F156-F183 HydrophobicContact CE2-CE1 3.98Å; F156-F183 AromaticContact CZ-CD1 3.89Å; F156-F183 HydrophobicContact CZ-CD1 3.89Å; F156-F183 AromaticContact CZ-CE1 3.81Å; F156-F183 HydrophobicContact CZ-CE1 3.81Å; M160-F183 HydrophobicContact CB-CE1 4.49Å; M160-F183 HydrophobicContact CG-CD1 4.41Å; H163-F183 HydrophobicContact CB-CE2 4.32Å; H163-F183 HydrophobicContact CB-CZ 4.38Å; H163-F183 AromaticContact CD2-CD2 3.77Å; H163-F183 AromaticContact CD2-CE2 3.26Å; H163-F183 WeakPolarHBondContact CD2-CE2 3.49Å; H163-F183 AromaticContact CD2-CZ 3.96Å; H163-F183 AromaticContact CG-CD2 3.99Å; H163-F183 AromaticContact CG-CE2 3.79Å; H163-F183 AromaticContact NE2-CD2 3.89Å; H163-F183 AromaticContact NE2-CE2 3.68Å; D179-F183 VanDerWaalsContact O-CB 3.3Å; D179-F183 WeakPolarHBondContact O-CB 3.45Å; D179-F183 PolarHBondContact O-N 3.28Å; F183-L185 VanDerWaalsContact C-N 3.33Å; F183-L185 PolarHBondContact O-N 3.32Å; F183-L186 PolarHBondContact O-N 3.31Å; F183-E187 WeakPolarHBondContact O-CB 3.15Å; F183-E187 PolarHBondContact O-N 2.78Å
184L84.5Confident80.6Confident22 Ų2271.7 Ų71.712%0.11537%0.372CS..Hα-helixtrans-62.5-39.7177.4175.661.1000112M147 K150 F156 A180 L181 I182 T188M147-L184 HydrophobicContact CB-CD1 4.44Å; M147-L184 HydrophobicContact CB-CD2 3.92Å; M147-L184 HydrophobicContact CB-CG 4.03Å; M147-L184 HydrophobicContact CE-CB 4.1Å; M147-L184 HydrophobicContact CE-CD2 3.75Å; M147-L184 HydrophobicContact CE-CG 3.71Å; M147-L184 HydrophobicContact CG-CD1 4.49Å; M147-L184 HydrophobicContact CG-CD2 4.32Å; M147-L184 HydrophobicContact CG-CG 3.95Å; K150-L184 HydrophobicContact CB-CD1 3.92Å; K150-L184 HydrophobicContact CD-CD1 4.5Å; F156-L184 HydrophobicContact CD1-CD1 4Å; F156-L184 HydrophobicContact CE1-CB 4.13Å; F156-L184 HydrophobicContact CE1-CD1 3.29Å; F156-L184 HydrophobicContact CE1-CG 4.17Å; F156-L184 HydrophobicContact CE2-CD1 4.18Å; F156-L184 HydrophobicContact CZ-CB 4Å; F156-L184 HydrophobicContact CZ-CD1 3.4Å; F156-L184 VanDerWaalsContact CZ-CD1 3.4Å; F156-L184 HydrophobicContact CZ-CG 4.27Å; A180-L184 WeakPolarHBondContact O-CB 3.25Å; A180-L184 PolarHBondContact O-N 3.24Å; L181-L184 PolarHBondContact O-N 3.45Å; I182-L184 PolarHBondContact O-N 3.47Å; L184-T188 VanDerWaalsContact O-CB 3.23Å; L184-T188 WeakPolarHBondContact O-CB 3.26Å; L184-T188 PolarHBondContact O-N 2.81Å; L184-T188 PolarHBondContact O-OG1 2.99Å
185L87Confident82.3Confident61 Ų6165.7 Ų65.732%0.31934%0.335SS..Hα-helixtrans-62.9-50.8175.3176.663.9000110.9I143 M147 L181 I182 F183 E187 T188 L189I143-L185 HydrophobicContact CG2-CD1 3.49Å; I143-L185 VanDerWaalsContact CG2-CD1 3.49Å; M147-L185 HydrophobicContact CE-CB 4.16Å; M147-L185 HydrophobicContact SD-CB 4.28Å; M147-L185 HydrophobicContact SD-CD1 4.02Å; L181-L185 VanDerWaalsContact O-CB 3.3Å; L181-L185 WeakPolarHBondContact O-CB 3.4Å; L181-L185 PolarHBondContact O-N 3.19Å; I182-L185 WeakPolarHBondContact O-CB 3.22Å; I182-L185 PolarHBondContact O-N 3.08Å; F183-L185 VanDerWaalsContact C-N 3.33Å; F183-L185 PolarHBondContact O-N 3.32Å; L185-E187 PolarHBondContact O-N 2.97Å; L185-T188 WeakPolarHBondContact O-CB 3.5Å; L185-T188 PolarHBondContact O-N 3.28Å; L185-L189 HydrophobicContact CD1-CD1 4.09Å; L185-L189 HydrophobicContact CD1-CG 4.29Å; L185-L189 HydrophobicContact CG-CD1 4.08Å; L185-L189 WeakPolarHBondContact O-CG 3.48Å; L185-L189 PolarHBondContact O-N 3.48Å
186L85.8Confident83.7Confident107 Ų10763.1 Ų63.156%0.5633%0.325SS*.Hα-helixtrans-62.1-44.8-179.1-71.8175.3000111.8I182 F183 T188 L189 R190I182-L186 HydrophobicContact CG2-CD1 3.91Å; I182-L186 HydrophobicContact CG2-CG 4.34Å; I182-L186 WeakPolarHBondContact O-CB 3.22Å; I182-L186 VanDerWaalsContact O-CG 3.31Å; I182-L186 WeakPolarHBondContact O-CG 3.5Å; I182-L186 PolarHBondContact O-N 3.02Å; F183-L186 PolarHBondContact O-N 3.31Å; L186-T188 VanDerWaalsContact C-N 3.31Å; L186-T188 PolarHBondContact O-N 2.85Å; L186-L189 PolarHBondContact O-N 3.29Å; L186-R190 VanDerWaalsContact O-CB 3.28Å; L186-R190 WeakPolarHBondContact O-CB 3.12Å; L186-R190 PolarHBondContact O-N 2.98Å
187E85.5Confident84.9Confident49 Ų4961.6 Ų61.623%0.22931%0.312CS..Hα-helixtrans-67.9-33.4177.5-173.765.9-17700111.7K150 F156 F183 L185 R190 S191K150-E187 PolarHBondContact NZ-O 3.33Å; F156-E187 HydrophobicContact CE2-CB 4.03Å; F156-E187 HydrophobicContact CE2-CG 3.81Å; F183-E187 WeakPolarHBondContact O-CB 3.15Å; F183-E187 PolarHBondContact O-N 2.78Å; L185-E187 PolarHBondContact O-N 2.97Å; E187-R190 PolarHBondContact O-N 2.9Å; E187-S191 WeakPolarHBondContact O-CB 3.45Å; E187-S191 PolarHBondContact O-N 3.31Å; E187-S191 PolarHBondContact O-OG 3.42Å
188T85.9Confident85.9Confident1 Ų154.8 Ų54.81%0.00628%0.281CS..Hα-helixtrans-63.8-48.6172.6-59.70000111.5L146 M147 K150 L184 L185 L186 R190 S191 E192L146-T188 HydrophobicContact CB-CG2 3.59Å; L146-T188 HydrophobicContact CD1-CG2 4.23Å; M147-T188 HydrophobicContact CG-CG2 4.16Å; M147-T188 WeakPolarHBondContact CG-OG1 3.36Å; K150-T188 WeakPolarHBondContact CD-OG1 3.23Å; L184-T188 VanDerWaalsContact O-CB 3.23Å; L184-T188 WeakPolarHBondContact O-CB 3.26Å; L184-T188 PolarHBondContact O-N 2.81Å; L184-T188 PolarHBondContact O-OG1 2.99Å; L185-T188 WeakPolarHBondContact O-CB 3.5Å; L185-T188 PolarHBondContact O-N 3.28Å; L186-T188 VanDerWaalsContact C-N 3.31Å; L186-T188 PolarHBondContact O-N 2.85Å; T188-R190 VanDerWaalsContact C-N 3.28Å; T188-R190 PolarHBondContact O-N 3.33Å; T188-S191 PolarHBondContact O-N 2.91Å; T188-S191 PolarHBondContact O-OG 3.41Å; T188-S191 VanDerWaalsContact O-OG 3.09Å; T188-E192 WeakPolarHBondContact O-CB 3.34Å; T188-E192 PolarHBondContact O-N 3.3Å
189L87.7Confident86.7Confident46 Ų4651.4 Ų51.424%0.24127%0.265CS..Hα-helixtrans-63.6-36176.5-68.1172000111.9I143 L185 L186 E192 A196I143-L189 HydrophobicContact CD1-CD2 3.82Å; I143-L189 HydrophobicContact CG1-CD2 4.22Å; L185-L189 HydrophobicContact CD1-CD1 4.09Å; L185-L189 HydrophobicContact CD1-CG 4.29Å; L185-L189 HydrophobicContact CG-CD1 4.08Å; L185-L189 WeakPolarHBondContact O-CG 3.48Å; L185-L189 PolarHBondContact O-N 3.48Å; L186-L189 PolarHBondContact O-N 3.29Å; L189-E192 CarbonylContact O-C 3.55Å; L189-A196 HydrophobicContact CB-CB 3.97Å; L189-A196 HydrophobicContact CD2-CB 3.79Å; L189-A196 HydrophobicContact CG-CB 4.49Å; L189-A196 WeakPolarHBondContact O-CB 3.44Å
190R86.9Confident87.4Confident204 Ų20452.2 Ų52.277%0.7727%0.272SS*.Hα-helixtrans-67.1-41.8177.2-172.8178.4-177.51481.2112.4L186 E187 T188L186-R190 VanDerWaalsContact O-CB 3.28Å; L186-R190 WeakPolarHBondContact O-CB 3.12Å; L186-R190 PolarHBondContact O-N 2.98Å; E187-R190 PolarHBondContact O-N 2.9Å; T188-R190 VanDerWaalsContact C-N 3.28Å; T188-R190 PolarHBondContact O-N 3.33Å
191S85.7Confident88.3Confident49 Ų4952.7 Ų52.734%0.34327%0.27SS..Hα-helixtrans-78-27.1-179.869.70000113.4K150 E187 T188 P193K150-S191 WeakPolarHBondContact CE-OG 3.48Å; K150-S191 PolarHBondContact NZ-OG 2.92Å; E187-S191 WeakPolarHBondContact O-CB 3.45Å; E187-S191 PolarHBondContact O-N 3.31Å; E187-S191 PolarHBondContact O-OG 3.42Å; T188-S191 PolarHBondContact O-N 2.91Å; T188-S191 PolarHBondContact O-OG 3.41Å; T188-S191 VanDerWaalsContact O-OG 3.09Å; S191-P193 VanDerWaalsContact C-CD 3.41Å; S191-P193 WeakPolarHBondContact O-CD 3.42Å
192E87.8Confident88.8Confident73 Ų7348.5 Ų48.534%0.34125%0.249SC..  trans-114.574.1-176.5-65.8-63.8159.700110.7L146 T188 L189 T194 V195 A196L146-E192 HydrophobicContact CD1-CB 4.19Å; L146-E192 HydrophobicContact CD1-CG 3.84Å; L146-E192 HydrophobicContact CD2-CG 4.28Å; T188-E192 WeakPolarHBondContact O-CB 3.34Å; T188-E192 PolarHBondContact O-N 3.3Å; L189-E192 CarbonylContact O-C 3.55Å; E192-T194 PolarHBondContact O-N 3.33Å; E192-T194 VanDerWaalsContact O-N 3.11Å; E192-V195 PolarHBondContact O-N 3.45Å; E192-A196 PolarHBondContact O-N 3.45Å
193P86.9Confident89.4Confident56 Ų5648.9 Ų48.936%0.36425%0.25SS..Hα-helixtrans-63.8-22.4-173.726.3-35.9000112.8S191 L197 L243S191-P193 VanDerWaalsContact C-CD 3.41Å; S191-P193 WeakPolarHBondContact O-CD 3.42Å; P193-L197 VanDerWaalsContact O-CB 3.25Å; P193-L197 WeakPolarHBondContact O-CB 3.39Å; P193-L197 WeakPolarHBondContact O-CD1 3.4Å; P193-L197 WeakPolarHBondContact O-CG 3.48Å; P193-L197 PolarHBondContact O-N 3.37Å; P193-L243 HydrophobicContact CB-CD2 4.33Å; P193-L243 HydrophobicContact CG-CD2 4.15Å
194T89Confident89.9Confident27 Ų2747.7 Ų47.717%0.16625%0.247CC..Hα-helixtrans-63.3-53.617860.80000110.9E192 D198 I245E192-T194 PolarHBondContact O-N 3.33Å; E192-T194 VanDerWaalsContact O-N 3.11Å; T194-D198 PolarHBondContact O-N 2.98Å; T194-I245 WeakPolarHBondContact O-CD1 3.48Å; T194-I245 WeakPolarHBondContact O-CG1 3.33Å
195V89.3Confident90.5Very high7 Ų746.9 Ų46.94%0.04224%0.243CC..Hα-helixtrans-68.3-40.9-179.6-172.90000110.9V142 I143 L146 E192 D198 T199 I245V142-V195 HydrophobicContact CG1-CG1 4.27Å; V142-V195 HydrophobicContact CG1-CG2 3.74Å; I143-V195 HydrophobicContact CD1-CG1 4.09Å; I143-V195 HydrophobicContact CG1-CG1 3.6Å; L146-V195 HydrophobicContact CD1-CG2 4.35Å; E192-V195 PolarHBondContact O-N 3.45Å; V195-D198 PolarHBondContact O-N 3.18Å; V195-T199 WeakPolarHBondContact O-CB 3.36Å; V195-T199 PolarHBondContact O-N 2.84Å; V195-T199 PolarHBondContact O-OG1 3.42Å; V195-I245 HydrophobicContact CB-CD1 4.37Å; V195-I245 HydrophobicContact CG2-CD1 4.22Å; V195-I245 HydrophobicContact CG2-CG1 4.27Å
196A91.4Very high90.9Very high17 Ų1746 Ų4614%0.1424%0.238CC..Hα-helixtrans-60.9-47.6176.500000112.5L189 E192 D198 T199 V200L189-A196 HydrophobicContact CB-CB 3.97Å; L189-A196 HydrophobicContact CD2-CB 3.79Å; L189-A196 HydrophobicContact CG-CB 4.49Å; L189-A196 WeakPolarHBondContact O-CB 3.44Å; E192-A196 PolarHBondContact O-N 3.45Å; A196-D198 PolarHBondContact O-N 3.43Å; A196-T199 PolarHBondContact O-N 3.03Å; A196-V200 WeakPolarHBondContact O-CB 3.32Å; A196-V200 VanDerWaalsContact O-CG2 3.31Å; A196-V200 WeakPolarHBondContact O-CG2 3.42Å; A196-V200 PolarHBondContact O-N 3.14Å
197L92.4Very high91.3Very high39 Ų3943.6 Ų43.620%0.20422%0.223CC..Hα-helixtrans-63.9-41.7179.4-73.7173.9000112.2P193 K201 I233 L236 T237 L243P193-L197 VanDerWaalsContact O-CB 3.25Å; P193-L197 WeakPolarHBondContact O-CB 3.39Å; P193-L197 WeakPolarHBondContact O-CD1 3.4Å; P193-L197 WeakPolarHBondContact O-CG 3.48Å; P193-L197 PolarHBondContact O-N 3.37Å; L197-K201 WeakPolarHBondContact O-CB 3.46Å; L197-K201 PolarHBondContact O-N 2.94Å; L197-I233 HydrophobicContact CB-CG2 3.9Å; L197-I233 HydrophobicContact CD2-CG1 4.27Å; L197-I233 HydrophobicContact CD2-CG2 4.11Å; L197-L236 HydrophobicContact CD1-CD2 4.44Å; L197-T237 HydrophobicContact CB-CG2 4.42Å; L197-T237 HydrophobicContact CD1-CG2 4.24Å; L197-L243 HydrophobicContact CD1-CB 4.38Å; L197-L243 HydrophobicContact CD1-CD1 4.34Å
198D92.4Very high91.6Very high25 Ų2542.5 Ų42.513%0.13422%0.219CC..Hα-helixtrans-68.3-40.1177.8-156.845.3000111.8R138 T194 V195 A196 K201 N202 I245R138-D198 IonicContact CZ-OD2 2.91Å; R138-D198 IonicContact NH1-OD2 3.14Å; R138-D198 PolarHBondContact NH1-OD2 3.35Å; R138-D198 IonicContact NH2-OD2 3.2Å; R138-D198 PolarHBondContact NH2-OD2 3.14Å; T194-D198 PolarHBondContact O-N 2.98Å; V195-D198 PolarHBondContact O-N 3.18Å; A196-D198 PolarHBondContact O-N 3.43Å; D198-K201 WeakPolarHBondContact O-CB 3.48Å; D198-K201 PolarHBondContact O-N 2.71Å; D198-K201 IonicContact OD1-NZ 3.28Å; D198-K201 PolarHBondContact OD1-NZ 2.91Å; D198-N202 WeakPolarHBondContact O-CB 3.48Å; D198-N202 PolarHBondContact O-N 3.48Å; D198-N202 PolarHBondContact O-ND2 3.47Å; D198-N202 VanDerWaalsContact O-ND2 3.09Å; D198-N202 PolarHBondContact OD2-ND2 3.17Å; D198-I245 HydrophobicContact CB-CD1 3.26Å; D198-I245 HydrophobicContact CB-CG1 4.36Å
199T93.9Very high92Very high20 Ų2042.6 Ų42.612%0.12322%0.219CC..Hα-helixtrans-59.2-53.1175.7-54.60000110.7D139 I143 V195 A196 K201 N202 I203D139-T199 WeakPolarHBondContact CB-OG1 3.46Å; I143-T199 HydrophobicContact CD1-CG2 4.46Å; V195-T199 WeakPolarHBondContact O-CB 3.36Å; V195-T199 PolarHBondContact O-N 2.84Å; V195-T199 PolarHBondContact O-OG1 3.42Å; A196-T199 PolarHBondContact O-N 3.03Å; T199-K201 VanDerWaalsContact C-N 3.29Å; T199-K201 PolarHBondContact O-N 2.96Å; T199-N202 PolarHBondContact O-N 3.05Å; T199-I203 HydrophobicContact CG2-CD1 3.82Å; T199-I203 HydrophobicContact CG2-CG1 4.43Å; T199-I203 VanDerWaalsContact O-CG1 3.3Å; T199-I203 WeakPolarHBondContact O-CG1 3.48Å; T199-I203 PolarHBondContact O-N 3.07Å
200V94.9Very high92.3Very high69 Ų6941.7 Ų41.742%0.41821%0.214SC..Hα-helixtrans-59.4-42.7178.1172.70000110.7A196 I203 C204 I233A196-V200 WeakPolarHBondContact O-CB 3.32Å; A196-V200 VanDerWaalsContact O-CG2 3.31Å; A196-V200 WeakPolarHBondContact O-CG2 3.42Å; A196-V200 PolarHBondContact O-N 3.14Å; V200-I203 PolarHBondContact O-N 2.86Å; V200-C204 WeakPolarHBondContact O-CB 3.35Å; V200-C204 PolarHBondContact O-N 2.99Å; V200-C204 PolarHBondContact O-SG 3.44Å; V200-I233 HydrophobicContact CB-CD1 4.21Å; V200-I233 HydrophobicContact CG1-CD1 3.7Å
201K94.9Very high92.6Very high26 Ų2634.9 Ų34.911%0.11319%0.194CC..Hα-helixtrans-60-47176.5-178174.9118.5-89.40111.8L197 D198 T199 C204 D205 I233L197-K201 WeakPolarHBondContact O-CB 3.46Å; L197-K201 PolarHBondContact O-N 2.94Å; D198-K201 WeakPolarHBondContact O-CB 3.48Å; D198-K201 PolarHBondContact O-N 2.71Å; D198-K201 IonicContact OD1-NZ 3.28Å; D198-K201 PolarHBondContact OD1-NZ 2.91Å; T199-K201 VanDerWaalsContact C-N 3.29Å; T199-K201 PolarHBondContact O-N 2.96Å; K201-C204 PolarHBondContact O-N 3.3Å; K201-D205 WeakPolarHBondContact O-CB 3.46Å; K201-D205 PolarHBondContact O-N 3.43Å; K201-I233 HydrophobicContact CB-CB 4.38Å; K201-I233 HydrophobicContact CB-CD1 4.37Å; K201-I233 HydrophobicContact CB-CG2 3.99Å; K201-I233 HydrophobicContact CD-CG2 4.24Å
202N95.5Very high92.8Very high6 Ų638.7 Ų38.73%0.03220%0.2CC..Hα-helixtrans-68.9-38.1-177.7-68.1-31000111.5L136 D139 D198 T199 D205 L206L136-N202 HydrophobicContact CD2-CB 3.54Å; L136-N202 HydrophobicContact CG-CB 3.88Å; D139-N202 PolarHBondContact OD2-ND2 3.33Å; D198-N202 WeakPolarHBondContact O-CB 3.48Å; D198-N202 PolarHBondContact O-N 3.48Å; D198-N202 PolarHBondContact O-ND2 3.47Å; D198-N202 VanDerWaalsContact O-ND2 3.09Å; D198-N202 PolarHBondContact OD2-ND2 3.17Å; T199-N202 PolarHBondContact O-N 3.05Å; N202-D205 PolarHBondContact O-N 2.89Å; N202-L206 PolarHBondContact O-N 2.95Å; N202-L206 VanDerWaalsContact O-N 3.13Å
203I95.7Very high93.1Very high82 Ų8237 Ų3742%0.42119%0.194SC..Hα-helixtrans-62.7-48.1172.7-67.9171.3000110.6L136 T199 V200 D205 L206L136-I203 HydrophobicContact CD2-CG1 3.74Å; T199-I203 HydrophobicContact CG2-CD1 3.82Å; T199-I203 HydrophobicContact CG2-CG1 4.43Å; T199-I203 VanDerWaalsContact O-CG1 3.3Å; T199-I203 WeakPolarHBondContact O-CG1 3.48Å; T199-I203 PolarHBondContact O-N 3.07Å; V200-I203 PolarHBondContact O-N 2.86Å; I203-D205 VanDerWaalsContact C-N 3.29Å; I203-D205 PolarHBondContact O-N 3.23Å; I203-L206 WeakPolarHBondContact O-CB 3.44Å; I203-L206 PolarHBondContact O-N 3.46Å; I203-L206 VanDerWaalsContact O-N 3.12Å
204C95.3Very high93.3Very high16 Ų1636.7 Ų36.711%0.10820%0.201CC..Hα-helixtrans-60.4-40.2177-69.20000112V200 K201 L206 C226V200-C204 WeakPolarHBondContact O-CB 3.35Å; V200-C204 PolarHBondContact O-N 2.99Å; V200-C204 PolarHBondContact O-SG 3.44Å; K201-C204 PolarHBondContact O-N 3.3Å; C204-L206 PolarHBondContact O-N 3.06Å; C204-C226 HydrophobicContact CB-CB 3.94Å; C204-C226 WeakPolarHBondContact CB-O 3.34Å; C204-C226 WeakPolarHBondContact O-CB 3.5Å
205D95.9Very high93.4Very high5 Ų540.6 Ų40.63%0.02722%0.219CC..Hα-helixtrans-69-19.5179-88.7-4.3000113R20 Y128 L132 K201 N202 I203 F207 I208 P209 S230R20-D205 IonicContact CZ-OD1 2.87Å; R20-D205 VanDerWaalsContact CZ-OD1 3.28Å; R20-D205 IonicContact CZ-OD2 2.64Å; R20-D205 IonicContact NH1-OD1 3.39Å; R20-D205 PolarHBondContact NH1-OD1 3.35Å; R20-D205 IonicContact NH1-OD2 2.77Å; R20-D205 PolarHBondContact NH1-OD2 2.99Å; R20-D205 VanDerWaalsContact NH2-CG 3.29Å; R20-D205 IonicContact NH2-OD1 3.55Å; R20-D205 PolarHBondContact NH2-OD1 2.99Å; R20-D205 IonicContact NH2-OD2 3.48Å; R20-D205 PolarHBondContact NH2-OD2 3.25Å; Y128-D205 WeakPolarHBondContact OH-CB 3.46Å; Y128-D205 VanDerWaalsContact OH-CG 3.27Å; Y128-D205 PolarHBondContact OH-OD2 3Å; L132-D205 HydrophobicContact CD1-CB 4.06Å; L132-D205 HydrophobicContact CD2-CB 3.82Å; K201-D205 WeakPolarHBondContact O-CB 3.46Å; K201-D205 PolarHBondContact O-N 3.43Å; N202-D205 PolarHBondContact O-N 2.89Å; I203-D205 VanDerWaalsContact C-N 3.29Å; I203-D205 PolarHBondContact O-N 3.23Å; D205-F207 VanDerWaalsContact C-N 3.32Å; D205-F207 PolarHBondContact O-N 3.03Å; D205-I208 PolarHBondContact O-N 3.17Å; D205-P209 WeakPolarHBondContact O-CD 3.45Å; D205-S230 WeakPolarHBondContact OD1-CB 3.27Å; D205-S230 PolarHBondContact OD1-OG 3.35Å
206L95.3Very high93.5Very high43 Ų4346.8 Ų46.823%0.22524%0.243CC..Hα-helixtrans-63.6-35-178.1-164.471.2000112.9L129 L132 L136 N202 I203 C204 I208 P209 L210L129-L206 HydrophobicContact CD1-CD1 3.54Å; L132-L206 HydrophobicContact CB-CD1 4.36Å; L136-L206 HydrophobicContact CD1-CD1 4.36Å; N202-L206 PolarHBondContact O-N 2.95Å; N202-L206 VanDerWaalsContact O-N 3.13Å; I203-L206 WeakPolarHBondContact O-CB 3.44Å; I203-L206 PolarHBondContact O-N 3.46Å; I203-L206 VanDerWaalsContact O-N 3.12Å; C204-L206 PolarHBondContact O-N 3.06Å; L206-I208 PolarHBondContact O-N 3.46Å; L206-P209 VanDerWaalsContact O-CD 3.24Å; L206-P209 WeakPolarHBondContact O-CD 3.49Å; L206-L210 HydrophobicContact CD2-CD1 3.93Å; L206-L210 HydrophobicContact CG-CD1 3.69Å; L206-L210 HydrophobicContact CG-CG 4.14Å; L206-L210 WeakPolarHBondContact O-CB 3.36Å; L206-L210 WeakPolarHBondContact O-CG 3.33Å; L206-L210 PolarHBondContact O-N 3.25Å
207F94.1Very high93.4Very high55 Ų5554.7 Ų54.724%0.24127%0.274CS..Hα-helixtrans-61.6-27179.7-67.7-78000113D205 D211 Y216 S218 V222 C226D205-F207 VanDerWaalsContact C-N 3.32Å; D205-F207 PolarHBondContact O-N 3.03Å; F207-D211 VanDerWaalsContact O-CB 3.24Å; F207-D211 WeakPolarHBondContact O-CB 3.29Å; F207-D211 PolarHBondContact O-N 2.81Å; F207-D211 VanDerWaalsContact O-N 3.07Å; F207-Y216 HydrophobicContact CD1-CD1 4.44Å; F207-Y216 HydrophobicContact CD1-CE1 4.39Å; F207-Y216 HydrophobicContact CE1-CE1 4.17Å; F207-S218 WeakPolarHBondContact CD1-OG 3.44Å; F207-V222 HydrophobicContact CD1-CG1 4.2Å; F207-V222 HydrophobicContact CE1-CG1 4.39Å; F207-V222 HydrophobicContact CG-CG1 4.36Å; F207-C226 HydrophobicContact CD2-CB 4.1Å
208I92.8Very high93.2Very high27 Ų2753.7 Ų53.714%0.13827%0.27CS..Hα-helixtrans-68.5-58-176.5-61158.5000112Y24 D205 L206 R212 V223Y24-I208 HydrophobicContact CE1-CD1 4.44Å; Y24-I208 HydrophobicContact CE2-CD1 4.45Å; Y24-I208 VanDerWaalsContact OH-CD1 3.24Å; Y24-I208 WeakPolarHBondContact OH-CD1 3.39Å; D205-I208 PolarHBondContact O-N 3.17Å; L206-I208 PolarHBondContact O-N 3.46Å; I208-R212 WeakPolarHBondContact O-CB 3.25Å; I208-R212 PolarHBondContact O-N 2.99Å; I208-V223 HydrophobicContact CG1-CG1 4.05Å
209P94.6Very high93.1Very high2 Ų254.8 Ų54.81%0.01328%0.28CS..Hα-helixtrans-71.2-29.5176.928.5-35000112.7S125 Y128 L129 L132 D205 L206 R212 L213S125-P209 WeakPolarHBondContact O-CB 3.32Å; Y128-P209 HydrophobicContact CD1-CB 4.14Å; Y128-P209 HydrophobicContact CD1-CG 3.94Å; Y128-P209 HydrophobicContact CE1-CG 4.32Å; L129-P209 HydrophobicContact CB-CB 3.98Å; L129-P209 HydrophobicContact CB-CG 4.13Å; L129-P209 HydrophobicContact CD1-CG 4.05Å; L132-P209 HydrophobicContact CD1-CG 3.88Å; D205-P209 WeakPolarHBondContact O-CD 3.45Å; L206-P209 VanDerWaalsContact O-CD 3.24Å; L206-P209 WeakPolarHBondContact O-CD 3.49Å; P209-R212 PolarHBondContact O-N 2.93Å; P209-L213 VanDerWaalsContact O-CB 3.26Å; P209-L213 WeakPolarHBondContact O-CB 3.49Å; P209-L213 WeakPolarHBondContact O-CD1 3.4Å; P209-L213 WeakPolarHBondContact O-CG 3.13Å; P209-L213 PolarHBondContact O-N 3.26Å
210L93.8Very high92.9Very high27 Ų2757 Ų5714%0.14130%0.3CS..Hα-helixtrans-62.1-44.3176.8-75.5179000112.2L129 L206 G214 I215 Y216L129-L210 HydrophobicContact CD1-CD2 4.24Å; L129-L210 HydrophobicContact CD1-CG 4.47Å; L129-L210 HydrophobicContact CD2-CD2 4.41Å; L206-L210 HydrophobicContact CD2-CD1 3.93Å; L206-L210 HydrophobicContact CG-CD1 3.69Å; L206-L210 HydrophobicContact CG-CG 4.14Å; L206-L210 WeakPolarHBondContact O-CB 3.36Å; L206-L210 WeakPolarHBondContact O-CG 3.33Å; L206-L210 PolarHBondContact O-N 3.25Å; L210-G214 PolarHBondContact O-N 3.25Å; L210-I215 HydrophobicContact CD2-CB 3.98Å; L210-I215 HydrophobicContact CD2-CD1 4.22Å; L210-I215 HydrophobicContact CD2-CG2 3.85Å; L210-I215 PolarHBondContact O-N 3.41Å; L210-Y216 PolarHBondContact O-N 2.93Å
211D92.8Very high92.8Very high62 Ų6254 Ų5433%0.33228%0.283SS..Hα-helixtrans-65.8-47.3176.2-173.171.8000111.1F207 L213 G214 Y216 S218 V223F207-D211 VanDerWaalsContact O-CB 3.24Å; F207-D211 WeakPolarHBondContact O-CB 3.29Å; F207-D211 PolarHBondContact O-N 2.81Å; F207-D211 VanDerWaalsContact O-N 3.07Å; D211-L213 VanDerWaalsContact C-N 3.28Å; D211-L213 PolarHBondContact O-N 3.42Å; D211-G214 PolarHBondContact O-N 3.03Å; D211-Y216 WeakPolarHBondContact CA-O 3.12Å; D211-Y216 PolarHBondContact N-O 3.33Å; D211-S218 PolarHBondContact OD1-N 2.91Å; D211-V223 HydrophobicContact CB-CG2 4.24Å
212R90.8Very high92.8Very high128 Ų12855.5 Ų55.548%0.48330%0.295SS..Hα-helixtrans-65.8-27.3-179.1-170.7161.8179.1-172.95.6114.2S121 S125 I208 P209S121-R212 PolarHBondContact OG-NE 2.98Å; S121-R212 PolarHBondContact OG-NH2 3.14Å; S125-R212 WeakPolarHBondContact OG-CD 3.48Å; S125-R212 WeakPolarHBondContact OG-CG 3.38Å; S125-R212 PolarHBondContact OG-NE 3.15Å; I208-R212 WeakPolarHBondContact O-CB 3.25Å; I208-R212 PolarHBondContact O-N 2.99Å; P209-R212 PolarHBondContact O-N 2.93Å
213L93.3Very high92.7Very high39 Ų3956.2 Ų56.220%0.20430%0.299CS..THydrogen-bonded Turntrans-88-6.1175.2-66.7172.1000112.8I122 R126 L129 P209 D211 I215I122-L213 HydrophobicContact CG2-CD2 3.9Å; R126-L213 HydrophobicContact CG-CD1 4.1Å; R126-L213 HydrophobicContact CG-CD2 3.61Å; L129-L213 HydrophobicContact CB-CD1 4.36Å; L129-L213 HydrophobicContact CD2-CD1 3.78Å; P209-L213 VanDerWaalsContact O-CB 3.26Å; P209-L213 WeakPolarHBondContact O-CB 3.49Å; P209-L213 WeakPolarHBondContact O-CD1 3.4Å; P209-L213 WeakPolarHBondContact O-CG 3.13Å; P209-L213 PolarHBondContact O-N 3.26Å; D211-L213 VanDerWaalsContact C-N 3.28Å; D211-L213 PolarHBondContact O-N 3.42Å; L213-I215 HydrophobicContact CB-CD1 3.87Å; L213-I215 HydrophobicContact CB-CG1 3.9Å; L213-I215 HydrophobicContact CD1-CD1 3.94Å; L213-I215 PolarHBondContact O-N 2.97Å
214G90.7Very high92.7Very high49 Ų4952.4 Ų52.451%0.50528%0.28SS..THydrogen-bonded Turntrans69.614.1-176.900000114.2L210 D211L210-G214 PolarHBondContact O-N 3.25Å; D211-G214 PolarHBondContact O-N 3.03Å
215I91.8Very high92.7Very high109 Ų10956.8 Ų56.856%0.55930%0.297SS*.SBendtrans-72.9-43.5179.1-62.2170.3000109.8L129 L210 L213L129-I215 HydrophobicContact CD2-CD1 3.97Å; L210-I215 HydrophobicContact CD2-CB 3.98Å; L210-I215 HydrophobicContact CD2-CD1 4.22Å; L210-I215 HydrophobicContact CD2-CG2 3.85Å; L210-I215 PolarHBondContact O-N 3.41Å; L213-I215 HydrophobicContact CB-CD1 3.87Å; L213-I215 HydrophobicContact CB-CG1 3.9Å; L213-I215 HydrophobicContact CD1-CD1 3.94Å; L213-I215 PolarHBondContact O-N 2.97Å
216Y90.8Very high92.7Very high137 Ų13757.2 Ų57.254%0.53730%0.3SS..SBendtrans-140.7110.9176.7-177.8-99.8000109.7F207 L210 D211 S218F207-Y216 HydrophobicContact CD1-CD1 4.44Å; F207-Y216 HydrophobicContact CD1-CE1 4.39Å; F207-Y216 HydrophobicContact CE1-CE1 4.17Å; L210-Y216 PolarHBondContact O-N 2.93Å; D211-Y216 WeakPolarHBondContact CA-O 3.12Å; D211-Y216 PolarHBondContact N-O 3.33Å; Y216-S218 VanDerWaalsContact CD1-OG 3.3Å; Y216-S218 WeakPolarHBondContact CD1-OG 3.49Å; Y216-S218 WeakPolarHBondContact CE1-OG 3.48Å; Y216-S218 PolarHBondContact O-N 3.33Å
217K89.5Confident92.7Very high183 Ų18355.1 Ų55.180%0.79629%0.289SS*.  trans-76.2107.3-178.3-68.5-177.3-179.4176.70109.7
218S88.9Confident92.8Very high17 Ų1754.1 Ų54.112%0.11929%0.286CS..  trans-96.1149.7177.6-62.60000109.7F207 D211 Y216F207-S218 WeakPolarHBondContact CD1-OG 3.44Å; D211-S218 PolarHBondContact OD1-N 2.91Å; Y216-S218 VanDerWaalsContact CD1-OG 3.3Å; Y216-S218 WeakPolarHBondContact CD1-OG 3.49Å; Y216-S218 WeakPolarHBondContact CE1-OG 3.48Å; Y216-S218 PolarHBondContact O-N 3.33Å
219S91Very high93Very high49 Ų4955.3 Ų55.334%0.34329%0.292SS..  trans-63.9145.2169.975.30000109.5G221 V222 V223S219-G221 PolarHBondContact O-N 3.29Å; S219-V222 PolarHBondContact O-N 3.05Å; S219-V222 WeakPolarHBondContact OG-CG2 3.34Å; S219-V222 PolarHBondContact OG-N 3.29Å; S219-V223 PolarHBondContact O-N 3.48Å; S219-V223 VanDerWaalsContact O-N 3.15Å
220A89.7Confident93Very high67 Ų6755.2 Ų55.255%0.55429%0.292SS*.Hα-helixtrans-56.9-27.9178.200000112.4Y31 G224Y31-A220 HydrophobicContact CD2-CB 4.02Å; A220-G224 PolarHBondContact O-N 3.38Å
221G92.8Very high93Very high6 Ų654 Ų546%0.06229%0.285CS..Hα-helixtrans-66.5-41.8172.700000113.8Y31 S219 G224 F225Y31-G221 VanDerWaalsContact CD2-N 3.25Å; S219-G221 PolarHBondContact O-N 3.29Å; G221-G224 PolarHBondContact O-N 3.14Å; G221-F225 VanDerWaalsContact O-CB 3.28Å; G221-F225 WeakPolarHBondContact O-CB 3.5Å; G221-F225 PolarHBondContact O-N 3.04Å
222V93.9Very high93Very high57 Ų5755.2 Ų55.235%0.34529%0.291SS..Hα-helixtrans-64.5-46.8175.9170.10000110.1F207 S219 G224 F225 C226F207-V222 HydrophobicContact CD1-CG1 4.2Å; F207-V222 HydrophobicContact CE1-CG1 4.39Å; F207-V222 HydrophobicContact CG-CG1 4.36Å; S219-V222 PolarHBondContact O-N 3.05Å; S219-V222 WeakPolarHBondContact OG-CG2 3.34Å; S219-V222 PolarHBondContact OG-N 3.29Å; V222-G224 VanDerWaalsContact C-N 3.31Å; V222-G224 PolarHBondContact O-N 3.4Å; V222-F225 PolarHBondContact O-N 3.15Å; V222-C226 VanDerWaalsContact O-CB 3.31Å; V222-C226 WeakPolarHBondContact O-CB 3.49Å; V222-C226 PolarHBondContact O-N 3.31Å; V222-C226 PolarHBondContact O-SG 3.38Å; V222-C226 VanDerWaalsContact O-SG 3.36Å
223V94Very high93.1Very high21 Ų2150 Ų5013%0.12727%0.273CS..Hα-helixtrans-61.4-41.9176.8-179.20000111.1Y24 I208 D211 S219 G227Y24-V223 HydrophobicContact CE1-CG1 4.32Å; I208-V223 HydrophobicContact CG1-CG1 4.05Å; D211-V223 HydrophobicContact CB-CG2 4.24Å; S219-V223 PolarHBondContact O-N 3.48Å; S219-V223 VanDerWaalsContact O-N 3.15Å; V223-G227 PolarHBondContact O-N 3.26Å
224G94.1Very high92.8Very high1 Ų148.3 Ų48.31%0.0127%0.265CS..Hα-helixtrans-58.7-50.8173.600000112.9Y24 A220 G221 V222 L228Y24-G224 WeakPolarHBondContact CB-O 3.37Å; A220-G224 PolarHBondContact O-N 3.38Å; G221-G224 PolarHBondContact O-N 3.14Å; V222-G224 VanDerWaalsContact C-N 3.31Å; V222-G224 PolarHBondContact O-N 3.4Å; G224-L228 WeakPolarHBondContact O-CB 3.11Å; G224-L228 PolarHBondContact O-N 3.2Å
225F96.4Very high92.8Very high109 Ų10947.9 Ų47.948%0.47825%0.251SS..Hα-helixtrans-65.7-52-179.2178.8-103.4000112.3L28 G221 V222 G227 L228 I229L28-F225 HydrophobicContact CD1-CB 4.17Å; L28-F225 HydrophobicContact CD2-CB 4.32Å; L28-F225 HydrophobicContact CD2-CD2 4.15Å; G221-F225 VanDerWaalsContact O-CB 3.28Å; G221-F225 WeakPolarHBondContact O-CB 3.5Å; G221-F225 PolarHBondContact O-N 3.04Å; V222-F225 PolarHBondContact O-N 3.15Å; F225-G227 VanDerWaalsContact C-N 3.32Å; F225-G227 PolarHBondContact O-N 3.04Å; F225-L228 WeakPolarHBondContact O-CB 3.48Å; F225-L228 PolarHBondContact O-N 3.14Å; F225-L228 VanDerWaalsContact O-N 3.09Å; F225-I229 HydrophobicContact CD1-CG1 4.34Å; F225-I229 HydrophobicContact CD2-CG1 4.48Å; F225-I229 HydrophobicContact CE1-CG1 3.93Å; F225-I229 HydrophobicContact CE2-CD1 4.17Å; F225-I229 HydrophobicContact CE2-CG1 4.08Å; F225-I229 HydrophobicContact CZ-CD1 4Å; F225-I229 HydrophobicContact CZ-CG1 3.79Å; F225-I229 WeakPolarHBondContact O-CG1 3.45Å; F225-I229 PolarHBondContact O-N 3.42Å
226C96.1Very high92.5Very high13 Ų1346 Ų469%0.08824%0.241CC..Hα-helixtrans-61.2-42.1178.6-68.60000111.4C204 F207 V222 L228 I229 S230C204-C226 HydrophobicContact CB-CB 3.94Å; C204-C226 WeakPolarHBondContact CB-O 3.34Å; C204-C226 WeakPolarHBondContact O-CB 3.5Å; F207-C226 HydrophobicContact CD2-CB 4.1Å; V222-C226 VanDerWaalsContact O-CB 3.31Å; V222-C226 WeakPolarHBondContact O-CB 3.49Å; V222-C226 PolarHBondContact O-N 3.31Å; V222-C226 PolarHBondContact O-SG 3.38Å; V222-C226 VanDerWaalsContact O-SG 3.36Å; C226-L228 VanDerWaalsContact C-N 3.28Å; C226-L228 PolarHBondContact O-N 3.41Å; C226-I229 PolarHBondContact O-N 2.86Å; C226-S230 WeakPolarHBondContact O-CB 3.48Å; C226-S230 PolarHBondContact O-N 3.47Å; C226-S230 PolarHBondContact O-OG 3Å
227G94.9Very high92.2Very high0 Ų040.8 Ų40.80%022%0.224CC..Hα-helixtrans-63.1-32.6175.100000113.4Y24 V223 F225 S230 S231Y24-G227 WeakPolarHBondContact CD2-O 3.49Å; V223-G227 PolarHBondContact O-N 3.26Å; F225-G227 VanDerWaalsContact C-N 3.32Å; F225-G227 PolarHBondContact O-N 3.04Å; G227-S230 PolarHBondContact O-OG 3.03Å; G227-S231 WeakPolarHBondContact O-CB 3.35Å; G227-S231 PolarHBondContact O-N 3.47Å; G227-S231 PolarHBondContact O-OG 3.03Å
228L96.6Very high91.8Very high34 Ų3433.6 Ų33.618%0.17819%0.194CC..Hα-helixtrans-70.7-50.417417959.2000111.2A21 A25 L28 G224 F225 C226 S230 S231 L232A21-L228 HydrophobicContact CB-CD1 4.28Å; A21-L228 WeakPolarHBondContact O-CD1 3.48Å; A25-L228 HydrophobicContact CB-CD1 4.09Å; A25-L228 HydrophobicContact CB-CD2 4.36Å; L28-L228 HydrophobicContact CD2-CD2 4.28Å; G224-L228 WeakPolarHBondContact O-CB 3.11Å; G224-L228 PolarHBondContact O-N 3.2Å; F225-L228 WeakPolarHBondContact O-CB 3.48Å; F225-L228 PolarHBondContact O-N 3.14Å; F225-L228 VanDerWaalsContact O-N 3.09Å; C226-L228 VanDerWaalsContact C-N 3.28Å; C226-L228 PolarHBondContact O-N 3.41Å; L228-S230 PolarHBondContact O-N 2.85Å; L228-S231 WeakPolarHBondContact O-CB 3.44Å; L228-S231 PolarHBondContact O-N 3.34Å; L228-S231 VanDerWaalsContact O-N 3.11Å; L228-L232 HydrophobicContact CD1-CD1 4.31Å; L228-L232 HydrophobicContact CD1-CG 4.23Å; L228-L232 HydrophobicContact CG-CD1 4.19Å; L228-L232 WeakPolarHBondContact O-CG 3.34Å; L228-L232 PolarHBondContact O-N 2.99Å
229I95.9Very high91.4Very high52 Ų5234.3 Ų34.327%0.26720%0.201SC..Hα-helixtrans-57-48.6178.4-66.8-64.1000111F225 C226 S231 L232 I233F225-I229 HydrophobicContact CD1-CG1 4.34Å; F225-I229 HydrophobicContact CD2-CG1 4.48Å; F225-I229 HydrophobicContact CE1-CG1 3.93Å; F225-I229 HydrophobicContact CE2-CD1 4.17Å; F225-I229 HydrophobicContact CE2-CG1 4.08Å; F225-I229 HydrophobicContact CZ-CD1 4Å; F225-I229 HydrophobicContact CZ-CG1 3.79Å; F225-I229 WeakPolarHBondContact O-CG1 3.45Å; F225-I229 PolarHBondContact O-N 3.42Å; C226-I229 PolarHBondContact O-N 2.86Å; I229-S231 PolarHBondContact O-N 2.9Å; I229-L232 PolarHBondContact O-N 3.1Å; I229-I233 HydrophobicContact CG2-CD1 3.86Å; I229-I233 WeakPolarHBondContact O-CG1 3.49Å; I229-I233 PolarHBondContact O-N 2.87Å
230S95.2Very high90.7Very high0 Ų038.7 Ų38.70%021%0.21CC..Hα-helixtrans-62.1-32.8179.176.80000112.5D205 C226 G227 L228 G234D205-S230 WeakPolarHBondContact OD1-CB 3.27Å; D205-S230 PolarHBondContact OD1-OG 3.35Å; C226-S230 WeakPolarHBondContact O-CB 3.48Å; C226-S230 PolarHBondContact O-N 3.47Å; C226-S230 PolarHBondContact O-OG 3Å; G227-S230 PolarHBondContact O-OG 3.03Å; L228-S230 PolarHBondContact O-N 2.85Å; S230-G234 PolarHBondContact O-N 3.31Å
231S93.9Very high89.7Confident0 Ų040.2 Ų40.20%021%0.214CC..Hα-helixtrans-71.3-44.4176-58.10000112.1R20 G227 L228 I229 I233 G234 I235R20-S231 WeakPolarHBondContact CD-OG 3.42Å; R20-S231 WeakPolarHBondContact CG-OG 3.41Å; G227-S231 WeakPolarHBondContact O-CB 3.35Å; G227-S231 PolarHBondContact O-N 3.47Å; G227-S231 PolarHBondContact O-OG 3.03Å; L228-S231 WeakPolarHBondContact O-CB 3.44Å; L228-S231 PolarHBondContact O-N 3.34Å; L228-S231 VanDerWaalsContact O-N 3.11Å; I229-S231 PolarHBondContact O-N 2.9Å; S231-I233 VanDerWaalsContact C-N 3.34Å; S231-I233 PolarHBondContact O-N 3.37Å; S231-G234 CarbonylContact O-C 3.54Å; S231-G234 WeakPolarHBondContact O-CA 3.46Å; S231-G234 PolarHBondContact O-N 3.32Å; S231-G234 VanDerWaalsContact O-N 3.08Å; S231-I235 WeakPolarHBondContact O-CG1 3.27Å; S231-I235 PolarHBondContact O-N 3Å
232L93.7Very high88.4Confident89 Ų8945.6 Ų45.647%0.46625%0.246SC..Hα-helixtrans-61.8-43.1177-67.8175.1000111.3L228 I229 G234 I235 L236L228-L232 HydrophobicContact CD1-CD1 4.31Å; L228-L232 HydrophobicContact CD1-CG 4.23Å; L228-L232 HydrophobicContact CG-CD1 4.19Å; L228-L232 WeakPolarHBondContact O-CG 3.34Å; L228-L232 PolarHBondContact O-N 2.99Å; I229-L232 PolarHBondContact O-N 3.1Å; L232-G234 VanDerWaalsContact C-N 3.3Å; L232-G234 PolarHBondContact O-N 3.14Å; L232-I235 PolarHBondContact O-N 3.49Å; L232-L236 WeakPolarHBondContact O-CB 3.38Å; L232-L236 PolarHBondContact O-N 3.44Å
233I91.9Very high86.9Confident18 Ų1844.5 Ų44.59%0.09224%0.238CC..Hα-helixtrans-60.2-42.6172.1-64.5168.3000110.4L197 V200 K201 I229 S231 I235 L236 T237L197-I233 HydrophobicContact CB-CG2 3.9Å; L197-I233 HydrophobicContact CD2-CG1 4.27Å; L197-I233 HydrophobicContact CD2-CG2 4.11Å; V200-I233 HydrophobicContact CB-CD1 4.21Å; V200-I233 HydrophobicContact CG1-CD1 3.7Å; K201-I233 HydrophobicContact CB-CB 4.38Å; K201-I233 HydrophobicContact CB-CD1 4.37Å; K201-I233 HydrophobicContact CB-CG2 3.99Å; K201-I233 HydrophobicContact CD-CG2 4.24Å; I229-I233 HydrophobicContact CG2-CD1 3.86Å; I229-I233 WeakPolarHBondContact O-CG1 3.49Å; I229-I233 PolarHBondContact O-N 2.87Å; S231-I233 VanDerWaalsContact C-N 3.34Å; S231-I233 PolarHBondContact O-N 3.37Å; I233-I235 VanDerWaalsContact C-N 3.33Å; I233-I235 PolarHBondContact O-N 3.28Å; I233-L236 PolarHBondContact O-N 3.33Å; I233-T237 HydrophobicContact CG2-CG2 4.13Å; I233-T237 WeakPolarHBondContact O-CB 3.39Å; I233-T237 VanDerWaalsContact O-CG2 3.32Å; I233-T237 WeakPolarHBondContact O-CG2 3.38Å; I233-T237 PolarHBondContact O-N 3.1Å; I233-T237 PolarHBondContact O-OG1 3.35Å
234G87.9Confident85.2Confident4 Ų451 Ų514%0.04126%0.26CS..Hα-helixtrans-61-37.617600000113.8S230 S231 L232 T237 L238S230-G234 PolarHBondContact O-N 3.31Å; S231-G234 CarbonylContact O-C 3.54Å; S231-G234 WeakPolarHBondContact O-CA 3.46Å; S231-G234 PolarHBondContact O-N 3.32Å; S231-G234 VanDerWaalsContact O-N 3.08Å; L232-G234 VanDerWaalsContact C-N 3.3Å; L232-G234 PolarHBondContact O-N 3.14Å; G234-T237 WeakPolarHBondContact CA-OG1 3.35Å; G234-T237 PolarHBondContact O-OG1 3.29Å; G234-L238 WeakPolarHBondContact O-CB 3.41Å; G234-L238 PolarHBondContact O-N 3.02Å
235I89.3Confident83.5Confident39 Ų3952.6 Ų52.620%0.227%0.268CS..Hα-helixtrans-68.9-47.8174.6-66.2169.9000110F8 R17 V18 A21 S231 L232 I233 T237 L238 A239F8-I235 HydrophobicContact CE1-CG2 4.48Å; F8-I235 HydrophobicContact CE2-CB 4.36Å; F8-I235 HydrophobicContact CE2-CG1 4.36Å; F8-I235 HydrophobicContact CE2-CG2 3.99Å; F8-I235 HydrophobicContact CZ-CB 4.31Å; F8-I235 HydrophobicContact CZ-CG1 4Å; F8-I235 HydrophobicContact CZ-CG2 3.79Å; R17-I235 HydrophobicContact CB-CG1 3.78Å; V18-I235 HydrophobicContact CG2-CD1 4.38Å; A21-I235 HydrophobicContact CB-CD1 3.99Å; S231-I235 WeakPolarHBondContact O-CG1 3.27Å; S231-I235 PolarHBondContact O-N 3Å; L232-I235 PolarHBondContact O-N 3.49Å; I233-I235 VanDerWaalsContact C-N 3.33Å; I233-I235 PolarHBondContact O-N 3.28Å; I235-T237 PolarHBondContact O-N 3.06Å; I235-L238 PolarHBondContact O-N 3.45Å; I235-A239 WeakPolarHBondContact O-CB 3.28Å; I235-A239 PolarHBondContact O-N 3.48Å
236L87.1Confident81.9Confident70 Ų7056.3 Ų56.337%0.36628%0.284SS..Hα-helixtrans-60-46.9-178.8-179.664.7000112L197 L232 I233 L238 A239 R240 L243L197-L236 HydrophobicContact CD1-CD2 4.44Å; L232-L236 WeakPolarHBondContact O-CB 3.38Å; L232-L236 PolarHBondContact O-N 3.44Å; I233-L236 PolarHBondContact O-N 3.33Å; L236-L238 VanDerWaalsContact C-N 3.31Å; L236-L238 PolarHBondContact O-N 3.21Å; L236-A239 PolarHBondContact O-N 2.62Å; L236-R240 PolarHBondContact O-N 2.96Å; L236-L243 HydrophobicContact CD2-CD1 4.42Å; L236-L243 HydrophobicContact CG-CD1 4.21Å
237T84.2Confident79.6Confident27 Ų2760.8 Ų60.817%0.16631%0.313CS..Hα-helixtrans-68.1-27.9179.751.10000113.2L197 I233 G234 I235 R240L197-T237 HydrophobicContact CB-CG2 4.42Å; L197-T237 HydrophobicContact CD1-CG2 4.24Å; I233-T237 HydrophobicContact CG2-CG2 4.13Å; I233-T237 WeakPolarHBondContact O-CB 3.39Å; I233-T237 VanDerWaalsContact O-CG2 3.32Å; I233-T237 WeakPolarHBondContact O-CG2 3.38Å; I233-T237 PolarHBondContact O-N 3.1Å; I233-T237 PolarHBondContact O-OG1 3.35Å; G234-T237 WeakPolarHBondContact CA-OG1 3.35Å; G234-T237 PolarHBondContact O-OG1 3.29Å; I235-T237 PolarHBondContact O-N 3.06Å; T237-R240 CarbonylContact O-C 3.54Å
238L80.7Confident78.9Confident32 Ų3263.9 Ų63.917%0.16833%0.329CS..Hα-helixtrans-80-38.1174.1-167.962.1000111.9F8 Q13 G234 I235 L236 R240F8-L238 HydrophobicContact CD2-CB 4.04Å; F8-L238 HydrophobicContact CD2-CD2 3.64Å; F8-L238 HydrophobicContact CD2-CG 3.88Å; F8-L238 HydrophobicContact CE2-CB 4.17Å; F8-L238 HydrophobicContact CE2-CD2 3.73Å; F8-L238 HydrophobicContact CE2-CG 4.27Å; Q13-L238 HydrophobicContact CB-CD2 4.28Å; G234-L238 WeakPolarHBondContact O-CB 3.41Å; G234-L238 PolarHBondContact O-N 3.02Å; I235-L238 PolarHBondContact O-N 3.45Å; L236-L238 VanDerWaalsContact C-N 3.31Å; L236-L238 PolarHBondContact O-N 3.21Å; L238-R240 VanDerWaalsContact C-N 3.35Å
239A79.3Confident77.9Confident32 Ų3265.4 Ų65.426%0.26434%0.337SS..Hα-helixtrans-71.9-28177.200000113I235 L236I235-A239 WeakPolarHBondContact O-CB 3.28Å; I235-A239 PolarHBondContact O-N 3.48Å; L236-A239 PolarHBondContact O-N 2.62Å
240R78.3Confident76.9Confident142 Ų14266.2 Ų66.254%0.53634%0.34SS..  trans-120.789.6175.4-67.3-172.9178.51790.5110.3L236 T237 L238 T242 L243L236-R240 PolarHBondContact O-N 2.96Å; T237-R240 CarbonylContact O-C 3.54Å; L238-R240 VanDerWaalsContact C-N 3.35Å; R240-T242 PolarHBondContact O-N 3.45Å; R240-L243 HydrophobicContact CB-CB 4.48Å; R240-L243 HydrophobicContact CB-CD1 3.94Å; R240-L243 HydrophobicContact CB-CG 4.13Å; R240-L243 WeakPolarHBondContact O-CB 3.1Å; R240-L243 PolarHBondContact O-N 3.08Å
241P67.9Low75.9Confident98 Ų9870.1 Ų70.164%0.63636%0.36SS*.G310 helixtrans-59.4-21.9-179.5-22.432.1000113.9L243 R244P241-L243 PolarHBondContact O-N 2.97Å; P241-R244 WeakPolarHBondContact O-CB 3.44Å; P241-R244 PolarHBondContact O-N 3.22Å
242T65.1Low74.7Confident120 Ų12074.4 Ų74.474%0.73638%0.383SS*.G310 helixtrans-64.4-21173.751.60000113.3R240R240-T242 PolarHBondContact O-N 3.45Å
243L61.9Low73.5Confident33 Ų3373.5 Ų73.517%0.17338%0.377CS..G310 helixtrans-94.44.6177.2-63.1177.3000112.9P193 L197 L236 R240 P241P193-L243 HydrophobicContact CB-CD2 4.33Å; P193-L243 HydrophobicContact CG-CD2 4.15Å; L197-L243 HydrophobicContact CD1-CB 4.38Å; L197-L243 HydrophobicContact CD1-CD1 4.34Å; L236-L243 HydrophobicContact CD2-CD1 4.42Å; L236-L243 HydrophobicContact CG-CD1 4.21Å; R240-L243 HydrophobicContact CB-CB 4.48Å; R240-L243 HydrophobicContact CB-CD1 3.94Å; R240-L243 HydrophobicContact CB-CG 4.13Å; R240-L243 WeakPolarHBondContact O-CB 3.1Å; R240-L243 PolarHBondContact O-N 3.08Å; P241-L243 PolarHBondContact O-N 2.97Å
244R59.7Low72.1Confident159 Ų15977.4 Ų77.460%0.640%0.398SS*.SBendtrans-90.4130178.8-169.7175175.7174.6-2.5110.1P241 K246P241-R244 WeakPolarHBondContact O-CB 3.44Å; P241-R244 PolarHBondContact O-N 3.22Å; R244-K246 PolarHBondContact O-N 2.82Å
245I58.4Low70.9Confident34 Ų3483.1 Ų83.117%0.17443%0.425CS..PPolyproline II helixtrans-60.6123.4170.3-59.9168.4000108.1T194 V195 D198T194-I245 WeakPolarHBondContact O-CD1 3.48Å; T194-I245 WeakPolarHBondContact O-CG1 3.33Å; V195-I245 HydrophobicContact CB-CD1 4.37Å; V195-I245 HydrophobicContact CG2-CD1 4.22Å; V195-I245 HydrophobicContact CG2-CG1 4.27Å; D198-I245 HydrophobicContact CB-CD1 3.26Å; D198-I245 HydrophobicContact CB-CG1 4.36Å
246K62.6Low69.4Low187 Ų18786.8 Ų86.881%0.81344%0.444SS*.PPolyproline II helixtrans-79.9132.6168.9-66.9-178-178.9178.20107.7R244R244-K246 PolarHBondContact O-N 2.82Å
247P47.9Very low67.8Low107 Ų10788.3 Ų88.370%0.69545%0.451SS*.  trans-64.20175.729.5-34.4000111.7L78 L83 L87L78-P247 HydrophobicContact CD1-CB 4.2Å; L78-P247 HydrophobicContact CD2-CB 4.35Å; L83-P247 WeakPolarHBondContact CD2-OXT 3.33Å; L87-P247 HydrophobicContact CD1-CB 4.17Å

Retrieved 247 of 247 residues in 2091.3 ms (Link to these results)

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