A0A077Z5G5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z5G5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 186 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
1M49.6Very low69.3Low236 Ų23694.5 Ų94.5100%1.16351%0.51SS*.  0126.90-163.6179.4-66.300106.7
2I56.1Low70.5Confident32 Ų3286.8 Ų86.816%0.16447%0.468CS..  trans-77138.6178.9-56.4172.3000108T4 F6 R30 K33 L34I2-T4 PolarHBondContact O-N 3.44Å; I2-F6 HydrophobicContact CG2-CZ 4.07Å; I2-R30 HydrophobicContact CD1-CB 3.52Å; I2-R30 HydrophobicContact CD1-CG 3.75Å; I2-R30 VanDerWaalsContact CD1-O 3.28Å; I2-R30 WeakPolarHBondContact CD1-O 3.1Å; I2-R30 HydrophobicContact CG1-CB 3.88Å; I2-R30 HydrophobicContact CG1-CG 3.73Å; I2-K33 HydrophobicContact CD1-CB 3.77Å; I2-K33 HydrophobicContact CD1-CD 3.72Å; I2-K33 HydrophobicContact CD1-CG 4.31Å; I2-L34 HydrophobicContact CG2-CD2 3.88Å
3P61.2Low71.5Confident67 Ų6782.2 Ų82.244%0.43544%0.443SS..  trans-56.5121.9169-15.626.4000109.7K5 F6P3-K5 PolarHBondContact O-N 2.94Å; P3-F6 HydrophobicContact CB-CE1 4.26Å; P3-F6 HydrophobicContact CB-CZ 4.4Å; P3-F6 HydrophobicContact CG-CE1 4.21Å; P3-F6 VanDerWaalsContact O-CE2 3.31Å; P3-F6 WeakPolarHBondContact O-CE2 3.21Å; P3-F6 WeakPolarHBondContact O-CZ 3.4Å
4T59.5Low72.4Confident129 Ų12982.8 Ų82.879%0.79145%0.445SS*.SBendtrans-77.8-8.1173.947.20000112.5I2I2-T4 PolarHBondContact O-N 3.44Å
5K67.6Low73.4Confident177 Ų17778.9 Ų78.977%0.7743%0.427SS*.  trans-133120.8178-65-176.8179.3-1800108.2P3P3-K5 PolarHBondContact O-N 2.94Å
6F76.3Confident74.3Confident25 Ų2574 Ų7411%0.1140%0.4CS..  trans-100.7140169.9-63.1-84000108.4I2 P3 D11 F12 C15 L34 F43I2-F6 HydrophobicContact CG2-CZ 4.07Å; P3-F6 HydrophobicContact CB-CE1 4.26Å; P3-F6 HydrophobicContact CB-CZ 4.4Å; P3-F6 HydrophobicContact CG-CE1 4.21Å; P3-F6 VanDerWaalsContact O-CE2 3.31Å; P3-F6 WeakPolarHBondContact O-CE2 3.21Å; P3-F6 WeakPolarHBondContact O-CZ 3.4Å; F6-D11 HydrophobicContact CD1-CB 4.3Å; F6-F12 HydrophobicContact CB-CB 4.28Å; F6-F12 HydrophobicContact CD1-CB 3.92Å; F6-F12 HydrophobicContact CD1-CD2 4.3Å; F6-F12 HydrophobicContact CD2-CB 4.44Å; F6-F12 AromaticContact CD2-CD2 3.63Å; F6-F12 HydrophobicContact CD2-CD2 3.63Å; F6-F12 HydrophobicContact CD2-CE2 4.44Å; F6-F12 HydrophobicContact CE1-CB 4.38Å; F6-F12 HydrophobicContact CE1-CD2 4.24Å; F6-F12 AromaticContact CE2-CD2 3.56Å; F6-F12 HydrophobicContact CE2-CD2 3.56Å; F6-F12 HydrophobicContact CE2-CE2 4.13Å; F6-F12 HydrophobicContact CG-CB 3.94Å; F6-F12 HydrophobicContact CG-CD2 4Å; F6-F12 HydrophobicContact CG-CG 4.5Å; F6-F12 AromaticContact CZ-CD2 3.88Å; F6-F12 HydrophobicContact CZ-CD2 3.88Å; F6-C15 HydrophobicContact CE1-CB 3.79Å; F6-C15 HydrophobicContact CZ-CB 4.42Å; F6-L34 HydrophobicContact CE2-CD2 3.88Å; F6-L34 HydrophobicContact CZ-CD2 3.69Å; F6-F43 HydrophobicContact CB-CD1 4.14Å; F6-F43 HydrophobicContact CB-CD2 4.03Å; F6-F43 HydrophobicContact CB-CE1 4.14Å; F6-F43 HydrophobicContact CB-CE2 4.02Å; F6-F43 HydrophobicContact CB-CG 4.11Å; F6-F43 HydrophobicContact CB-CZ 4.1Å; F6-F43 AromaticContact CD2-CE1 3.95Å; F6-F43 HydrophobicContact CD2-CE1 3.95Å; F6-F43 AromaticContact CD2-CZ 3.97Å; F6-F43 HydrophobicContact CD2-CZ 3.97Å; F6-F43 HydrophobicContact CG-CE1 4.47Å; F6-F43 HydrophobicContact CG-CZ 4.31Å; F6-F43 WeakPolarHBondContact O-CB 3.11Å
7S73.2Confident75.1Confident105 Ų10572.6 Ų72.673%0.73439%0.39SS*.SBendtrans-84-39-179.9-49.40000110.7D11S7-D11 WeakPolarHBondContact CB-OD2 3.42Å
8T77.9Confident75.9Confident58 Ų5875.6 Ų75.636%0.35640%0.399SS..SBendtrans-130.8167.6179.468.40000111.3D10 D11T8-D10 VanDerWaalsContact C-N 3.32Å; T8-D10 PolarHBondContact OG1-N 3.5Å; T8-D11 PolarHBondContact N-OD2 3.29Å; T8-D11 PolarHBondContact OG1-N 3.37Å; T8-D11 VanDerWaalsContact OG1-N 3.07Å; T8-D11 PolarHBondContact OG1-OD1 3.01Å; T8-D11 PolarHBondContact OG1-OD2 3Å
9Y78.1Confident76.7Confident25 Ų2571.9 Ų71.910%0.09838%0.38CS..Hα-helixtrans-65.7-36.9170.3175.9-109000111.9D11 F12 L13 L44 F47 C65 I68Y9-D11 VanDerWaalsContact C-N 3.35Å; Y9-D11 PolarHBondContact O-N 3.43Å; Y9-F12 WeakPolarHBondContact O-CB 3.49Å; Y9-F12 PolarHBondContact O-N 2.87Å; Y9-F12 VanDerWaalsContact O-N 3.13Å; Y9-L13 HydrophobicContact CD1-CD1 4.09Å; Y9-L13 HydrophobicContact CD1-CG 4.39Å; Y9-L13 HydrophobicContact CE1-CD1 3.3Å; Y9-L13 HydrophobicContact CE1-CG 3.83Å; Y9-L13 HydrophobicContact CE2-CD1 4.37Å; Y9-L13 HydrophobicContact CE2-CD2 4.24Å; Y9-L13 HydrophobicContact CE2-CG 4.08Å; Y9-L13 VanDerWaalsContact CZ-CD1 3.48Å; Y9-L13 PolarHBondContact O-N 3Å; Y9-L44 HydrophobicContact CD2-CD2 3.52Å; Y9-L44 HydrophobicContact CE2-CD2 4.25Å; Y9-L44 HydrophobicContact CG-CD2 4.45Å; Y9-F47 AromaticContact CD1-CD2 3.72Å; Y9-F47 HydrophobicContact CD1-CD2 3.72Å; Y9-F47 AromaticContact CD1-CE2 3.96Å; Y9-F47 HydrophobicContact CD1-CE2 3.96Å; Y9-F47 AromaticContact CD2-CD2 3.67Å; Y9-F47 HydrophobicContact CD2-CD2 3.67Å; Y9-F47 HydrophobicContact CD2-CE2 4.17Å; Y9-F47 HydrophobicContact CD2-CG 4.21Å; Y9-F47 AromaticContact CE1-CD2 3.57Å; Y9-F47 HydrophobicContact CE1-CD2 3.57Å; Y9-F47 AromaticContact CE1-CE2 3.3Å; Y9-F47 HydrophobicContact CE1-CE2 3.3Å; Y9-F47 HydrophobicContact CE1-CZ 4.37Å; Y9-F47 AromaticContact CE2-CD2 3.53Å; Y9-F47 HydrophobicContact CE2-CD2 3.53Å; Y9-F47 AromaticContact CE2-CE2 3.56Å; Y9-F47 HydrophobicContact CE2-CE2 3.56Å; Y9-F47 HydrophobicContact CE2-CG 4.15Å; Y9-F47 HydrophobicContact CE2-CZ 4.16Å; Y9-F47 AromaticContact CG-CD2 3.74Å; Y9-F47 HydrophobicContact CG-CD2 3.74Å; Y9-F47 HydrophobicContact CG-CE2 4.32Å; Y9-F47 AromaticContact CZ-CD2 3.45Å; Y9-F47 VanDerWaalsContact CZ-CD2 3.45Å; Y9-F47 AromaticContact CZ-CE2 3.05Å; Y9-F47 AromaticContact CZ-CZ 3.77Å; Y9-F47 WeakPolarHBondContact OH-CE2 3.34Å; Y9-F47 WeakPolarHBondContact OH-CZ 3.39Å; Y9-C65 PolarHBondContact OH-SG 3.35Å; Y9-I68 HydrophobicContact CD2-CD1 4.2Å; Y9-I68 HydrophobicContact CE2-CD1 3.66Å
10D80.3Confident77.4Confident115 Ų11569.4 Ų69.462%0.61537%0.366SS*.Hα-helixtrans-64.3-39.1178.6-55.5-36.7000111.8T8 F12 L13 L14T8-D10 VanDerWaalsContact C-N 3.32Å; T8-D10 PolarHBondContact OG1-N 3.5Å; D10-F12 PolarHBondContact O-N 2.94Å; D10-L13 PolarHBondContact O-N 3.21Å; D10-L14 WeakPolarHBondContact O-CB 3.26Å; D10-L14 PolarHBondContact O-N 3.43Å
11D82.2Confident78Confident70 Ų7068.8 Ų68.837%0.37437%0.371SS..Hα-helixtrans-61.1-37.1175-67.7-22.1000111.7F6 S7 T8 Y9 C15F6-D11 HydrophobicContact CD1-CB 4.3Å; S7-D11 WeakPolarHBondContact CB-OD2 3.42Å; T8-D11 PolarHBondContact N-OD2 3.29Å; T8-D11 PolarHBondContact OG1-N 3.37Å; T8-D11 VanDerWaalsContact OG1-N 3.07Å; T8-D11 PolarHBondContact OG1-OD1 3.01Å; T8-D11 PolarHBondContact OG1-OD2 3Å; Y9-D11 VanDerWaalsContact C-N 3.35Å; Y9-D11 PolarHBondContact O-N 3.43Å; D11-C15 VanDerWaalsContact O-CB 3.3Å; D11-C15 WeakPolarHBondContact O-CB 3.3Å; D11-C15 PolarHBondContact O-N 3.27Å
12F84.3Confident80.1Confident2 Ų261.9 Ų61.91%0.00934%0.336CS..Hα-helixtrans-68.9-48.6178.9176-94.2000111.5F6 Y9 D10 C15 A16 L34 F43 L64 I68F6-F12 HydrophobicContact CB-CB 4.28Å; F6-F12 HydrophobicContact CD1-CB 3.92Å; F6-F12 HydrophobicContact CD1-CD2 4.3Å; F6-F12 HydrophobicContact CD2-CB 4.44Å; F6-F12 AromaticContact CD2-CD2 3.63Å; F6-F12 HydrophobicContact CD2-CD2 3.63Å; F6-F12 HydrophobicContact CD2-CE2 4.44Å; F6-F12 HydrophobicContact CE1-CB 4.38Å; F6-F12 HydrophobicContact CE1-CD2 4.24Å; F6-F12 AromaticContact CE2-CD2 3.56Å; F6-F12 HydrophobicContact CE2-CD2 3.56Å; F6-F12 HydrophobicContact CE2-CE2 4.13Å; F6-F12 HydrophobicContact CG-CB 3.94Å; F6-F12 HydrophobicContact CG-CD2 4Å; F6-F12 HydrophobicContact CG-CG 4.5Å; F6-F12 AromaticContact CZ-CD2 3.88Å; F6-F12 HydrophobicContact CZ-CD2 3.88Å; Y9-F12 WeakPolarHBondContact O-CB 3.49Å; Y9-F12 PolarHBondContact O-N 2.87Å; Y9-F12 VanDerWaalsContact O-N 3.13Å; D10-F12 PolarHBondContact O-N 2.94Å; F12-C15 WeakPolarHBondContact O-CB 3.35Å; F12-C15 PolarHBondContact O-N 3.12Å; F12-A16 PolarHBondContact O-N 3.24Å; F12-L34 HydrophobicContact CD2-CD2 4.21Å; F12-L34 HydrophobicContact CE2-CB 3.93Å; F12-L34 HydrophobicContact CE2-CD1 4.41Å; F12-L34 HydrophobicContact CE2-CD2 3.71Å; F12-L34 HydrophobicContact CE2-CG 4.21Å; F12-L34 HydrophobicContact CZ-CB 3.88Å; F12-L34 HydrophobicContact CZ-CD2 4.49Å; F12-F43 HydrophobicContact CB-CE2 3.7Å; F12-F43 HydrophobicContact CB-CZ 4.11Å; F12-F43 HydrophobicContact CD2-CE2 4.03Å; F12-F43 AromaticContact CD2-CZ 3.55Å; F12-F43 HydrophobicContact CD2-CZ 3.55Å; F12-F43 HydrophobicContact CE2-CZ 4.05Å; F12-F43 AromaticContact CG-CE2 3.88Å; F12-F43 HydrophobicContact CG-CE2 3.88Å; F12-F43 AromaticContact CG-CZ 3.88Å; F12-F43 HydrophobicContact CG-CZ 3.88Å; F12-L64 HydrophobicContact CE1-CB 4.1Å; F12-L64 HydrophobicContact CE1-CD1 4.11Å; F12-L64 HydrophobicContact CE1-CD2 3.95Å; F12-L64 HydrophobicContact CE1-CG 4.3Å; F12-L64 HydrophobicContact CZ-CD2 3.91Å; F12-I68 HydrophobicContact CD1-CD1 4.14Å; F12-I68 HydrophobicContact CE1-CD1 3.71Å; F12-I68 HydrophobicContact CZ-CD1 4.4Å
13L83.5Confident81.8Confident28 Ų2866 Ų6615%0.14736%0.355CS..Hα-helixtrans-63.5-45.4176-72.3-171.4000111.6Y9 D10 C15 A16 H17 D61 L64Y9-L13 HydrophobicContact CD1-CD1 4.09Å; Y9-L13 HydrophobicContact CD1-CG 4.39Å; Y9-L13 HydrophobicContact CE1-CD1 3.3Å; Y9-L13 HydrophobicContact CE1-CG 3.83Å; Y9-L13 HydrophobicContact CE2-CD1 4.37Å; Y9-L13 HydrophobicContact CE2-CD2 4.24Å; Y9-L13 HydrophobicContact CE2-CG 4.08Å; Y9-L13 VanDerWaalsContact CZ-CD1 3.48Å; Y9-L13 PolarHBondContact O-N 3Å; D10-L13 PolarHBondContact O-N 3.21Å; L13-C15 PolarHBondContact O-N 3.44Å; L13-A16 WeakPolarHBondContact O-CB 3.03Å; L13-A16 PolarHBondContact O-N 3.04Å; L13-H17 WeakPolarHBondContact O-CB 3.49Å; L13-H17 PolarHBondContact O-N 3.4Å; L13-D61 HydrophobicContact CD2-CB 4.36Å; L13-L64 HydrophobicContact CD2-CB 4.31Å
14L84.5Confident83.4Confident90 Ų9064.3 Ų64.347%0.47135%0.345SS..Hα-helixtrans-59.5-37.7177.8-177.462.9000111.7D10 K18D10-L14 WeakPolarHBondContact O-CB 3.26Å; D10-L14 PolarHBondContact O-N 3.43Å; L14-K18 WeakPolarHBondContact O-CG 3.32Å; L14-K18 PolarHBondContact O-N 2.89Å; L14-K18 VanDerWaalsContact O-N 3.07Å
15C86.3Confident85Confident25 Ų2564.1 Ų64.117%0.16933%0.329CS..Hα-helixtrans-64.3-45.4174.6-176.40000111.5F6 D11 F12 L13 C19F6-C15 HydrophobicContact CE1-CB 3.79Å; F6-C15 HydrophobicContact CZ-CB 4.42Å; D11-C15 VanDerWaalsContact O-CB 3.3Å; D11-C15 WeakPolarHBondContact O-CB 3.3Å; D11-C15 PolarHBondContact O-N 3.27Å; F12-C15 WeakPolarHBondContact O-CB 3.35Å; F12-C15 PolarHBondContact O-N 3.12Å; L13-C15 PolarHBondContact O-N 3.44Å; C15-C19 PolarHBondContact O-N 2.93Å; C15-C19 VanDerWaalsContact O-N 3.1Å; C15-C19 PolarHBondContact O-SG 2.99Å
16A87.9Confident86.3Confident0 Ų058.7 Ų58.70%031%0.314CS..Hα-helixtrans-63.5-46.3178.100000112.4F12 L13 K18 C19 F20 L34 L64F12-A16 PolarHBondContact O-N 3.24Å; L13-A16 WeakPolarHBondContact O-CB 3.03Å; L13-A16 PolarHBondContact O-N 3.04Å; A16-K18 PolarHBondContact O-N 3.15Å; A16-C19 CarbonylContact O-C 3.55Å; A16-C19 WeakPolarHBondContact O-CA 3.44Å; A16-C19 WeakPolarHBondContact O-CB 3.27Å; A16-C19 PolarHBondContact O-N 3.2Å; A16-F20 PolarHBondContact O-N 3.49Å; A16-L34 HydrophobicContact CB-CD1 3.82Å; A16-L64 HydrophobicContact CB-CD1 3.08Å
17H88Confident87.2Confident50 Ų5057.5 Ų57.523%0.23131%0.308CS..Hα-helixtrans-55.3-50.2177.1-175118.5000111.5L13 C19 F20 A21 Y58 D61L13-H17 WeakPolarHBondContact O-CB 3.49Å; L13-H17 PolarHBondContact O-N 3.4Å; H17-C19 VanDerWaalsContact C-N 3.29Å; H17-C19 PolarHBondContact O-N 3.36Å; H17-F20 PolarHBondContact O-N 3.27Å; H17-F20 VanDerWaalsContact O-N 3.12Å; H17-A21 WeakPolarHBondContact O-CB 3.31Å; H17-A21 PolarHBondContact O-N 3.16Å; H17-Y58 AromaticContact CE1-CD1 3.65Å; H17-Y58 AromaticContact CE1-CD2 3.3Å; H17-Y58 WeakPolarHBondContact CE1-CD2 3.48Å; H17-Y58 AromaticContact CE1-CE1 3.38Å; H17-Y58 WeakPolarHBondContact CE1-CE1 3.44Å; H17-Y58 AromaticContact CE1-CE2 3.04Å; H17-Y58 WeakPolarHBondContact CE1-CE2 3.13Å; H17-Y58 AromaticContact CE1-CG 3.6Å; H17-Y58 AromaticContact CE1-CZ 3.06Å; H17-Y58 AromaticContact ND1-CD1 3.67Å; H17-Y58 AromaticContact ND1-CD2 3.61Å; H17-Y58 AromaticContact ND1-CE1 3.86Å; H17-Y58 AromaticContact ND1-CE2 3.84Å; H17-Y58 AromaticContact ND1-CG 3.54Å; H17-Y58 AromaticContact ND1-CZ 3.93Å; H17-Y58 AromaticContact NE2-CE1 3.49Å; H17-Y58 WeakPolarHBondContact NE2-CE1 3.3Å; H17-Y58 AromaticContact NE2-CE2 3.76Å; H17-Y58 AromaticContact NE2-CZ 3.28Å; H17-Y58 VanDerWaalsContact NE2-CZ 3.28Å; H17-Y58 PolarHBondContact NE2-OH 3.24Å; H17-D61 IonicContact ND1-OD2 3.98Å
18K89.5Confident88.2Confident126 Ų12652.5 Ų52.555%0.54827%0.273SS..Hα-helixtrans-59.1-40.9175.6-74.4178.1-179.6-179.60112L14 A16 F20 E22L14-K18 WeakPolarHBondContact O-CG 3.32Å; L14-K18 PolarHBondContact O-N 2.89Å; L14-K18 VanDerWaalsContact O-N 3.07Å; A16-K18 PolarHBondContact O-N 3.15Å; K18-F20 VanDerWaalsContact C-N 3.32Å; K18-F20 PolarHBondContact O-N 3.2Å; K18-E22 WeakPolarHBondContact O-CG 3.44Å
19C91.4Very high89Confident6 Ų652.3 Ų52.34%0.04127%0.269CS..Hα-helixtrans-69-30.8177.8-64.10000112.7C15 A16 H17 G27 R30 I31C15-C19 PolarHBondContact O-N 2.93Å; C15-C19 VanDerWaalsContact O-N 3.1Å; C15-C19 PolarHBondContact O-SG 2.99Å; A16-C19 CarbonylContact O-C 3.55Å; A16-C19 WeakPolarHBondContact O-CA 3.44Å; A16-C19 WeakPolarHBondContact O-CB 3.27Å; A16-C19 PolarHBondContact O-N 3.2Å; H17-C19 VanDerWaalsContact C-N 3.29Å; H17-C19 PolarHBondContact O-N 3.36Å; C19-G27 VanDerWaalsContact O-CA 3.3Å; C19-G27 WeakPolarHBondContact O-CA 3.31Å; C19-R30 HydrophobicContact CB-CB 4.43Å; C19-R30 PolarHBondContact SG-NE 2.86Å; C19-I31 HydrophobicContact CB-CD1 4.12Å; C19-I31 HydrophobicContact CB-CG1 3.72Å
20F91Very high89.8Confident21 Ų2153.8 Ų53.89%0.09227%0.274CS..Hα-helixtrans-79.1-41.3-179.6-170.4-107.6000111.4A16 H17 K18 E22 E23 I31 Y58 P59 V60 V97 W106A16-F20 PolarHBondContact O-N 3.49Å; H17-F20 PolarHBondContact O-N 3.27Å; H17-F20 VanDerWaalsContact O-N 3.12Å; K18-F20 VanDerWaalsContact C-N 3.32Å; K18-F20 PolarHBondContact O-N 3.2Å; F20-E22 PolarHBondContact O-N 3.49Å; F20-E22 VanDerWaalsContact O-N 3.11Å; F20-E23 PolarHBondContact O-N 2.96Å; F20-I31 HydrophobicContact CB-CD1 3.71Å; F20-I31 HydrophobicContact CD2-CD1 3.83Å; F20-I31 HydrophobicContact CG-CD1 4.27Å; F20-Y58 HydrophobicContact CD1-CD1 4.32Å; F20-P59 HydrophobicContact CE1-CG 4.32Å; F20-P59 HydrophobicContact CZ-CG 4.28Å; F20-V60 HydrophobicContact CB-CB 4.46Å; F20-V60 HydrophobicContact CD1-CG2 4.35Å; F20-V60 HydrophobicContact CD2-CB 4.01Å; F20-V60 HydrophobicContact CD2-CG2 3.24Å; F20-V60 HydrophobicContact CE1-CG2 4.38Å; F20-V60 HydrophobicContact CE2-CB 4.34Å; F20-V60 HydrophobicContact CE2-CG2 3.26Å; F20-V60 HydrophobicContact CG-CB 4.07Å; F20-V60 HydrophobicContact CG-CG2 3.8Å; F20-V60 HydrophobicContact CZ-CG2 3.87Å; F20-V97 HydrophobicContact CE2-CG2 4.34Å; F20-V97 HydrophobicContact CZ-CG1 4.48Å; F20-V97 HydrophobicContact CZ-CG2 3.87Å; F20-W106 AromaticContact CD2-CH2 3.84Å; F20-W106 HydrophobicContact CD2-CH2 3.84Å; F20-W106 AromaticContact CD2-CZ3 3.86Å; F20-W106 HydrophobicContact CD2-CZ3 3.86Å; F20-W106 HydrophobicContact CE1-CH2 4.5Å; F20-W106 AromaticContact CE2-CH2 3.36Å; F20-W106 HydrophobicContact CE2-CH2 3.36Å; F20-W106 AromaticContact CE2-CZ3 3.71Å; F20-W106 HydrophobicContact CE2-CZ3 3.71Å; F20-W106 AromaticContact CZ-CH2 3.75Å; F20-W106 HydrophobicContact CZ-CH2 3.75Å
21A90.5Very high90.4Very high58 Ų5848.3 Ų48.348%0.47925%0.245SC..Hα-helixtrans-62.5-15.5176.900000114H17 E23H17-A21 WeakPolarHBondContact O-CB 3.31Å; H17-A21 PolarHBondContact O-N 3.16Å; A21-E23 VanDerWaalsContact C-N 3.28Å
22E92.3Very high91Very high91 Ų9148.1 Ų48.143%0.42524%0.239SC..THydrogen-bonded Turntrans-73.1-18172.6-76172.8-148.300113.8K18 F20 S24 R30K18-E22 WeakPolarHBondContact O-CG 3.44Å; F20-E22 PolarHBondContact O-N 3.49Å; F20-E22 VanDerWaalsContact O-N 3.11Å; E22-S24 PolarHBondContact O-N 3.34Å; E22-S24 PolarHBondContact OE2-OG 2.87Å; E22-R30 IonicContact OE1-CZ 3.5Å; E22-R30 IonicContact OE1-NH2 3.73Å; E22-R30 PolarHBondContact OE1-NH2 3.14Å; E22-R30 IonicContact OE2-CZ 2.87Å; E22-R30 IonicContact OE2-NH1 3.87Å; E22-R30 IonicContact OE2-NH2 2.94Å; E22-R30 PolarHBondContact OE2-NH2 3.28Å
23E92.5Very high91.4Very high118 Ų11853.1 Ų53.155%0.55126%0.26SS*.  trans46.136.5-178.5-61.7-175.9166.400112.8F20 A21 W106F20-E23 PolarHBondContact O-N 2.96Å; A21-E23 VanDerWaalsContact C-N 3.28Å; E23-W106 HydrophobicContact CB-CD2 4.33Å; E23-W106 HydrophobicContact CB-CZ2 4Å; E23-W106 HydrophobicContact CG-CH2 4.25Å; E23-W106 HydrophobicContact CG-CZ2 3.83Å; E23-W106 VanDerWaalsContact O-CG 3.24Å
24S94.4Very high91.7Very high32 Ų3252 Ų5222%0.22426%0.255CS..SBendtrans-121149.7-17382.10000110.7E22 S26 G27 A28E22-S24 PolarHBondContact O-N 3.34Å; E22-S24 PolarHBondContact OE2-OG 2.87Å; S24-S26 PolarHBondContact O-N 3.22Å; S24-S26 PolarHBondContact OG-OG 3.21Å; S24-G27 PolarHBondContact O-N 3.26Å; S24-G27 PolarHBondContact OG-N 3.19Å; S24-A28 PolarHBondContact O-N 3.42Å
25W94Very high92.1Very high124 Ų12447.8 Ų47.847%0.4723%0.232SC..Hα-helixtrans-55.6-36.8174-173.2-80000111.5A28 E29 L108 P109W25-A28 PolarHBondContact O-N 2.98Å; W25-E29 WeakPolarHBondContact O-CB 3.25Å; W25-E29 PolarHBondContact O-N 2.76Å; W25-L108 HydrophobicContact CH2-CB 4.34Å; W25-L108 HydrophobicContact CZ3-CB 4.1Å; W25-P109 HydrophobicContact CD2-CG 3.79Å; W25-P109 VanDerWaalsContact CE2-CG 3.49Å; W25-P109 HydrophobicContact CE3-CG 4.14Å; W25-P109 HydrophobicContact CG-CG 4.37Å; W25-P109 HydrophobicContact CH2-CG 3.97Å; W25-P109 HydrophobicContact CZ2-CG 3.6Å; W25-P109 HydrophobicContact CZ3-CG 4.22Å
26S94.7Very high92.4Very high63 Ų6347.8 Ų47.844%0.44123%0.233SC..Hα-helixtrans-65.8-38178.286.80000112.3S24 R30S24-S26 PolarHBondContact O-N 3.22Å; S24-S26 PolarHBondContact OG-OG 3.21Å; S26-R30 WeakPolarHBondContact O-CG 3.27Å; S26-R30 PolarHBondContact O-N 3.28Å; S26-R30 PolarHBondContact O-NH1 3.07Å; S26-R30 PolarHBondContact OG-NH1 3.46Å
27G94.5Very high92.5Very high0 Ų049.8 Ų49.80%024%0.243CC..Hα-helixtrans-67.7-47175.200000111.2C19 S24 E29 R30 I31C19-G27 VanDerWaalsContact O-CA 3.3Å; C19-G27 WeakPolarHBondContact O-CA 3.31Å; S24-G27 PolarHBondContact O-N 3.26Å; S24-G27 PolarHBondContact OG-N 3.19Å; G27-E29 VanDerWaalsContact C-N 3.35Å; G27-E29 PolarHBondContact O-N 2.97Å; G27-R30 WeakPolarHBondContact O-CA 3.38Å; G27-R30 WeakPolarHBondContact O-CB 2.9Å; G27-R30 PolarHBondContact O-N 3.4Å; G27-I31 WeakPolarHBondContact O-CG1 3.06Å; G27-I31 PolarHBondContact O-N 3.47Å
28A95.1Very high92.3Very high0 Ų053.3 Ų53.30%027%0.268CS..Hα-helixtrans-59.1-42.2174.800000112.9S24 W25 R30 I31 R32 W106 P109 V110S24-A28 PolarHBondContact O-N 3.42Å; W25-A28 PolarHBondContact O-N 2.98Å; A28-R30 PolarHBondContact O-N 3.46Å; A28-I31 PolarHBondContact O-N 3.48Å; A28-R32 WeakPolarHBondContact O-CB 3.31Å; A28-R32 PolarHBondContact O-N 3.44Å; A28-W106 HydrophobicContact CB-CE3 4.28Å; A28-W106 WeakPolarHBondContact CB-O 3.47Å; A28-P109 HydrophobicContact CB-CB 4.23Å; A28-P109 HydrophobicContact CB-CG 4.09Å; A28-V110 HydrophobicContact CB-CG2 4Å; A28-V110 WeakPolarHBondContact O-CG2 3.37Å
29E94.8Very high91.8Very high55 Ų5548.8 Ų48.826%0.25725%0.251SS..Hα-helixtrans-64.5-26175.8-178.854.5-153.500112.3W25 G27 R32W25-E29 WeakPolarHBondContact O-CB 3.25Å; W25-E29 PolarHBondContact O-N 2.76Å; G27-E29 VanDerWaalsContact C-N 3.35Å; G27-E29 PolarHBondContact O-N 2.97Å; E29-R32 WeakPolarHBondContact O-CB 3.42Å; E29-R32 IonicContact OE1-CZ 3.97Å; E29-R32 VanDerWaalsContact OE1-CZ 3.25Å; E29-R32 IonicContact OE1-NE 3.25Å; E29-R32 PolarHBondContact OE1-NE 3.19Å; E29-R32 IonicContact OE1-NH2 2.7Å; E29-R32 PolarHBondContact OE1-NH2 2.91Å; E29-R32 WeakPolarHBondContact OE2-CD 3.38Å; E29-R32 IonicContact OE2-CZ 3.8Å; E29-R32 IonicContact OE2-NE 3.91Å; E29-R32 PolarHBondContact OE2-NE 3.38Å
30R93.5Very high91Very high55 Ų5552.2 Ų52.221%0.20827%0.269CS..Hα-helixtrans-76.4-45.1172.5-68.7-171.1-53.7-87.310.2112.2I2 C19 E22 S26 G27 A28 R32 K33 L34I2-R30 HydrophobicContact CD1-CB 3.52Å; I2-R30 HydrophobicContact CD1-CG 3.75Å; I2-R30 VanDerWaalsContact CD1-O 3.28Å; I2-R30 WeakPolarHBondContact CD1-O 3.1Å; I2-R30 HydrophobicContact CG1-CB 3.88Å; I2-R30 HydrophobicContact CG1-CG 3.73Å; C19-R30 HydrophobicContact CB-CB 4.43Å; C19-R30 PolarHBondContact SG-NE 2.86Å; E22-R30 IonicContact OE1-CZ 3.5Å; E22-R30 IonicContact OE1-NH2 3.73Å; E22-R30 PolarHBondContact OE1-NH2 3.14Å; E22-R30 IonicContact OE2-CZ 2.87Å; E22-R30 IonicContact OE2-NH1 3.87Å; E22-R30 IonicContact OE2-NH2 2.94Å; E22-R30 PolarHBondContact OE2-NH2 3.28Å; S26-R30 WeakPolarHBondContact O-CG 3.27Å; S26-R30 PolarHBondContact O-N 3.28Å; S26-R30 PolarHBondContact O-NH1 3.07Å; S26-R30 PolarHBondContact OG-NH1 3.46Å; G27-R30 WeakPolarHBondContact O-CA 3.38Å; G27-R30 WeakPolarHBondContact O-CB 2.9Å; G27-R30 PolarHBondContact O-N 3.4Å; A28-R30 PolarHBondContact O-N 3.46Å; R30-R32 PolarHBondContact O-N 3.39Å; R30-K33 WeakPolarHBondContact O-CB 3.48Å; R30-K33 PolarHBondContact O-N 3.2Å; R30-L34 PolarHBondContact O-N 2.9Å
31I93.8Very high90Very high0 Ų052 Ų520%027%0.27CS..Hα-helixtrans-59.1-39.9174-62163.4000110.4C19 F20 G27 A28 K33 L34 L35 V60 V110C19-I31 HydrophobicContact CB-CD1 4.12Å; C19-I31 HydrophobicContact CB-CG1 3.72Å; F20-I31 HydrophobicContact CB-CD1 3.71Å; F20-I31 HydrophobicContact CD2-CD1 3.83Å; F20-I31 HydrophobicContact CG-CD1 4.27Å; G27-I31 WeakPolarHBondContact O-CG1 3.06Å; G27-I31 PolarHBondContact O-N 3.47Å; A28-I31 PolarHBondContact O-N 3.48Å; I31-K33 PolarHBondContact O-N 2.88Å; I31-K33 VanDerWaalsContact O-N 3.17Å; I31-L34 WeakPolarHBondContact O-CA 3.48Å; I31-L34 WeakPolarHBondContact O-CB 3.35Å; I31-L34 PolarHBondContact O-N 3.23Å; I31-L35 HydrophobicContact CG2-CD1 3.96Å; I31-L35 HydrophobicContact CG2-CG 4.48Å; I31-L35 PolarHBondContact O-N 2.94Å; I31-V60 HydrophobicContact CD1-CG1 4.3Å; I31-V60 HydrophobicContact CG2-CG1 3.85Å; I31-V110 HydrophobicContact CB-CG2 3.77Å; I31-V110 HydrophobicContact CD1-CG2 4.45Å; I31-V110 HydrophobicContact CG2-CG1 4.3Å; I31-V110 HydrophobicContact CG2-CG2 3.73Å
32R94.2Very high89.1Confident67 Ų6755.8 Ų55.825%0.25328%0.278SS..Hα-helixtrans-50.2-41.7174.1-164.1-168.163.672.8-1.2112.3A28 E29 R30 L35 S36 P109 Q113A28-R32 WeakPolarHBondContact O-CB 3.31Å; A28-R32 PolarHBondContact O-N 3.44Å; E29-R32 WeakPolarHBondContact O-CB 3.42Å; E29-R32 IonicContact OE1-CZ 3.97Å; E29-R32 VanDerWaalsContact OE1-CZ 3.25Å; E29-R32 IonicContact OE1-NE 3.25Å; E29-R32 PolarHBondContact OE1-NE 3.19Å; E29-R32 IonicContact OE1-NH2 2.7Å; E29-R32 PolarHBondContact OE1-NH2 2.91Å; E29-R32 WeakPolarHBondContact OE2-CD 3.38Å; E29-R32 IonicContact OE2-CZ 3.8Å; E29-R32 IonicContact OE2-NE 3.91Å; E29-R32 PolarHBondContact OE2-NE 3.38Å; R30-R32 PolarHBondContact O-N 3.39Å; R32-L35 PolarHBondContact O-N 3.26Å; R32-S36 PolarHBondContact O-N 3.37Å; R32-P109 HydrophobicContact CB-CB 4.41Å; R32-P109 WeakPolarHBondContact CD-O 3.29Å; R32-P109 VanDerWaalsContact CG-O 3.31Å; R32-P109 WeakPolarHBondContact CG-O 3.42Å; R32-Q113 HydrophobicContact CG-CB 3.45Å; R32-Q113 VanDerWaalsContact CG-CB 3.45Å; R32-Q113 HydrophobicContact CG-CG 3.97Å; R32-Q113 WeakPolarHBondContact O-CG 3.37Å
33K92.2Very high88.2Confident106 Ų10653.3 Ų53.346%0.46127%0.265SS..Hα-helixtrans-71-33.3178.3-67.5171.6-178.2175.50112.2I2 R30 I31 L35 S36 V39I2-K33 HydrophobicContact CD1-CB 3.77Å; I2-K33 HydrophobicContact CD1-CD 3.72Å; I2-K33 HydrophobicContact CD1-CG 4.31Å; R30-K33 WeakPolarHBondContact O-CB 3.48Å; R30-K33 PolarHBondContact O-N 3.2Å; I31-K33 PolarHBondContact O-N 2.88Å; I31-K33 VanDerWaalsContact O-N 3.17Å; K33-L35 VanDerWaalsContact C-N 3.27Å; K33-S36 WeakPolarHBondContact O-CB 3.34Å; K33-S36 PolarHBondContact O-N 3.13Å; K33-V39 WeakPolarHBondContact O-CG2 3.43Å
34L90.9Very high87Confident5 Ų547.9 Ų47.93%0.02624%0.24CC..Hα-helixtrans-69.2-26.2174.2-56.4-179.5000112.7I2 F6 F12 A16 R30 I31 S36 L64I2-L34 HydrophobicContact CG2-CD2 3.88Å; F6-L34 HydrophobicContact CE2-CD2 3.88Å; F6-L34 HydrophobicContact CZ-CD2 3.69Å; F12-L34 HydrophobicContact CD2-CD2 4.21Å; F12-L34 HydrophobicContact CE2-CB 3.93Å; F12-L34 HydrophobicContact CE2-CD1 4.41Å; F12-L34 HydrophobicContact CE2-CD2 3.71Å; F12-L34 HydrophobicContact CE2-CG 4.21Å; F12-L34 HydrophobicContact CZ-CB 3.88Å; F12-L34 HydrophobicContact CZ-CD2 4.49Å; A16-L34 HydrophobicContact CB-CD1 3.82Å; R30-L34 PolarHBondContact O-N 2.9Å; I31-L34 WeakPolarHBondContact O-CA 3.48Å; I31-L34 WeakPolarHBondContact O-CB 3.35Å; I31-L34 PolarHBondContact O-N 3.23Å; L34-S36 VanDerWaalsContact C-N 3.31Å; L34-L64 HydrophobicContact CB-CD2 4.07Å
35L93Very high85.7Confident1 Ų154.9 Ų54.91%0.00527%0.267CS..THydrogen-bonded Turntrans-88.59.7174.2-71.5165.9000113.3I31 R32 K33 L64 H67 V110 Q113 M114 N117I31-L35 HydrophobicContact CG2-CD1 3.96Å; I31-L35 HydrophobicContact CG2-CG 4.48Å; I31-L35 PolarHBondContact O-N 2.94Å; R32-L35 PolarHBondContact O-N 3.26Å; K33-L35 VanDerWaalsContact C-N 3.27Å; L35-L64 HydrophobicContact CD2-CD2 3.64Å; L35-L64 HydrophobicContact CD2-CG 4.44Å; L35-L64 HydrophobicContact CG-CD2 3.84Å; L35-H67 VanDerWaalsContact C-NE2 3.29Å; L35-H67 HydrophobicContact CD2-CB 3.78Å; L35-H67 PolarHBondContact O-CE1 2.91Å; L35-H67 PolarHBondContact O-NE2 3.44Å; L35-V110 HydrophobicContact CD1-CG1 3.65Å; L35-Q113 HydrophobicContact CB-CG 3.75Å; L35-Q113 WeakPolarHBondContact O-CG 3.46Å; L35-M114 HydrophobicContact CD1-CE 3.75Å; L35-M114 HydrophobicContact CD1-CG 4.15Å; L35-M114 HydrophobicContact CD2-CE 4.44Å; L35-N117 PolarHBondContact O-ND2 3.36Å; L35-N117 PolarHBondContact O-OD1 2.99Å
36S92.6Very high84.3Confident25 Ų2558.4 Ų58.418%0.17529%0.285CS..  trans-76.7137.6-179.4-1680000111.4R32 K33 L34 T38 V39R32-S36 PolarHBondContact O-N 3.37Å; K33-S36 WeakPolarHBondContact O-CB 3.34Å; K33-S36 PolarHBondContact O-N 3.13Å; L34-S36 VanDerWaalsContact C-N 3.31Å; S36-T38 PolarHBondContact O-N 3.01Å; S36-T38 PolarHBondContact OG-OG1 3.33Å; S36-V39 WeakPolarHBondContact O-CB 3.44Å; S36-V39 VanDerWaalsContact O-CG2 3.27Å; S36-V39 WeakPolarHBondContact O-CG2 3.46Å; S36-V39 PolarHBondContact O-N 2.93Å
37M89Confident82.8Confident42 Ų4256.1 Ų56.121%0.20727%0.267CS..THydrogen-bonded Turntrans-57.8-15174-71.3-66.4175.300114.5L71 L74 E86 N117 Y120 V121M37-L71 HydrophobicContact SD-CD2 3.61Å; M37-L74 HydrophobicContact CE-CD1 4.43Å; M37-L74 HydrophobicContact SD-CD1 3.85Å; M37-E86 HydrophobicContact CE-CG 4.49Å; M37-N117 HydrophobicContact CE-CB 3.45Å; M37-N117 VanDerWaalsContact CE-CB 3.45Å; M37-Y120 HydrophobicContact CE-CD1 4.1Å; M37-Y120 HydrophobicContact CG-CD1 3.92Å; M37-Y120 HydrophobicContact CG-CE1 4.34Å; M37-Y120 HydrophobicContact CG-CG 4.49Å; M37-Y120 HydrophobicContact SD-CD1 4.02Å; M37-Y120 HydrophobicContact SD-CE1 4.31Å; M37-V121 HydrophobicContact CE-CG2 3.4Å; M37-V121 VanDerWaalsContact CE-CG2 3.4Å
38T83.9Confident81.2Confident124 Ų12461.9 Ų61.976%0.76129%0.294SS*.THydrogen-bonded Turntrans-98.34179.659.80000113.5S36 N40S36-T38 PolarHBondContact O-N 3.01Å; S36-T38 PolarHBondContact OG-OG1 3.33Å; T38-N40 PolarHBondContact O-N 3.46Å
39V79.8Confident79.4Confident32 Ų3264.1 Ų64.119%0.19431%0.309CS..  trans-60.3131178.3169.40000110.4K33 S36 C41K33-V39 WeakPolarHBondContact O-CG2 3.43Å; S36-V39 WeakPolarHBondContact O-CB 3.44Å; S36-V39 VanDerWaalsContact O-CG2 3.27Å; S36-V39 WeakPolarHBondContact O-CG2 3.46Å; S36-V39 PolarHBondContact O-N 2.93Å; V39-C41 PolarHBondContact O-N 3.25Å; V39-C41 PolarHBondContact O-SG 3.33Å
40N74.5Confident77.5Confident78 Ų7865.9 Ų65.942%0.41732%0.323SS..  trans-69103176.5-178.2-11.6000110.2T38 Q42 F43T38-N40 PolarHBondContact O-N 3.46Å; N40-Q42 VanDerWaalsContact C-N 3.33Å; N40-Q42 PolarHBondContact ND2-OE1 2.82Å; N40-Q42 PolarHBondContact O-N 3.27Å; N40-Q42 WeakPolarHBondContact OD1-CB 3.3Å; N40-Q42 WeakPolarHBondContact OD1-CG 3.38Å; N40-Q42 PolarHBondContact OD1-N 3.47Å; N40-F43 VanDerWaalsContact O-CD1 3.26Å; N40-F43 WeakPolarHBondContact O-CD1 3.4Å; N40-F43 WeakPolarHBondContact O-CE1 3.29Å
41C69.7Low75.7Confident17 Ų1767.6 Ų67.612%0.11534%0.336CS..  trans-88.415.3-178.8-66.60000114.5V39 F43 L44 L71V39-C41 PolarHBondContact O-N 3.25Å; V39-C41 PolarHBondContact O-SG 3.33Å; C41-F43 PolarHBondContact O-N 3.43Å; C41-L44 HydrophobicContact CB-CB 4.4Å; C41-L44 HydrophobicContact CB-CD1 3.75Å; C41-L44 HydrophobicContact CB-CG 4.41Å; C41-L44 VanDerWaalsContact O-CB 3.31Å; C41-L44 WeakPolarHBondContact O-CB 3.26Å; C41-L44 PolarHBondContact O-N 2.91Å; C41-L71 WeakPolarHBondContact SG-CD1 3.39Å
42Q72.6Confident73.8Confident137 Ų13769 Ų6964%0.6434%0.344SS*.G310 helixtrans-59.6-32.2-177-76.9171.9-6.500113.2N40 L44 K45N40-Q42 VanDerWaalsContact C-N 3.33Å; N40-Q42 PolarHBondContact ND2-OE1 2.82Å; N40-Q42 PolarHBondContact O-N 3.27Å; N40-Q42 WeakPolarHBondContact OD1-CB 3.3Å; N40-Q42 WeakPolarHBondContact OD1-CG 3.38Å; N40-Q42 PolarHBondContact OD1-N 3.47Å; Q42-L44 PolarHBondContact O-N 3.36Å; Q42-K45 WeakPolarHBondContact O-CG 3.45Å
43F72.4Confident71.8Confident39 Ų3973 Ų7317%0.17137%0.37CS..G310 helixtrans-68.9-18.617666.2-88000113F6 F12 N40 C41F6-F43 HydrophobicContact CB-CD1 4.14Å; F6-F43 HydrophobicContact CB-CD2 4.03Å; F6-F43 HydrophobicContact CB-CE1 4.14Å; F6-F43 HydrophobicContact CB-CE2 4.02Å; F6-F43 HydrophobicContact CB-CG 4.11Å; F6-F43 HydrophobicContact CB-CZ 4.1Å; F6-F43 AromaticContact CD2-CE1 3.95Å; F6-F43 HydrophobicContact CD2-CE1 3.95Å; F6-F43 AromaticContact CD2-CZ 3.97Å; F6-F43 HydrophobicContact CD2-CZ 3.97Å; F6-F43 HydrophobicContact CG-CE1 4.47Å; F6-F43 HydrophobicContact CG-CZ 4.31Å; F6-F43 WeakPolarHBondContact O-CB 3.11Å; F12-F43 HydrophobicContact CB-CE2 3.7Å; F12-F43 HydrophobicContact CB-CZ 4.11Å; F12-F43 HydrophobicContact CD2-CE2 4.03Å; F12-F43 AromaticContact CD2-CZ 3.55Å; F12-F43 HydrophobicContact CD2-CZ 3.55Å; F12-F43 HydrophobicContact CE2-CZ 4.05Å; F12-F43 AromaticContact CG-CE2 3.88Å; F12-F43 HydrophobicContact CG-CE2 3.88Å; F12-F43 AromaticContact CG-CZ 3.88Å; F12-F43 HydrophobicContact CG-CZ 3.88Å; N40-F43 VanDerWaalsContact O-CD1 3.26Å; N40-F43 WeakPolarHBondContact O-CD1 3.4Å; N40-F43 WeakPolarHBondContact O-CE1 3.29Å; C41-F43 PolarHBondContact O-N 3.43Å
44L67Low69.9Low4 Ų471.4 Ų71.42%0.02138%0.377CS..G310 helixtrans-89.31.5-175.8-59.4171.2000114Y9 C41 Q42 K46 F47 I68 Q72Y9-L44 HydrophobicContact CD2-CD2 3.52Å; Y9-L44 HydrophobicContact CE2-CD2 4.25Å; Y9-L44 HydrophobicContact CG-CD2 4.45Å; C41-L44 HydrophobicContact CB-CB 4.4Å; C41-L44 HydrophobicContact CB-CD1 3.75Å; C41-L44 HydrophobicContact CB-CG 4.41Å; C41-L44 VanDerWaalsContact O-CB 3.31Å; C41-L44 WeakPolarHBondContact O-CB 3.26Å; C41-L44 PolarHBondContact O-N 2.91Å; Q42-L44 PolarHBondContact O-N 3.36Å; L44-K46 PolarHBondContact O-N 3.48Å; L44-F47 HydrophobicContact CB-CB 4.42Å; L44-F47 HydrophobicContact CD2-CB 4.32Å; L44-F47 WeakPolarHBondContact O-CB 3.4Å; L44-F47 PolarHBondContact O-N 3.15Å; L44-I68 HydrophobicContact CB-CG2 4.33Å; L44-I68 HydrophobicContact CD1-CB 4.14Å; L44-I68 HydrophobicContact CD1-CD1 3.64Å; L44-I68 HydrophobicContact CD1-CG1 3.52Å; L44-I68 HydrophobicContact CD1-CG2 3.66Å; L44-I68 HydrophobicContact CD2-CD1 3.72Å; L44-I68 HydrophobicContact CD2-CG1 4.46Å; L44-I68 HydrophobicContact CD2-CG2 4.27Å; L44-I68 HydrophobicContact CG-CD1 4.35Å; L44-I68 HydrophobicContact CG-CG2 4.32Å; L44-Q72 PolarHBondContact O-NE2 3.07Å
45K67.2Low68Low179 Ų17973.4 Ų73.478%0.77839%0.394SS*.G310 helixtrans-57.1-19.7176.4-72-177.5178.7-176.80113.2Q42Q42-K45 WeakPolarHBondContact O-CG 3.45Å
46K64.9Low66.2Low197 Ų19781.4 Ų81.486%0.85744%0.437SS*.G310 helixtrans-101.4-3.4178.2-61.2-175.9179.8-178.90114.3L44L44-K46 PolarHBondContact O-N 3.48Å
47F64.4Low65Low16 Ų1686.3 Ų86.37%0.0746%0.461CS..  trans-72133.9-178.1176-110000110.9Y9 L44 D51 C65 I68Y9-F47 AromaticContact CD1-CD2 3.72Å; Y9-F47 HydrophobicContact CD1-CD2 3.72Å; Y9-F47 AromaticContact CD1-CE2 3.96Å; Y9-F47 HydrophobicContact CD1-CE2 3.96Å; Y9-F47 AromaticContact CD2-CD2 3.67Å; Y9-F47 HydrophobicContact CD2-CD2 3.67Å; Y9-F47 HydrophobicContact CD2-CE2 4.17Å; Y9-F47 HydrophobicContact CD2-CG 4.21Å; Y9-F47 AromaticContact CE1-CD2 3.57Å; Y9-F47 HydrophobicContact CE1-CD2 3.57Å; Y9-F47 AromaticContact CE1-CE2 3.3Å; Y9-F47 HydrophobicContact CE1-CE2 3.3Å; Y9-F47 HydrophobicContact CE1-CZ 4.37Å; Y9-F47 AromaticContact CE2-CD2 3.53Å; Y9-F47 HydrophobicContact CE2-CD2 3.53Å; Y9-F47 AromaticContact CE2-CE2 3.56Å; Y9-F47 HydrophobicContact CE2-CE2 3.56Å; Y9-F47 HydrophobicContact CE2-CG 4.15Å; Y9-F47 HydrophobicContact CE2-CZ 4.16Å; Y9-F47 AromaticContact CG-CD2 3.74Å; Y9-F47 HydrophobicContact CG-CD2 3.74Å; Y9-F47 HydrophobicContact CG-CE2 4.32Å; Y9-F47 AromaticContact CZ-CD2 3.45Å; Y9-F47 VanDerWaalsContact CZ-CD2 3.45Å; Y9-F47 AromaticContact CZ-CE2 3.05Å; Y9-F47 AromaticContact CZ-CZ 3.77Å; Y9-F47 WeakPolarHBondContact OH-CE2 3.34Å; Y9-F47 WeakPolarHBondContact OH-CZ 3.39Å; L44-F47 HydrophobicContact CB-CB 4.42Å; L44-F47 HydrophobicContact CD2-CB 4.32Å; L44-F47 WeakPolarHBondContact O-CB 3.4Å; L44-F47 PolarHBondContact O-N 3.15Å; F47-D51 HydrophobicContact CE2-CB 4.18Å; F47-C65 HydrophobicContact CZ-CB 4.12Å; F47-I68 HydrophobicContact CD1-CG2 3.64Å; F47-I68 HydrophobicContact CE1-CG2 4.07Å; F47-I68 HydrophobicContact CG-CG2 4.39Å
48H59.5Low64.6Low121 Ų12187.7 Ų87.756%0.5646%0.464SS*.  trans-117.8135.3174.3-153.453.4000110T50 D51H48-T50 PolarHBondContact CD2-OG1 3.23Å; H48-T50 PolarHBondContact O-N 3.42Å; H48-D51 PolarHBondContact O-N 2.84Å
49P57.3Low64.7Low47 Ų4782.6 Ų82.631%0.30543%0.434SS..G310 helixtrans-59-14.1-178.2-22.331.8000114.4D51 L52P49-D51 PolarHBondContact O-N 2.9Å; P49-L52 HydrophobicContact CB-CD1 4.16Å; P49-L52 WeakPolarHBondContact O-CB 3.21Å; P49-L52 WeakPolarHBondContact O-CD1 3.16Å; P49-L52 WeakPolarHBondContact O-CG 3.34Å; P49-L52 PolarHBondContact O-N 3.49Å
50T54.5Low65.1Low91 Ų9181.1 Ų81.156%0.55843%0.425SS*.G310 helixtrans-68.2-15.8-177.5-27.40000113.3H48 L52H48-T50 PolarHBondContact CD2-OG1 3.23Å; H48-T50 PolarHBondContact O-N 3.42Å; T50-L52 PolarHBondContact O-N 3.16Å
51D55.7Low65.7Low92 Ų9278.2 Ų78.249%0.49241%0.409SS..G310 helixtrans-74.8-1.7177.2-58.7-30.2000113.2F47 H48 P49 N53 A54F47-D51 HydrophobicContact CE2-CB 4.18Å; H48-D51 PolarHBondContact O-N 2.84Å; P49-D51 PolarHBondContact O-N 2.9Å; D51-N53 PolarHBondContact O-N 2.95Å; D51-A54 PolarHBondContact O-N 3.44Å
52L54.4Low66.5Low29 Ų2981.6 Ų81.615%0.15242%0.419CS..G310 helixtrans-59.7-11.7178.9-81.6175.5000114.8P49 T50 A54 R62 C65P49-L52 HydrophobicContact CB-CD1 4.16Å; P49-L52 WeakPolarHBondContact O-CB 3.21Å; P49-L52 WeakPolarHBondContact O-CD1 3.16Å; P49-L52 WeakPolarHBondContact O-CG 3.34Å; P49-L52 PolarHBondContact O-N 3.49Å; T50-L52 PolarHBondContact O-N 3.16Å; L52-A54 VanDerWaalsContact C-N 3.26Å; L52-A54 PolarHBondContact O-N 2.7Å; L52-R62 PolarHBondContact O-NH1 2.93Å; L52-C65 HydrophobicContact CD2-CB 3.19Å; L52-C65 HydrophobicContact CG-CB 4.35Å
53N53.2Low67.5Low151 Ų15175 Ų7581%0.80739%0.389SS*.G310 helixtrans-78.7-2.7179.9-68.8-18.9000114.1D51 A55D51-N53 PolarHBondContact O-N 2.95Å; N53-A55 PolarHBondContact O-N 3.16Å
54A51.4Low68.3Low72 Ų7273.2 Ų73.260%0.59538%0.381SS*.SBendtrans-80.810817800000111.6D51 L52D51-A54 PolarHBondContact O-N 3.44Å; L52-A54 VanDerWaalsContact C-N 3.26Å; L52-A54 PolarHBondContact O-N 2.7Å
55A50.9Low69.3Low47 Ų4773.3 Ų73.339%0.38838%0.382SS..  trans71.199.8158.700000118.3N53 D57 Y58N53-A55 PolarHBondContact O-N 3.16Å; A55-D57 HydrophobicContact CB-CB 4.42Å; A55-D57 PolarHBondContact O-N 3.06Å; A55-D57 VanDerWaalsContact O-N 3.11Å; A55-Y58 HydrophobicContact CB-CD2 4.43Å; A55-Y58 PolarHBondContact O-N 2.97Å
56D56.3Low70.4Confident169 Ų16965.2 Ų65.290%0.90435%0.347SS*.THydrogen-bonded Turntrans-54.8-17.8157.8-76.3-38.7000112.8Y58D56-Y58 PolarHBondContact O-N 2.93Å
57D67Low71.8Confident129 Ų12955.9 Ų55.969%0.6931%0.306SS*.THydrogen-bonded Turntrans-70.5-28.4-176.9-64.9-27.8000113.6A55 P59A55-D57 HydrophobicContact CB-CB 4.42Å; A55-D57 PolarHBondContact O-N 3.06Å; A55-D57 VanDerWaalsContact O-N 3.11Å; D57-P59 WeakPolarHBondContact O-CD 3.45Å
58Y79.4Confident73Confident71 Ų7155.2 Ų55.228%0.27830%0.304SS..  trans-125.785.8-171.8-64.7-83.8000111.7H17 F20 A55 D56 V60 D61H17-Y58 AromaticContact CE1-CD1 3.65Å; H17-Y58 AromaticContact CE1-CD2 3.3Å; H17-Y58 WeakPolarHBondContact CE1-CD2 3.48Å; H17-Y58 AromaticContact CE1-CE1 3.38Å; H17-Y58 WeakPolarHBondContact CE1-CE1 3.44Å; H17-Y58 AromaticContact CE1-CE2 3.04Å; H17-Y58 WeakPolarHBondContact CE1-CE2 3.13Å; H17-Y58 AromaticContact CE1-CG 3.6Å; H17-Y58 AromaticContact CE1-CZ 3.06Å; H17-Y58 AromaticContact ND1-CD1 3.67Å; H17-Y58 AromaticContact ND1-CD2 3.61Å; H17-Y58 AromaticContact ND1-CE1 3.86Å; H17-Y58 AromaticContact ND1-CE2 3.84Å; H17-Y58 AromaticContact ND1-CG 3.54Å; H17-Y58 AromaticContact ND1-CZ 3.93Å; H17-Y58 AromaticContact NE2-CE1 3.49Å; H17-Y58 WeakPolarHBondContact NE2-CE1 3.3Å; H17-Y58 AromaticContact NE2-CE2 3.76Å; H17-Y58 AromaticContact NE2-CZ 3.28Å; H17-Y58 VanDerWaalsContact NE2-CZ 3.28Å; H17-Y58 PolarHBondContact NE2-OH 3.24Å; F20-Y58 HydrophobicContact CD1-CD1 4.32Å; A55-Y58 HydrophobicContact CB-CD2 4.43Å; A55-Y58 PolarHBondContact O-N 2.97Å; D56-Y58 PolarHBondContact O-N 2.93Å; Y58-V60 PolarHBondContact O-N 3.36Å; Y58-D61 WeakPolarHBondContact CB-OD2 3.48Å; Y58-D61 WeakPolarHBondContact O-CB 3.49Å; Y58-D61 PolarHBondContact O-N 2.8Å
59P86.3Confident74.4Confident17 Ų1749.6 Ų49.611%0.1128%0.278CS..Hα-helixtrans-58.6-26.3-176.723.3-34.8000113.3F20 D57 C63 I92 N96 V97F20-P59 HydrophobicContact CE1-CG 4.32Å; F20-P59 HydrophobicContact CZ-CG 4.28Å; D57-P59 WeakPolarHBondContact O-CD 3.45Å; P59-C63 PolarHBondContact O-N 3.32Å; P59-C63 PolarHBondContact O-SG 2.83Å; P59-I92 HydrophobicContact CB-CG2 4.27Å; P59-N96 HydrophobicContact CB-CB 3.53Å; P59-N96 HydrophobicContact CG-CB 3.85Å; P59-V97 HydrophobicContact CB-CG2 4.33Å; P59-V97 HydrophobicContact CG-CG2 3.71Å
60V88.2Confident76.2Confident1 Ų147.4 Ų47.41%0.00626%0.263CS..Hα-helixtrans-68-34.7176.8167.20000112.8F20 I31 Y58 R62 C63 L64 F93F20-V60 HydrophobicContact CB-CB 4.46Å; F20-V60 HydrophobicContact CD1-CG2 4.35Å; F20-V60 HydrophobicContact CD2-CB 4.01Å; F20-V60 HydrophobicContact CD2-CG2 3.24Å; F20-V60 HydrophobicContact CE1-CG2 4.38Å; F20-V60 HydrophobicContact CE2-CB 4.34Å; F20-V60 HydrophobicContact CE2-CG2 3.26Å; F20-V60 HydrophobicContact CG-CB 4.07Å; F20-V60 HydrophobicContact CG-CG2 3.8Å; F20-V60 HydrophobicContact CZ-CG2 3.87Å; I31-V60 HydrophobicContact CD1-CG1 4.3Å; I31-V60 HydrophobicContact CG2-CG1 3.85Å; Y58-V60 PolarHBondContact O-N 3.36Å; V60-R62 VanDerWaalsContact C-N 3.34Å; V60-R62 PolarHBondContact O-N 2.91Å; V60-C63 WeakPolarHBondContact O-CB 3.3Å; V60-C63 PolarHBondContact O-N 3.45Å; V60-L64 HydrophobicContact CG1-CD1 3.92Å; V60-L64 HydrophobicContact CG1-CG 4.28Å; V60-L64 WeakPolarHBondContact O-CB 3.44Å; V60-L64 WeakPolarHBondContact O-CG 3.48Å; V60-L64 PolarHBondContact O-N 2.83Å; V60-F93 HydrophobicContact CG2-CD2 4.39Å; V60-F93 HydrophobicContact CG2-CE2 4.16Å
61D87.7Confident77.9Confident17 Ų1743.6 Ų43.69%0.09124%0.24CC..Hα-helixtrans-62.7-48.9179-65.8-6.6000108.6L13 H17 Y58 C63 L64 C65L13-D61 HydrophobicContact CD2-CB 4.36Å; H17-D61 IonicContact ND1-OD2 3.98Å; Y58-D61 WeakPolarHBondContact CB-OD2 3.48Å; Y58-D61 WeakPolarHBondContact O-CB 3.49Å; Y58-D61 PolarHBondContact O-N 2.8Å; D61-C63 VanDerWaalsContact C-N 3.33Å; D61-C63 PolarHBondContact O-N 2.98Å; D61-L64 WeakPolarHBondContact O-CB 3.49Å; D61-L64 PolarHBondContact O-N 3.38Å; D61-L64 VanDerWaalsContact O-N 3.08Å; D61-C65 PolarHBondContact O-N 3.31Å; D61-C65 PolarHBondContact O-SG 3.26Å
62R87.4Confident79.5Confident87 Ų8741 Ų4133%0.32823%0.225SC..Hα-helixtrans-58.1-42.9174.7-172.666.1-173.8-1439.4113L52 V60 L64 C65 L66 I92L52-R62 PolarHBondContact O-NH1 2.93Å; V60-R62 VanDerWaalsContact C-N 3.34Å; V60-R62 PolarHBondContact O-N 2.91Å; R62-L64 VanDerWaalsContact C-N 3.33Å; R62-L64 PolarHBondContact O-N 3.35Å; R62-C65 PolarHBondContact O-N 3.04Å; R62-L66 HydrophobicContact CG-CD1 4.47Å; R62-L66 WeakPolarHBondContact O-CG 3.49Å; R62-L66 PolarHBondContact O-N 3.33Å; R62-L66 VanDerWaalsContact O-N 3.09Å; R62-I92 HydrophobicContact CG-CD1 3.67Å
63C92.4Very high81.4Confident0 Ų039.9 Ų39.90%022%0.219CC..Hα-helixtrans-61.1-41.1175.7-73.60000112P59 V60 D61 L66 H67 C89 M114P59-C63 PolarHBondContact O-N 3.32Å; P59-C63 PolarHBondContact O-SG 2.83Å; V60-C63 WeakPolarHBondContact O-CB 3.3Å; V60-C63 PolarHBondContact O-N 3.45Å; D61-C63 VanDerWaalsContact C-N 3.33Å; D61-C63 PolarHBondContact O-N 2.98Å; C63-L66 PolarHBondContact O-N 3.06Å; C63-H67 WeakPolarHBondContact O-CB 3.35Å; C63-H67 PolarHBondContact O-N 2.97Å; C63-C89 WeakPolarHBondContact CB-SG 3.47Å; C63-C89 PolarHBondContact O-SG 3.06Å; C63-C89 VanDerWaalsContact O-SG 3.35Å; C63-C89 PolarHBondContact SG-O 3.03Å; C63-C89 VanDerWaalsContact SG-O 3.33Å; C63-M114 HydrophobicContact CB-CE 3.67Å
64L90Very high83.2Confident0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-67.3-40.4177.3-76.2169.8000112.3F12 L13 A16 L34 L35 V60 D61 R62 L66 H67 I68F12-L64 HydrophobicContact CE1-CB 4.1Å; F12-L64 HydrophobicContact CE1-CD1 4.11Å; F12-L64 HydrophobicContact CE1-CD2 3.95Å; F12-L64 HydrophobicContact CE1-CG 4.3Å; F12-L64 HydrophobicContact CZ-CD2 3.91Å; L13-L64 HydrophobicContact CD2-CB 4.31Å; A16-L64 HydrophobicContact CB-CD1 3.08Å; L34-L64 HydrophobicContact CB-CD2 4.07Å; L35-L64 HydrophobicContact CD2-CD2 3.64Å; L35-L64 HydrophobicContact CD2-CG 4.44Å; L35-L64 HydrophobicContact CG-CD2 3.84Å; V60-L64 HydrophobicContact CG1-CD1 3.92Å; V60-L64 HydrophobicContact CG1-CG 4.28Å; V60-L64 WeakPolarHBondContact O-CB 3.44Å; V60-L64 WeakPolarHBondContact O-CG 3.48Å; V60-L64 PolarHBondContact O-N 2.83Å; D61-L64 WeakPolarHBondContact O-CB 3.49Å; D61-L64 PolarHBondContact O-N 3.38Å; D61-L64 VanDerWaalsContact O-N 3.08Å; R62-L64 VanDerWaalsContact C-N 3.33Å; R62-L64 PolarHBondContact O-N 3.35Å; L64-L66 VanDerWaalsContact C-N 3.31Å; L64-L66 PolarHBondContact O-N 3.01Å; L64-H67 PolarHBondContact O-N 3.13Å; L64-I68 WeakPolarHBondContact O-CB 3.48Å; L64-I68 VanDerWaalsContact O-CG1 3.25Å; L64-I68 WeakPolarHBondContact O-CG1 3.42Å; L64-I68 PolarHBondContact O-N 2.86Å
65C87.2Confident85.1Confident6 Ų637.3 Ų37.34%0.04119%0.191CC..Hα-helixtrans-57.1-47.4172.8-490000111.3Y9 F47 L52 D61 R62 I68 C69Y9-C65 PolarHBondContact OH-SG 3.35Å; F47-C65 HydrophobicContact CZ-CB 4.12Å; L52-C65 HydrophobicContact CD2-CB 3.19Å; L52-C65 HydrophobicContact CG-CB 4.35Å; D61-C65 PolarHBondContact O-N 3.31Å; D61-C65 PolarHBondContact O-SG 3.26Å; R62-C65 PolarHBondContact O-N 3.04Å; C65-I68 WeakPolarHBondContact O-CB 3.44Å; C65-I68 PolarHBondContact O-N 3.19Å; C65-C69 PolarHBondContact O-N 2.88Å; C65-C69 PolarHBondContact O-SG 3.35Å
66L91.4Very high87Confident10 Ų1041.7 Ų41.75%0.05220%0.201CC..Hα-helixtrans-63.9-43.1178.7-71.2168.4000111.6R62 C63 L64 I68 C69 A70 Y85 C89 I92R62-L66 HydrophobicContact CG-CD1 4.47Å; R62-L66 WeakPolarHBondContact O-CG 3.49Å; R62-L66 PolarHBondContact O-N 3.33Å; R62-L66 VanDerWaalsContact O-N 3.09Å; C63-L66 PolarHBondContact O-N 3.06Å; L64-L66 VanDerWaalsContact C-N 3.31Å; L64-L66 PolarHBondContact O-N 3.01Å; L66-I68 VanDerWaalsContact C-N 3.29Å; L66-I68 PolarHBondContact O-N 2.98Å; L66-C69 WeakPolarHBondContact O-CB 3.42Å; L66-C69 PolarHBondContact O-N 3.09Å; L66-A70 PolarHBondContact O-N 3.22Å; L66-Y85 HydrophobicContact CD2-CD1 3.83Å; L66-Y85 WeakPolarHBondContact O-CB 3.24Å; L66-C89 HydrophobicContact CB-CB 4.05Å; L66-C89 HydrophobicContact CD1-CB 4.34Å; L66-I92 HydrophobicContact CD1-CD1 3.57Å
67H93.1Very high88.8Confident1 Ų141 Ų411%0.00519%0.19CC..Hα-helixtrans-58.7-41.8174.8-179.556.4000111.6L35 C63 L64 A70 L71 E86 N117L35-H67 VanDerWaalsContact C-NE2 3.29Å; L35-H67 HydrophobicContact CD2-CB 3.78Å; L35-H67 PolarHBondContact O-CE1 2.91Å; L35-H67 PolarHBondContact O-NE2 3.44Å; C63-H67 WeakPolarHBondContact O-CB 3.35Å; C63-H67 PolarHBondContact O-N 2.97Å; L64-H67 PolarHBondContact O-N 3.13Å; H67-A70 WeakPolarHBondContact O-CA 3.42Å; H67-A70 VanDerWaalsContact O-CB 3.29Å; H67-A70 WeakPolarHBondContact O-CB 3.37Å; H67-A70 PolarHBondContact O-N 3.35Å; H67-A70 VanDerWaalsContact O-N 3.13Å; H67-L71 WeakPolarHBondContact O-CG 3.4Å; H67-L71 PolarHBondContact O-N 3.15Å; H67-E86 IonicContact CE1-OE1 3.54Å; H67-E86 IonicContact CG-OE1 3.63Å; H67-E86 IonicContact ND1-OE1 2.66Å; H67-E86 PolarHBondContact ND1-OE1 3.19Å; H67-E86 IonicContact ND1-OE2 2.72Å; H67-N117 PolarHBondContact CE1-ND2 3.31Å; H67-N117 VanDerWaalsContact CE1-ND2 3.26Å; H67-N117 PolarHBondContact ND1-ND2 3.38Å
68I89.4Confident90.1Very high2 Ų240 Ų401%0.0118%0.18CC..Hα-helixtrans-62.8-44.6175.6-72.3168.1000111.5Y9 F12 L44 F47 L64 C65 L66 A70 L71 Q72Y9-I68 HydrophobicContact CD2-CD1 4.2Å; Y9-I68 HydrophobicContact CE2-CD1 3.66Å; F12-I68 HydrophobicContact CD1-CD1 4.14Å; F12-I68 HydrophobicContact CE1-CD1 3.71Å; F12-I68 HydrophobicContact CZ-CD1 4.4Å; L44-I68 HydrophobicContact CB-CG2 4.33Å; L44-I68 HydrophobicContact CD1-CB 4.14Å; L44-I68 HydrophobicContact CD1-CD1 3.64Å; L44-I68 HydrophobicContact CD1-CG1 3.52Å; L44-I68 HydrophobicContact CD1-CG2 3.66Å; L44-I68 HydrophobicContact CD2-CD1 3.72Å; L44-I68 HydrophobicContact CD2-CG1 4.46Å; L44-I68 HydrophobicContact CD2-CG2 4.27Å; L44-I68 HydrophobicContact CG-CD1 4.35Å; L44-I68 HydrophobicContact CG-CG2 4.32Å; F47-I68 HydrophobicContact CD1-CG2 3.64Å; F47-I68 HydrophobicContact CE1-CG2 4.07Å; F47-I68 HydrophobicContact CG-CG2 4.39Å; L64-I68 WeakPolarHBondContact O-CB 3.48Å; L64-I68 VanDerWaalsContact O-CG1 3.25Å; L64-I68 WeakPolarHBondContact O-CG1 3.42Å; L64-I68 PolarHBondContact O-N 2.86Å; C65-I68 WeakPolarHBondContact O-CB 3.44Å; C65-I68 PolarHBondContact O-N 3.19Å; L66-I68 VanDerWaalsContact C-N 3.29Å; L66-I68 PolarHBondContact O-N 2.98Å; I68-A70 PolarHBondContact O-N 3.39Å; I68-L71 PolarHBondContact O-N 3.27Å; I68-Q72 WeakPolarHBondContact O-CG 3.34Å; I68-Q72 PolarHBondContact O-N 3.49Å
69C89.8Confident90.8Very high3 Ų338.3 Ų38.32%0.0217%0.173CC..Hα-helixtrans-58.5-39.6173.2-670000111.3C65 L66 Q72 A73 Y85C65-C69 PolarHBondContact O-N 2.88Å; C65-C69 PolarHBondContact O-SG 3.35Å; L66-C69 WeakPolarHBondContact O-CB 3.42Å; L66-C69 PolarHBondContact O-N 3.09Å; C69-Q72 PolarHBondContact O-N 3.09Å; C69-A73 WeakPolarHBondContact O-CB 3.45Å; C69-A73 PolarHBondContact O-N 3.3Å; C69-Y85 HydrophobicContact CB-CD1 3.9Å; C69-Y85 HydrophobicContact CB-CD2 3.65Å; C69-Y85 HydrophobicContact CB-CE1 3.89Å; C69-Y85 HydrophobicContact CB-CE2 3.61Å; C69-Y85 HydrophobicContact CB-CG 3.8Å
70A93.7Very high91.2Very high0 Ų043.5 Ų43.50%020%0.196CC..Hα-helixtrans-62-46.2174.600000111.9L66 H67 I68 Q72 A73 L74 A82 E86L66-A70 PolarHBondContact O-N 3.22Å; H67-A70 WeakPolarHBondContact O-CA 3.42Å; H67-A70 VanDerWaalsContact O-CB 3.29Å; H67-A70 WeakPolarHBondContact O-CB 3.37Å; H67-A70 PolarHBondContact O-N 3.35Å; H67-A70 VanDerWaalsContact O-N 3.13Å; I68-A70 PolarHBondContact O-N 3.39Å; A70-Q72 PolarHBondContact O-N 3.25Å; A70-A73 PolarHBondContact O-N 3.35Å; A70-L74 WeakPolarHBondContact O-CG 3.41Å; A70-L74 PolarHBondContact O-N 3.1Å; A70-A82 HydrophobicContact CB-CB 4.39Å; A70-E86 HydrophobicContact CB-CG 3.87Å; A70-E86 WeakPolarHBondContact CB-OE1 3.37Å
71L92.1Very high91.5Very high12 Ų1246.9 Ų46.96%0.06321%0.212CC..Hα-helixtrans-61.3-42176.8-66.2176.4000112.1M37 C41 H67 I68 L74 Q75M37-L71 HydrophobicContact SD-CD2 3.61Å; C41-L71 WeakPolarHBondContact SG-CD1 3.39Å; H67-L71 WeakPolarHBondContact O-CG 3.4Å; H67-L71 PolarHBondContact O-N 3.15Å; I68-L71 PolarHBondContact O-N 3.27Å; L71-L74 HydrophobicContact CD2-CD1 4.39Å; L71-L74 PolarHBondContact O-N 2.72Å; L71-Q75 WeakPolarHBondContact O-CG 3.46Å; L71-Q75 PolarHBondContact O-N 3.02Å
72Q89.3Confident91.9Very high38 Ų3846.1 Ų46.118%0.17821%0.207CC..Hα-helixtrans-64.7-39.8175-70.2-179.3-10.500112.1L44 I68 C69 A70 Q75 K76L44-Q72 PolarHBondContact O-NE2 3.07Å; I68-Q72 WeakPolarHBondContact O-CG 3.34Å; I68-Q72 PolarHBondContact O-N 3.49Å; C69-Q72 PolarHBondContact O-N 3.09Å; A70-Q72 PolarHBondContact O-N 3.25Å; Q72-Q75 PolarHBondContact O-N 2.86Å; Q72-K76 WeakPolarHBondContact O-CG 3.45Å; Q72-K76 PolarHBondContact O-N 3.27Å
73A92.3Very high92.3Very high4 Ų442.1 Ų42.13%0.03319%0.192CC..Hα-helixtrans-66.2-40.6175.900000111.7C69 A70 Q75 K76 K77 K78 E81 A82 Y85C69-A73 WeakPolarHBondContact O-CB 3.45Å; C69-A73 PolarHBondContact O-N 3.3Å; A70-A73 PolarHBondContact O-N 3.35Å; A73-Q75 PolarHBondContact O-N 3.24Å; A73-K76 CarbonylContact O-C 3.42Å; A73-K76 WeakPolarHBondContact O-CA 3.28Å; A73-K76 PolarHBondContact O-N 3.28Å; A73-K76 VanDerWaalsContact O-N 3.12Å; A73-K77 PolarHBondContact O-N 3.32Å; A73-K77 VanDerWaalsContact O-N 3.15Å; A73-K78 HydrophobicContact CB-CB 4.37Å; A73-K78 PolarHBondContact O-N 3.34Å; A73-E81 HydrophobicContact CB-CB 4.32Å; A73-E81 HydrophobicContact CB-CG 4.25Å; A73-A82 HydrophobicContact CB-CB 3.84Å; A73-Y85 HydrophobicContact CB-CD2 4.46Å; A73-Y85 HydrophobicContact CB-CE2 4.44Å
74L92.8Very high92.6Very high28 Ų2845.7 Ų45.715%0.14721%0.214CC..Hα-helixtrans-60-43.8173.4-73.6174000112.3M37 A70 L71 K76 K77 Y79 A82 Y120 V121M37-L74 HydrophobicContact CE-CD1 4.43Å; M37-L74 HydrophobicContact SD-CD1 3.85Å; A70-L74 WeakPolarHBondContact O-CG 3.41Å; A70-L74 PolarHBondContact O-N 3.1Å; L71-L74 HydrophobicContact CD2-CD1 4.39Å; L71-L74 PolarHBondContact O-N 2.72Å; L74-K76 PolarHBondContact O-N 2.92Å; L74-K77 WeakPolarHBondContact O-CA 3.4Å; L74-K77 PolarHBondContact O-N 3.17Å; L74-Y79 HydrophobicContact CD2-CD1 3.69Å; L74-Y79 HydrophobicContact CD2-CE1 4.11Å; L74-A82 HydrophobicContact CD2-CB 3.84Å; L74-A82 HydrophobicContact CG-CB 3.76Å; L74-Y120 HydrophobicContact CD1-CE1 4.29Å; L74-V121 HydrophobicContact CD1-CG2 4.11Å; L74-V121 HydrophobicContact CD2-CG1 4.21Å; L74-V121 HydrophobicContact CD2-CG2 4.43Å
75Q90.3Very high92.9Very high141 Ų14148.5 Ų48.566%0.65923%0.225SC*.Hα-helixtrans-59.4-33.8175.4-72.8173.87.800112.3L71 Q72 A73 K77L71-Q75 WeakPolarHBondContact O-CG 3.46Å; L71-Q75 PolarHBondContact O-N 3.02Å; Q72-Q75 PolarHBondContact O-N 2.86Å; A73-Q75 PolarHBondContact O-N 3.24Å; Q75-K77 VanDerWaalsContact C-N 3.27Å; Q75-K77 PolarHBondContact O-N 3Å
76K92Very high93.3Very high140 Ų14048.2 Ų48.261%0.60922%0.224SC*.THydrogen-bonded Turntrans-85.55.8176-63.6171-174172.30113.2Q72 A73 L74 K78Q72-K76 WeakPolarHBondContact O-CG 3.45Å; Q72-K76 PolarHBondContact O-N 3.27Å; A73-K76 CarbonylContact O-C 3.42Å; A73-K76 WeakPolarHBondContact O-CA 3.28Å; A73-K76 PolarHBondContact O-N 3.28Å; A73-K76 VanDerWaalsContact O-N 3.12Å; L74-K76 PolarHBondContact O-N 2.92Å; K76-K78 HydrophobicContact CB-CG 4.15Å; K76-K78 PolarHBondContact O-N 2.81Å
77K92.9Very high93.7Very high154 Ų15449.5 Ų49.567%0.6723%0.23SC*.THydrogen-bonded Turntrans57.425.4-175.5-56.4-179.3178.9178.60114.1A73 L74 Q75 Y79A73-K77 PolarHBondContact O-N 3.32Å; A73-K77 VanDerWaalsContact O-N 3.15Å; L74-K77 WeakPolarHBondContact O-CA 3.4Å; L74-K77 PolarHBondContact O-N 3.17Å; Q75-K77 VanDerWaalsContact C-N 3.27Å; Q75-K77 PolarHBondContact O-N 3Å; K77-Y79 HydrophobicContact CB-CE2 3.98Å; K77-Y79 VanDerWaalsContact O-CD2 3.3Å; K77-Y79 WeakPolarHBondContact O-CD2 3.44Å; K77-Y79 WeakPolarHBondContact O-CE2 3.42Å; K77-Y79 PolarHBondContact O-N 3.05Å
78K93.7Very high93.8Very high109 Ų10951.7 Ų51.747%0.47425%0.246SC..  trans-92.672.7176.1-62.9-170.5179.7-173.40109.9A73 K76 Q80 E81 A82A73-K78 HydrophobicContact CB-CB 4.37Å; A73-K78 PolarHBondContact O-N 3.34Å; K76-K78 HydrophobicContact CB-CG 4.15Å; K76-K78 PolarHBondContact O-N 2.81Å; K78-Q80 PolarHBondContact O-N 2.99Å; K78-E81 HydrophobicContact CB-CB 4.08Å; K78-E81 WeakPolarHBondContact CD-OE2 3.28Å; K78-E81 IonicContact NZ-OE2 3.48Å; K78-E81 PolarHBondContact NZ-OE2 3.24Å; K78-E81 PolarHBondContact O-N 3.35Å; K78-A82 PolarHBondContact O-N 3.46Å
79Y94.6Very high94.1Very high34 Ų3451.6 Ų51.613%0.13325%0.245CC..Hα-helixtrans-66.5-37.7-169.3-56.4-70.8000114L74 K77 A82 L83 Q124 H128L74-Y79 HydrophobicContact CD2-CD1 3.69Å; L74-Y79 HydrophobicContact CD2-CE1 4.11Å; K77-Y79 HydrophobicContact CB-CE2 3.98Å; K77-Y79 VanDerWaalsContact O-CD2 3.3Å; K77-Y79 WeakPolarHBondContact O-CD2 3.44Å; K77-Y79 WeakPolarHBondContact O-CE2 3.42Å; K77-Y79 PolarHBondContact O-N 3.05Å; Y79-A82 PolarHBondContact O-N 3.48Å; Y79-L83 WeakPolarHBondContact O-CB 3.47Å; Y79-L83 PolarHBondContact O-N 2.99Å; Y79-Q124 HydrophobicContact CD1-CB 3.7Å; Y79-Q124 HydrophobicContact CE1-CB 3.99Å; Y79-Q124 HydrophobicContact CG-CB 4.41Å; Y79-H128 HydrophobicContact CD2-CB 3.48Å; Y79-H128 VanDerWaalsContact CD2-CB 3.48Å; Y79-H128 AromaticContact CD2-CD2 3.78Å; Y79-H128 AromaticContact CD2-CG 3.7Å; Y79-H128 HydrophobicContact CE2-CB 3.51Å; Y79-H128 AromaticContact CE2-CD2 3.13Å; Y79-H128 WeakPolarHBondContact CE2-CD2 3.34Å; Y79-H128 AromaticContact CE2-CG 3.17Å; Y79-H128 AromaticContact CE2-ND1 3.73Å; Y79-H128 AromaticContact CE2-NE2 3.69Å; Y79-H128 HydrophobicContact CG-CB 4.47Å; Y79-H128 AromaticContact CZ-CD2 3.28Å; Y79-H128 AromaticContact CZ-CG 3.82Å; Y79-H128 AromaticContact CZ-NE2 3.49Å; Y79-H128 PolarHBondContact OH-CD2 2.75Å; Y79-H128 PolarHBondContact OH-NE2 3.35Å
80Q94.3Very high94.4Very high127 Ų12751.5 Ų51.559%0.59325%0.245SC*.Hα-helixtrans-64.8-42.1176.6-178.2174.3-2.500111.7K78 L83 T84 F142K78-Q80 PolarHBondContact O-N 2.99Å; Q80-L83 WeakPolarHBondContact O-CB 3.4Å; Q80-L83 PolarHBondContact O-N 3.36Å; Q80-T84 PolarHBondContact O-N 3.33Å; Q80-T84 PolarHBondContact O-OG1 2.87Å; Q80-T84 VanDerWaalsContact O-OG1 3.1Å; Q80-F142 HydrophobicContact CB-CE1 4.26Å; Q80-F142 HydrophobicContact CB-CZ 4.08Å; Q80-F142 HydrophobicContact CG-CE1 3.76Å; Q80-F142 HydrophobicContact CG-CZ 3.91Å
81E94.8Very high94.6Very high72 Ų7258.6 Ų58.634%0.33628%0.275SS..Hα-helixtrans-63.6-44.3175.6-175178.5-172.700110.9A73 K78 L83 T84 Y85A73-E81 HydrophobicContact CB-CB 4.32Å; A73-E81 HydrophobicContact CB-CG 4.25Å; K78-E81 HydrophobicContact CB-CB 4.08Å; K78-E81 WeakPolarHBondContact CD-OE2 3.28Å; K78-E81 IonicContact NZ-OE2 3.48Å; K78-E81 PolarHBondContact NZ-OE2 3.24Å; K78-E81 PolarHBondContact O-N 3.35Å; E81-L83 VanDerWaalsContact C-N 3.27Å; E81-L83 PolarHBondContact O-N 3.48Å; E81-T84 WeakPolarHBondContact O-CB 3.33Å; E81-T84 PolarHBondContact O-N 2.89Å; E81-Y85 HydrophobicContact CG-CD2 4.22Å; E81-Y85 HydrophobicContact CG-CE2 3.61Å; E81-Y85 VanDerWaalsContact O-CD2 3.24Å; E81-Y85 WeakPolarHBondContact O-CD2 3.35Å; E81-Y85 PolarHBondContact O-N 3.25Å; E81-Y85 VanDerWaalsContact O-N 3.15Å; E81-Y85 PolarHBondContact OE1-OH 3Å
82A96Very high94.7Very high0 Ų060.1 Ų60.10%028%0.283CS..Hα-helixtrans-57.8-40.917400000112.3A70 A73 L74 K78 Y79 Y85 E86 V121A70-A82 HydrophobicContact CB-CB 4.39Å; A73-A82 HydrophobicContact CB-CB 3.84Å; L74-A82 HydrophobicContact CD2-CB 3.84Å; L74-A82 HydrophobicContact CG-CB 3.76Å; K78-A82 PolarHBondContact O-N 3.46Å; Y79-A82 PolarHBondContact O-N 3.48Å; A82-Y85 PolarHBondContact O-N 2.94Å; A82-E86 PolarHBondContact O-N 3.36Å; A82-E86 VanDerWaalsContact O-N 3.09Å; A82-V121 HydrophobicContact CB-CG1 3.68Å
83L97.1Very high95Very high3 Ų358.3 Ų58.32%0.01628%0.275CS..Hα-helixtrans-64.9-42.8178.4-178.165.3000111.4Y79 Q80 E81 Y85 E86 L87 L118 V121 A122 F142Y79-L83 WeakPolarHBondContact O-CB 3.47Å; Y79-L83 PolarHBondContact O-N 2.99Å; Q80-L83 WeakPolarHBondContact O-CB 3.4Å; Q80-L83 PolarHBondContact O-N 3.36Å; E81-L83 VanDerWaalsContact C-N 3.27Å; E81-L83 PolarHBondContact O-N 3.48Å; L83-Y85 VanDerWaalsContact C-N 3.25Å; L83-Y85 PolarHBondContact O-N 3.21Å; L83-E86 PolarHBondContact O-N 2.8Å; L83-L87 HydrophobicContact CD1-CD1 4.46Å; L83-L87 HydrophobicContact CD1-CG 4.34Å; L83-L87 HydrophobicContact CD2-CD1 4.49Å; L83-L87 HydrophobicContact CG-CD1 3.95Å; L83-L87 HydrophobicContact CG-CG 4.29Å; L83-L87 WeakPolarHBondContact O-CB 3.5Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 3.03Å; L83-L118 HydrophobicContact CD1-CD1 3.55Å; L83-V121 HydrophobicContact CB-CG1 3.9Å; L83-V121 HydrophobicContact CD1-CB 4.48Å; L83-V121 HydrophobicContact CD1-CG1 4.41Å; L83-A122 HydrophobicContact CD1-CB 3.94Å; L83-F142 HydrophobicContact CD2-CB 3.62Å; L83-F142 HydrophobicContact CD2-CD1 3.32Å; L83-F142 HydrophobicContact CD2-CE1 4.26Å; L83-F142 HydrophobicContact CD2-CG 3.78Å
84T97Very high95.2Very high76 Ų7658.8 Ų58.847%0.46628%0.277SS..Hα-helixtrans-57.8-40176-57.10000111.8Q80 E81 S88Q80-T84 PolarHBondContact O-N 3.33Å; Q80-T84 PolarHBondContact O-OG1 2.87Å; Q80-T84 VanDerWaalsContact O-OG1 3.1Å; E81-T84 WeakPolarHBondContact O-CB 3.33Å; E81-T84 PolarHBondContact O-N 2.89Å; T84-S88 WeakPolarHBondContact O-CB 3.31Å; T84-S88 PolarHBondContact O-N 3.46Å; T84-S88 PolarHBondContact O-OG 2.83Å
85Y96.3Very high95.3Very high58 Ų5860.4 Ų60.423%0.22729%0.288CS..Hα-helixtrans-66.4-45.7176-70.1-50.2000112.8L66 C69 A73 E81 A82 L83 S88 C89L66-Y85 HydrophobicContact CD2-CD1 3.83Å; L66-Y85 WeakPolarHBondContact O-CB 3.24Å; C69-Y85 HydrophobicContact CB-CD1 3.9Å; C69-Y85 HydrophobicContact CB-CD2 3.65Å; C69-Y85 HydrophobicContact CB-CE1 3.89Å; C69-Y85 HydrophobicContact CB-CE2 3.61Å; C69-Y85 HydrophobicContact CB-CG 3.8Å; A73-Y85 HydrophobicContact CB-CD2 4.46Å; A73-Y85 HydrophobicContact CB-CE2 4.44Å; E81-Y85 HydrophobicContact CG-CD2 4.22Å; E81-Y85 HydrophobicContact CG-CE2 3.61Å; E81-Y85 VanDerWaalsContact O-CD2 3.24Å; E81-Y85 WeakPolarHBondContact O-CD2 3.35Å; E81-Y85 PolarHBondContact O-N 3.25Å; E81-Y85 VanDerWaalsContact O-N 3.15Å; E81-Y85 PolarHBondContact OE1-OH 3Å; A82-Y85 PolarHBondContact O-N 2.94Å; L83-Y85 VanDerWaalsContact C-N 3.25Å; L83-Y85 PolarHBondContact O-N 3.21Å; Y85-S88 PolarHBondContact O-N 3.48Å; Y85-C89 WeakPolarHBondContact O-CB 3.4Å; Y85-C89 PolarHBondContact O-N 3.32Å
86E97.3Very high95.4Very high1 Ų156.2 Ų56.21%0.00527%0.27CS..Hα-helixtrans-65.8-38.1177-70.1-64.1163.700112.8M37 H67 A70 A82 L83 S88 C89 L90 L118 V121M37-E86 HydrophobicContact CE-CG 4.49Å; H67-E86 IonicContact CE1-OE1 3.54Å; H67-E86 IonicContact CG-OE1 3.63Å; H67-E86 IonicContact ND1-OE1 2.66Å; H67-E86 PolarHBondContact ND1-OE1 3.19Å; H67-E86 IonicContact ND1-OE2 2.72Å; A70-E86 HydrophobicContact CB-CG 3.87Å; A70-E86 WeakPolarHBondContact CB-OE1 3.37Å; A82-E86 PolarHBondContact O-N 3.36Å; A82-E86 VanDerWaalsContact O-N 3.09Å; L83-E86 PolarHBondContact O-N 2.8Å; E86-S88 VanDerWaalsContact C-N 3.35Å; E86-C89 WeakPolarHBondContact O-CB 3.36Å; E86-C89 PolarHBondContact O-N 3.09Å; E86-L90 PolarHBondContact O-N 3.09Å; E86-L118 HydrophobicContact CB-CD1 3.81Å; E86-V121 HydrophobicContact CG-CG2 3.89Å
87L98Very high95.5Very high36 Ų3649.7 Ų49.719%0.18824%0.242CC..Hα-helixtrans-61.3-44.9173.4-77.1170.2000111.3L83 C89 L90 K91 L118 A149L83-L87 HydrophobicContact CD1-CD1 4.46Å; L83-L87 HydrophobicContact CD1-CG 4.34Å; L83-L87 HydrophobicContact CD2-CD1 4.49Å; L83-L87 HydrophobicContact CG-CD1 3.95Å; L83-L87 HydrophobicContact CG-CG 4.29Å; L83-L87 WeakPolarHBondContact O-CB 3.5Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 3.03Å; L87-C89 VanDerWaalsContact C-N 3.33Å; L87-L90 PolarHBondContact O-N 3.25Å; L87-K91 WeakPolarHBondContact O-CB 3.46Å; L87-K91 PolarHBondContact O-N 2.93Å; L87-L118 HydrophobicContact CD2-CD1 3.68Å; L87-L118 HydrophobicContact CD2-CD2 3.95Å; L87-L118 HydrophobicContact CD2-CG 4.41Å; L87-L118 HydrophobicContact CG-CD1 3.73Å; L87-A149 HydrophobicContact CD2-CB 3.78Å
88S96.1Very high95.6Very high47 Ų4742.4 Ų42.433%0.32921%0.21SC..Hα-helixtrans-64.4-40.7177.3-60.10000111.4T84 Y85 E86 K91 I92T84-S88 WeakPolarHBondContact O-CB 3.31Å; T84-S88 PolarHBondContact O-N 3.46Å; T84-S88 PolarHBondContact O-OG 2.83Å; Y85-S88 PolarHBondContact O-N 3.48Å; E86-S88 VanDerWaalsContact C-N 3.35Å; S88-K91 PolarHBondContact O-N 3.04Å; S88-I92 VanDerWaalsContact O-CG1 3.32Å; S88-I92 WeakPolarHBondContact O-CG1 3.42Å; S88-I92 PolarHBondContact O-N 3.15Å
89C95.1Very high95.5Very high0 Ų041.6 Ų41.60%021%0.208CC..Hα-helixtrans-57.4-54.6174.9-179.40000111C63 L66 Y85 E86 L87 K91 I92 F93C63-C89 WeakPolarHBondContact CB-SG 3.47Å; C63-C89 PolarHBondContact O-SG 3.06Å; C63-C89 VanDerWaalsContact O-SG 3.35Å; C63-C89 PolarHBondContact SG-O 3.03Å; C63-C89 VanDerWaalsContact SG-O 3.33Å; L66-C89 HydrophobicContact CB-CB 4.05Å; L66-C89 HydrophobicContact CD1-CB 4.34Å; Y85-C89 WeakPolarHBondContact O-CB 3.4Å; Y85-C89 PolarHBondContact O-N 3.32Å; E86-C89 WeakPolarHBondContact O-CB 3.36Å; E86-C89 PolarHBondContact O-N 3.09Å; L87-C89 VanDerWaalsContact C-N 3.33Å; C89-K91 VanDerWaalsContact C-N 3.32Å; C89-K91 PolarHBondContact O-N 3.25Å; C89-I92 PolarHBondContact O-N 3.35Å; C89-F93 PolarHBondContact O-N 3.06Å
90L97.6Very high95.4Very high2 Ų246.5 Ų46.51%0.0123%0.23CC..Hα-helixtrans-62.5-38.5179.3-174.662.8000112.2E86 L87 F93 T94 L111 M114 L118 A149E86-L90 PolarHBondContact O-N 3.09Å; L87-L90 PolarHBondContact O-N 3.25Å; L90-F93 PolarHBondContact O-N 3.17Å; L90-T94 WeakPolarHBondContact O-CB 3.2Å; L90-T94 PolarHBondContact O-N 2.96Å; L90-T94 PolarHBondContact O-OG1 3.41Å; L90-L111 HydrophobicContact CD1-CD1 3.7Å; L90-M114 HydrophobicContact CD1-CB 3.94Å; L90-M114 HydrophobicContact CD1-SD 4.42Å; L90-L118 HydrophobicContact CD2-CD2 3.67Å; L90-A149 HydrophobicContact CD2-CB 4.06Å
91K96.8Very high95.3Very high148 Ų14841.5 Ų41.564%0.64321%0.209SC*.Hα-helixtrans-61.9-47.1176.8-177.2178.9179.2-179.20111.9L87 S88 C89 T94 V95L87-K91 WeakPolarHBondContact O-CB 3.46Å; L87-K91 PolarHBondContact O-N 2.93Å; S88-K91 PolarHBondContact O-N 3.04Å; C89-K91 VanDerWaalsContact C-N 3.32Å; C89-K91 PolarHBondContact O-N 3.25Å; K91-T94 WeakPolarHBondContact O-CB 3.39Å; K91-T94 PolarHBondContact O-N 2.93Å; K91-V95 WeakPolarHBondContact O-CG2 3.43Å; K91-V95 PolarHBondContact O-N 3.33Å; K91-V95 VanDerWaalsContact O-N 3.08Å
92I94.6Very high94.7Very high44 Ų4445.1 Ų45.123%0.22622%0.224CC..Hα-helixtrans-61.5-46.2178.5-71.4172.8000110.5P59 R62 L66 S88 C89 T94 V95 N96P59-I92 HydrophobicContact CB-CG2 4.27Å; R62-I92 HydrophobicContact CG-CD1 3.67Å; L66-I92 HydrophobicContact CD1-CD1 3.57Å; S88-I92 VanDerWaalsContact O-CG1 3.32Å; S88-I92 WeakPolarHBondContact O-CG1 3.42Å; S88-I92 PolarHBondContact O-N 3.15Å; C89-I92 PolarHBondContact O-N 3.35Å; I92-T94 VanDerWaalsContact C-N 3.31Å; I92-T94 PolarHBondContact O-N 3.06Å; I92-V95 PolarHBondContact O-N 3.33Å; I92-N96 WeakPolarHBondContact O-CB 3.42Å; I92-N96 PolarHBondContact O-N 3.39Å; I92-N96 PolarHBondContact O-ND2 3.32Å
93F95.7Very high94.3Very high0 Ų051.6 Ų51.60%025%0.254CS..Hα-helixtrans-63.2-38.9177.9-169.8-94.4000112.3V60 C89 L90 V97 L98 F107 V110 L111 M114V60-F93 HydrophobicContact CG2-CD2 4.39Å; V60-F93 HydrophobicContact CG2-CE2 4.16Å; C89-F93 PolarHBondContact O-N 3.06Å; L90-F93 PolarHBondContact O-N 3.17Å; F93-V97 HydrophobicContact CD1-CB 4.41Å; F93-V97 HydrophobicContact CD2-CB 4.17Å; F93-V97 HydrophobicContact CD2-CG2 3.81Å; F93-V97 HydrophobicContact CE1-CB 4.25Å; F93-V97 HydrophobicContact CE1-CG1 4.32Å; F93-V97 HydrophobicContact CE2-CB 4.02Å; F93-V97 HydrophobicContact CE2-CG1 4.09Å; F93-V97 HydrophobicContact CE2-CG2 3.83Å; F93-V97 HydrophobicContact CG-CB 4.39Å; F93-V97 HydrophobicContact CG-CG2 4.38Å; F93-V97 HydrophobicContact CZ-CB 4.08Å; F93-V97 HydrophobicContact CZ-CG1 3.89Å; F93-V97 HydrophobicContact CZ-CG2 4.41Å; F93-V97 WeakPolarHBondContact O-CA 3.06Å; F93-V97 VanDerWaalsContact O-CB 3.31Å; F93-V97 WeakPolarHBondContact O-CB 2.91Å; F93-V97 PolarHBondContact O-N 3.27Å; F93-L98 PolarHBondContact O-N 3.36Å; F93-L98 VanDerWaalsContact O-N 3.11Å; F93-F107 HydrophobicContact CE1-CD2 4.25Å; F93-F107 HydrophobicContact CZ-CB 4.01Å; F93-F107 HydrophobicContact CZ-CD2 4.28Å; F93-F107 HydrophobicContact CZ-CG 4.46Å; F93-V110 HydrophobicContact CD2-CG1 4.17Å; F93-V110 HydrophobicContact CE1-CG1 4.5Å; F93-V110 HydrophobicContact CE2-CB 4.17Å; F93-V110 HydrophobicContact CE2-CG1 3.49Å; F93-V110 VanDerWaalsContact CE2-CG1 3.49Å; F93-V110 HydrophobicContact CZ-CB 3.91Å; F93-V110 HydrophobicContact CZ-CG1 3.66Å; F93-L111 HydrophobicContact CD1-CD1 4.37Å; F93-L111 HydrophobicContact CE1-CB 4.04Å; F93-L111 HydrophobicContact CE1-CD1 4.44Å; F93-M114 HydrophobicContact CB-CE 4.07Å; F93-M114 HydrophobicContact CB-SD 3.68Å; F93-M114 HydrophobicContact CD1-SD 4.08Å; F93-M114 HydrophobicContact CD2-CE 3.76Å; F93-M114 HydrophobicContact CD2-SD 4.05Å; F93-M114 HydrophobicContact CE2-CE 4.38Å; F93-M114 HydrophobicContact CG-CE 3.98Å; F93-M114 HydrophobicContact CG-SD 3.67Å
94T95.6Very high94Very high14 Ų1454.8 Ų54.89%0.08627%0.269CS..Iπ-helixtrans-59.4-53.6177.3-61.20000110.9L90 K91 I92 L98 E99 C153 I156L90-T94 WeakPolarHBondContact O-CB 3.2Å; L90-T94 PolarHBondContact O-N 2.96Å; L90-T94 PolarHBondContact O-OG1 3.41Å; K91-T94 WeakPolarHBondContact O-CB 3.39Å; K91-T94 PolarHBondContact O-N 2.93Å; I92-T94 VanDerWaalsContact C-N 3.31Å; I92-T94 PolarHBondContact O-N 3.06Å; T94-L98 HydrophobicContact CG2-CD2 4.34Å; T94-L98 WeakPolarHBondContact O-CB 3.48Å; T94-L98 PolarHBondContact O-N 3.02Å; T94-E99 HydrophobicContact CG2-CG 4.47Å; T94-E99 WeakPolarHBondContact O-CG 3.41Å; T94-E99 PolarHBondContact O-N 3.2Å; T94-C153 PolarHBondContact OG1-SG 3.28Å; T94-C153 VanDerWaalsContact OG1-SG 3.36Å; T94-I156 HydrophobicContact CG2-CD1 3.47Å; T94-I156 VanDerWaalsContact CG2-CD1 3.47Å
95V94.6Very high93.8Very high63 Ų6352.4 Ų52.438%0.38225%0.253SS..Iπ-helixtrans-69.2-38.8-176.3174.30000112.3K91 I92K91-V95 WeakPolarHBondContact O-CG2 3.43Å; K91-V95 PolarHBondContact O-N 3.33Å; K91-V95 VanDerWaalsContact O-N 3.08Å; I92-V95 PolarHBondContact O-N 3.33Å
96N93.5Very high93.7Very high53 Ų5350.5 Ų50.528%0.28325%0.246SC..Iπ-helixtrans-96.1-16.3-170.9-67.6-71000114.7P59 I92 K100P59-N96 HydrophobicContact CB-CB 3.53Å; P59-N96 HydrophobicContact CG-CB 3.85Å; I92-N96 WeakPolarHBondContact O-CB 3.42Å; I92-N96 PolarHBondContact O-N 3.39Å; I92-N96 PolarHBondContact O-ND2 3.32Å; N96-K100 WeakPolarHBondContact O-CD 3.15Å; N96-K100 PolarHBondContact OD1-NZ 3.05Å
97V94Very high93.6Very high2 Ų250.5 Ų50.51%0.01225%0.245CC..Iπ-helixtrans-124.5-60.6-179.6-172.70000110.1F20 P59 F93 E99 K100 C101 F107F20-V97 HydrophobicContact CE2-CG2 4.34Å; F20-V97 HydrophobicContact CZ-CG1 4.48Å; F20-V97 HydrophobicContact CZ-CG2 3.87Å; P59-V97 HydrophobicContact CB-CG2 4.33Å; P59-V97 HydrophobicContact CG-CG2 3.71Å; F93-V97 HydrophobicContact CD1-CB 4.41Å; F93-V97 HydrophobicContact CD2-CB 4.17Å; F93-V97 HydrophobicContact CD2-CG2 3.81Å; F93-V97 HydrophobicContact CE1-CB 4.25Å; F93-V97 HydrophobicContact CE1-CG1 4.32Å; F93-V97 HydrophobicContact CE2-CB 4.02Å; F93-V97 HydrophobicContact CE2-CG1 4.09Å; F93-V97 HydrophobicContact CE2-CG2 3.83Å; F93-V97 HydrophobicContact CG-CB 4.39Å; F93-V97 HydrophobicContact CG-CG2 4.38Å; F93-V97 HydrophobicContact CZ-CB 4.08Å; F93-V97 HydrophobicContact CZ-CG1 3.89Å; F93-V97 HydrophobicContact CZ-CG2 4.41Å; F93-V97 WeakPolarHBondContact O-CA 3.06Å; F93-V97 VanDerWaalsContact O-CB 3.31Å; F93-V97 WeakPolarHBondContact O-CB 2.91Å; F93-V97 PolarHBondContact O-N 3.27Å; V97-E99 PolarHBondContact O-N 3.17Å; V97-K100 PolarHBondContact O-N 3.38Å; V97-C101 WeakPolarHBondContact O-CB 3.32Å; V97-C101 PolarHBondContact O-N 2.87Å; V97-F107 HydrophobicContact CG1-CB 3.99Å; V97-F107 HydrophobicContact CG1-CD1 3.88Å; V97-F107 HydrophobicContact CG1-CD2 4.17Å; V97-F107 HydrophobicContact CG1-CE1 4.44Å; V97-F107 HydrophobicContact CG1-CG 3.73Å
98L94.2Very high93.5Very high1 Ų148.8 Ų48.81%0.00524%0.237CC..Iπ-helixtrans-62-41.2-171.6-174.158.8000113.1F93 T94 F107 L111 C153 I156 K169F93-L98 PolarHBondContact O-N 3.36Å; F93-L98 VanDerWaalsContact O-N 3.11Å; T94-L98 HydrophobicContact CG2-CD2 4.34Å; T94-L98 WeakPolarHBondContact O-CB 3.48Å; T94-L98 PolarHBondContact O-N 3.02Å; L98-F107 HydrophobicContact CD1-CE2 3.64Å; L98-F107 HydrophobicContact CD1-CZ 4.23Å; L98-L111 HydrophobicContact CD1-CD2 4.23Å; L98-L111 HydrophobicContact CD2-CD2 4.2Å; L98-C153 HydrophobicContact CD2-CB 3.88Å; L98-I156 HydrophobicContact CD1-CG2 4.36Å; L98-I156 HydrophobicContact CD2-CB 4.13Å; L98-I156 HydrophobicContact CD2-CD1 3.9Å; L98-I156 HydrophobicContact CD2-CG2 4.32Å; L98-I156 HydrophobicContact CG-CB 4.2Å; L98-I156 HydrophobicContact CG-CD1 4.21Å; L98-I156 HydrophobicContact CG-CG2 3.82Å; L98-K169 HydrophobicContact CD1-CD 3.73Å
99E93.1Very high93.4Very high92 Ų9246.6 Ų46.643%0.4322%0.221SC..THydrogen-bonded Turntrans-79.4-26.9179-70.2-178.9167.100113.7T94 V97 K102 I156T94-E99 HydrophobicContact CG2-CG 4.47Å; T94-E99 WeakPolarHBondContact O-CG 3.41Å; T94-E99 PolarHBondContact O-N 3.2Å; V97-E99 PolarHBondContact O-N 3.17Å; E99-K102 WeakPolarHBondContact O-CE 3.34Å; E99-K102 VanDerWaalsContact O-CG 3.32Å; E99-K102 WeakPolarHBondContact O-CG 3.14Å; E99-I156 HydrophobicContact CG-CD1 3.7Å; E99-I156 HydrophobicContact CG-CG1 4.47Å
100K92.1Very high93.5Very high138 Ų13846.6 Ų46.660%0.622%0.221SC*.THydrogen-bonded Turntrans-85.2-42.4-177.2-66.4-170.2-173.2167.80112N96 V97 K102N96-K100 WeakPolarHBondContact O-CD 3.15Å; N96-K100 PolarHBondContact OD1-NZ 3.05Å; V97-K100 PolarHBondContact O-N 3.38Å; K100-K102 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 3.27Å
101C90.9Very high93.5Very high21 Ų2146.5 Ų46.514%0.14222%0.221CC..  trans-8664.8-177.7-58.90000111.2V97 E103 E104 F107 K169V97-C101 WeakPolarHBondContact O-CB 3.32Å; V97-C101 PolarHBondContact O-N 2.87Å; C101-E103 VanDerWaalsContact C-N 3.29Å; C101-E103 PolarHBondContact O-N 3.21Å; C101-E104 HydrophobicContact CB-CB 4.19Å; C101-E104 PolarHBondContact O-N 2.99Å; C101-F107 HydrophobicContact CB-CD1 4.1Å; C101-F107 HydrophobicContact CB-CE1 3.35Å; C101-F107 HydrophobicContact CB-CZ 4.02Å; C101-K169 PolarHBondContact O-NZ 3.32Å
102K84Confident93.4Very high148 Ų14841.2 Ų41.264%0.64320%0.197SC*.THydrogen-bonded Turntrans-65.7-22.7-168.9-68.2-178.2-179.9175.40114.9E99 K100 K169E99-K102 WeakPolarHBondContact O-CE 3.34Å; E99-K102 VanDerWaalsContact O-CG 3.32Å; E99-K102 WeakPolarHBondContact O-CG 3.14Å; K100-K102 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 3.27Å; K102-K169 WeakPolarHBondContact O-CE 3.42Å; K102-K169 PolarHBondContact O-NZ 2.9Å
103E85.8Confident93.6Very high137 Ų13740.2 Ų40.264%0.6419%0.191SC*.THydrogen-bonded Turntrans-121.521.7-177.4-60.1-173.6163.700112.8C101 V163 V167C101-E103 VanDerWaalsContact C-N 3.29Å; C101-E103 PolarHBondContact O-N 3.21Å; E103-V163 HydrophobicContact CG-CG2 4.41Å; E103-V167 VanDerWaalsContact O-CB 3.3Å; E103-V167 WeakPolarHBondContact O-CB 3.48Å; E103-V167 WeakPolarHBondContact O-CG2 3.33Å
104E91.5Very high93.6Very high70 Ų7040.2 Ų40.233%0.32719%0.192SC..  trans-126.6155.9-178.6-63.2164.3-107.500110.3C101 W106 F107 K169C101-E104 HydrophobicContact CB-CB 4.19Å; C101-E104 PolarHBondContact O-N 2.99Å; E104-W106 PolarHBondContact OE2-NE1 3.44Å; E104-F107 HydrophobicContact CB-CE1 4.05Å; E104-F107 WeakPolarHBondContact O-CE1 3.45Å; E104-F107 VanDerWaalsContact O-CZ 3.29Å; E104-F107 WeakPolarHBondContact O-CZ 3.49Å; E104-K169 PolarHBondContact O-NZ 3.07Å
105N93.2Very high93.7Very high26 Ų2639.6 Ų39.614%0.13919%0.188CC..  trans-138.74.7-179.967.44.7000113.8F107 L108 E166 V167 T168 K169N105-F107 PolarHBondContact O-N 3.05Å; N105-F107 VanDerWaalsContact O-N 3.12Å; N105-L108 HydrophobicContact CB-CD1 3.72Å; N105-L108 HydrophobicContact CB-CG 4.06Å; N105-L108 VanDerWaalsContact O-CB 3.31Å; N105-L108 WeakPolarHBondContact O-CB 3.4Å; N105-L108 VanDerWaalsContact O-CG 3.23Å; N105-L108 WeakPolarHBondContact O-CG 3.45Å; N105-L108 PolarHBondContact O-N 2.82Å; N105-E166 PolarHBondContact ND2-O 2.96Å; N105-V167 WeakPolarHBondContact CB-O 3.45Å; N105-V167 VanDerWaalsContact ND2-CA 3.35Å; N105-V167 WeakPolarHBondContact ND2-CA 3.33Å; N105-T168 PolarHBondContact ND2-O 2.66Å; N105-K169 HydrophobicContact CB-CG 4.41Å
106W94.3Very high93.8Very high18 Ų1838.4 Ų38.47%0.06818%0.182CC..THydrogen-bonded Turntrans-59.1-29.3-17756.7-102.8000112.4F20 E23 A28 E104 L108 P109F20-W106 AromaticContact CD2-CH2 3.84Å; F20-W106 HydrophobicContact CD2-CH2 3.84Å; F20-W106 AromaticContact CD2-CZ3 3.86Å; F20-W106 HydrophobicContact CD2-CZ3 3.86Å; F20-W106 HydrophobicContact CE1-CH2 4.5Å; F20-W106 AromaticContact CE2-CH2 3.36Å; F20-W106 HydrophobicContact CE2-CH2 3.36Å; F20-W106 AromaticContact CE2-CZ3 3.71Å; F20-W106 HydrophobicContact CE2-CZ3 3.71Å; F20-W106 AromaticContact CZ-CH2 3.75Å; F20-W106 HydrophobicContact CZ-CH2 3.75Å; E23-W106 HydrophobicContact CB-CD2 4.33Å; E23-W106 HydrophobicContact CB-CZ2 4Å; E23-W106 HydrophobicContact CG-CH2 4.25Å; E23-W106 HydrophobicContact CG-CZ2 3.83Å; E23-W106 VanDerWaalsContact O-CG 3.24Å; A28-W106 HydrophobicContact CB-CE3 4.28Å; A28-W106 WeakPolarHBondContact CB-O 3.47Å; E104-W106 PolarHBondContact OE2-NE1 3.44Å; W106-L108 VanDerWaalsContact C-N 3.33Å; W106-L108 PolarHBondContact O-N 3.08Å; W106-P109 WeakPolarHBondContact O-CD 3.5Å
107F95Very high94Very high0 Ų036 Ų360%017%0.169CC..THydrogen-bonded Turntrans-81.5-5.8-178.456.1-100.6000114.3F93 V97 L98 C101 E104 N105 P109 V110 L111 K169F93-F107 HydrophobicContact CE1-CD2 4.25Å; F93-F107 HydrophobicContact CZ-CB 4.01Å; F93-F107 HydrophobicContact CZ-CD2 4.28Å; F93-F107 HydrophobicContact CZ-CG 4.46Å; V97-F107 HydrophobicContact CG1-CB 3.99Å; V97-F107 HydrophobicContact CG1-CD1 3.88Å; V97-F107 HydrophobicContact CG1-CD2 4.17Å; V97-F107 HydrophobicContact CG1-CE1 4.44Å; V97-F107 HydrophobicContact CG1-CG 3.73Å; L98-F107 HydrophobicContact CD1-CE2 3.64Å; L98-F107 HydrophobicContact CD1-CZ 4.23Å; C101-F107 HydrophobicContact CB-CD1 4.1Å; C101-F107 HydrophobicContact CB-CE1 3.35Å; C101-F107 HydrophobicContact CB-CZ 4.02Å; E104-F107 HydrophobicContact CB-CE1 4.05Å; E104-F107 WeakPolarHBondContact O-CE1 3.45Å; E104-F107 VanDerWaalsContact O-CZ 3.29Å; E104-F107 WeakPolarHBondContact O-CZ 3.49Å; N105-F107 PolarHBondContact O-N 3.05Å; N105-F107 VanDerWaalsContact O-N 3.12Å; F107-P109 VanDerWaalsContact C-N 3.34Å; F107-V110 WeakPolarHBondContact O-CB 3.37Å; F107-V110 PolarHBondContact O-N 2.87Å; F107-L111 PolarHBondContact O-N 2.98Å; F107-K169 HydrophobicContact CE2-CD 4.26Å; F107-K169 HydrophobicContact CZ-CD 3.92Å; F107-K169 HydrophobicContact CZ-CG 4.36Å
108L95.2Very high94.2Very high0 Ų035.9 Ų35.90%017%0.168CC..Hα-helixtrans-54.7-38-178.5-74.4-178.1000114.8W25 N105 W106 V110 L111 Y112 K169 V171W25-L108 HydrophobicContact CH2-CB 4.34Å; W25-L108 HydrophobicContact CZ3-CB 4.1Å; N105-L108 HydrophobicContact CB-CD1 3.72Å; N105-L108 HydrophobicContact CB-CG 4.06Å; N105-L108 VanDerWaalsContact O-CB 3.31Å; N105-L108 WeakPolarHBondContact O-CB 3.4Å; N105-L108 VanDerWaalsContact O-CG 3.23Å; N105-L108 WeakPolarHBondContact O-CG 3.45Å; N105-L108 PolarHBondContact O-N 2.82Å; W106-L108 VanDerWaalsContact C-N 3.33Å; W106-L108 PolarHBondContact O-N 3.08Å; L108-V110 PolarHBondContact O-N 3.49Å; L108-L111 HydrophobicContact CD2-CD2 4.04Å; L108-L111 WeakPolarHBondContact O-CB 3.49Å; L108-L111 PolarHBondContact O-N 3.05Å; L108-L111 VanDerWaalsContact O-N 3.17Å; L108-Y112 HydrophobicContact CB-CE1 4.09Å; L108-Y112 HydrophobicContact CB-CE2 4.13Å; L108-Y112 WeakPolarHBondContact CD1-OH 3.3Å; L108-Y112 HydrophobicContact CD2-CE1 4.25Å; L108-Y112 VanDerWaalsContact O-CD1 3.32Å; L108-Y112 WeakPolarHBondContact O-CD1 3.49Å; L108-Y112 WeakPolarHBondContact O-CD2 3.44Å; L108-Y112 PolarHBondContact O-N 3.24Å; L108-K169 HydrophobicContact CD2-CG 4.3Å; L108-V171 HydrophobicContact CD1-CG1 3.55Å
109P95.6Very high94.2Very high2 Ų237.9 Ų37.91%0.01318%0.176CC..Hα-helixtrans-54.3-40.3173.9-27.836.7000113.1W25 A28 R32 W106 F107 Y112 Q113W25-P109 HydrophobicContact CD2-CG 3.79Å; W25-P109 VanDerWaalsContact CE2-CG 3.49Å; W25-P109 HydrophobicContact CE3-CG 4.14Å; W25-P109 HydrophobicContact CG-CG 4.37Å; W25-P109 HydrophobicContact CH2-CG 3.97Å; W25-P109 HydrophobicContact CZ2-CG 3.6Å; W25-P109 HydrophobicContact CZ3-CG 4.22Å; A28-P109 HydrophobicContact CB-CB 4.23Å; A28-P109 HydrophobicContact CB-CG 4.09Å; R32-P109 HydrophobicContact CB-CB 4.41Å; R32-P109 WeakPolarHBondContact CD-O 3.29Å; R32-P109 VanDerWaalsContact CG-O 3.31Å; R32-P109 WeakPolarHBondContact CG-O 3.42Å; W106-P109 WeakPolarHBondContact O-CD 3.5Å; F107-P109 VanDerWaalsContact C-N 3.34Å; P109-Y112 PolarHBondContact O-N 2.8Å; P109-Q113 PolarHBondContact O-N 3.22Å
110V96.5Very high94.4Very high0 Ų038.5 Ų38.50%018%0.175CC..Hα-helixtrans-65.8-47.7177.9175.60000110.3A28 I31 L35 F93 F107 L108 Y112 Q113 M114A28-V110 HydrophobicContact CB-CG2 4Å; A28-V110 WeakPolarHBondContact O-CG2 3.37Å; I31-V110 HydrophobicContact CB-CG2 3.77Å; I31-V110 HydrophobicContact CD1-CG2 4.45Å; I31-V110 HydrophobicContact CG2-CG1 4.3Å; I31-V110 HydrophobicContact CG2-CG2 3.73Å; L35-V110 HydrophobicContact CD1-CG1 3.65Å; F93-V110 HydrophobicContact CD2-CG1 4.17Å; F93-V110 HydrophobicContact CE1-CG1 4.5Å; F93-V110 HydrophobicContact CE2-CB 4.17Å; F93-V110 HydrophobicContact CE2-CG1 3.49Å; F93-V110 VanDerWaalsContact CE2-CG1 3.49Å; F93-V110 HydrophobicContact CZ-CB 3.91Å; F93-V110 HydrophobicContact CZ-CG1 3.66Å; F107-V110 WeakPolarHBondContact O-CB 3.37Å; F107-V110 PolarHBondContact O-N 2.87Å; L108-V110 PolarHBondContact O-N 3.49Å; V110-Y112 VanDerWaalsContact C-N 3.32Å; V110-Y112 PolarHBondContact O-N 3.5Å; V110-Q113 PolarHBondContact O-N 3.35Å; V110-M114 HydrophobicContact CG1-CE 3.69Å; V110-M114 HydrophobicContact CG1-SD 4.23Å; V110-M114 WeakPolarHBondContact O-CG 3.33Å; V110-M114 PolarHBondContact O-N 3.36Å
111L96.8Very high94.6Very high0 Ų031.9 Ų31.90%015%0.146CC..Hα-helixtrans-56.1-46.7176.8179.361.6000111.5L90 F93 L98 F107 L108 Q113 M114 C115 C153 L176L90-L111 HydrophobicContact CD1-CD1 3.7Å; F93-L111 HydrophobicContact CD1-CD1 4.37Å; F93-L111 HydrophobicContact CE1-CB 4.04Å; F93-L111 HydrophobicContact CE1-CD1 4.44Å; L98-L111 HydrophobicContact CD1-CD2 4.23Å; L98-L111 HydrophobicContact CD2-CD2 4.2Å; F107-L111 PolarHBondContact O-N 2.98Å; L108-L111 HydrophobicContact CD2-CD2 4.04Å; L108-L111 WeakPolarHBondContact O-CB 3.49Å; L108-L111 PolarHBondContact O-N 3.05Å; L108-L111 VanDerWaalsContact O-N 3.17Å; L111-Q113 VanDerWaalsContact C-N 3.3Å; L111-Q113 PolarHBondContact O-N 3.07Å; L111-M114 PolarHBondContact O-N 2.83Å; L111-C115 PolarHBondContact O-N 3.33Å; L111-C115 PolarHBondContact O-SG 2.88Å; L111-C153 HydrophobicContact CD1-CB 4.25Å; L111-L176 HydrophobicContact CD2-CD1 4.45Å; L111-L176 HydrophobicContact CG-CD2 4.48Å
112Y96.3Very high94.8Very high37 Ų3730.9 Ų30.915%0.14514%0.14CC..Hα-helixtrans-60.3-41.3-179.9-57.5-22000112.2L108 P109 V110 C115 S116 G172 N175L108-Y112 HydrophobicContact CB-CE1 4.09Å; L108-Y112 HydrophobicContact CB-CE2 4.13Å; L108-Y112 WeakPolarHBondContact CD1-OH 3.3Å; L108-Y112 HydrophobicContact CD2-CE1 4.25Å; L108-Y112 VanDerWaalsContact O-CD1 3.32Å; L108-Y112 WeakPolarHBondContact O-CD1 3.49Å; L108-Y112 WeakPolarHBondContact O-CD2 3.44Å; L108-Y112 PolarHBondContact O-N 3.24Å; P109-Y112 PolarHBondContact O-N 2.8Å; V110-Y112 VanDerWaalsContact C-N 3.32Å; V110-Y112 PolarHBondContact O-N 3.5Å; Y112-C115 PolarHBondContact O-N 2.65Å; Y112-S116 WeakPolarHBondContact O-CB 2.93Å; Y112-S116 PolarHBondContact O-N 3.31Å; Y112-G172 WeakPolarHBondContact OH-CA 3.41Å; Y112-G172 PolarHBondContact OH-N 3.1Å; Y112-N175 HydrophobicContact CD1-CB 3.57Å; Y112-N175 HydrophobicContact CD2-CB 4.25Å; Y112-N175 HydrophobicContact CE1-CB 3.54Å; Y112-N175 HydrophobicContact CE2-CB 4.23Å; Y112-N175 WeakPolarHBondContact CE2-ND2 3.34Å; Y112-N175 HydrophobicContact CG-CB 3.95Å
113Q96.7Very high95.3Very high22 Ų2226.1 Ų26.110%0.10313%0.125CC..Hα-helixtrans-67.4-42.5177.7-175.66854.700111.9R32 L35 P109 V110 L111 C115 S116 N117R32-Q113 HydrophobicContact CG-CB 3.45Å; R32-Q113 VanDerWaalsContact CG-CB 3.45Å; R32-Q113 HydrophobicContact CG-CG 3.97Å; R32-Q113 WeakPolarHBondContact O-CG 3.37Å; L35-Q113 HydrophobicContact CB-CG 3.75Å; L35-Q113 WeakPolarHBondContact O-CG 3.46Å; P109-Q113 PolarHBondContact O-N 3.22Å; V110-Q113 PolarHBondContact O-N 3.35Å; L111-Q113 VanDerWaalsContact C-N 3.3Å; L111-Q113 PolarHBondContact O-N 3.07Å; Q113-C115 VanDerWaalsContact C-N 3.34Å; Q113-C115 PolarHBondContact O-N 3.1Å; Q113-S116 PolarHBondContact O-N 3.02Å; Q113-N117 PolarHBondContact NE2-OD1 2.92Å; Q113-N117 WeakPolarHBondContact O-CB 3.47Å; Q113-N117 PolarHBondContact O-N 2.95Å; Q113-N117 PolarHBondContact O-OD1 3.48Å
114M97.8Very high95.7Very high1 Ų121.5 Ų21.51%0.00510%0.103CC..Hα-helixtrans-60.4-43.1175.5-68.7179.9173.700111.7L35 C63 L90 F93 V110 L111 S116 N117 L118L35-M114 HydrophobicContact CD1-CE 3.75Å; L35-M114 HydrophobicContact CD1-CG 4.15Å; L35-M114 HydrophobicContact CD2-CE 4.44Å; C63-M114 HydrophobicContact CB-CE 3.67Å; L90-M114 HydrophobicContact CD1-CB 3.94Å; L90-M114 HydrophobicContact CD1-SD 4.42Å; F93-M114 HydrophobicContact CB-CE 4.07Å; F93-M114 HydrophobicContact CB-SD 3.68Å; F93-M114 HydrophobicContact CD1-SD 4.08Å; F93-M114 HydrophobicContact CD2-CE 3.76Å; F93-M114 HydrophobicContact CD2-SD 4.05Å; F93-M114 HydrophobicContact CE2-CE 4.38Å; F93-M114 HydrophobicContact CG-CE 3.98Å; F93-M114 HydrophobicContact CG-SD 3.67Å; V110-M114 HydrophobicContact CG1-CE 3.69Å; V110-M114 HydrophobicContact CG1-SD 4.23Å; V110-M114 WeakPolarHBondContact O-CG 3.33Å; V110-M114 PolarHBondContact O-N 3.36Å; L111-M114 PolarHBondContact O-N 2.83Å; M114-S116 PolarHBondContact O-N 3.35Å; M114-N117 WeakPolarHBondContact O-CB 3.4Å; M114-N117 PolarHBondContact O-N 3.46Å; M114-L118 WeakPolarHBondContact O-CB 3.36Å; M114-L118 PolarHBondContact O-N 2.94Å
115C97.4Very high95.7Very high0 Ų018.3 Ų18.30%09%0.088CC..Hα-helixtrans-65.2-38.7174.9-62.80000112.4L111 Y112 Q113 L118 R119 I150 L176 T179L111-C115 PolarHBondContact O-N 3.33Å; L111-C115 PolarHBondContact O-SG 2.88Å; Y112-C115 PolarHBondContact O-N 2.65Å; Q113-C115 VanDerWaalsContact C-N 3.34Å; Q113-C115 PolarHBondContact O-N 3.1Å; C115-L118 PolarHBondContact O-N 3.44Å; C115-R119 PolarHBondContact O-N 3.04Å; C115-I150 HydrophobicContact CB-CD1 4.25Å; C115-I150 HydrophobicContact CB-CG1 4.07Å; C115-L176 HydrophobicContact CB-CD2 4.12Å; C115-L176 WeakPolarHBondContact SG-CD2 3.22Å; C115-T179 HydrophobicContact CB-CG2 4.29Å
116S96.2Very high95.6Very high38 Ų3817.5 Ų17.527%0.2668%0.084SC..Hα-helixtrans-65.4-40.6175.7-176.10000112.2Y112 Q113 M114 Y120Y112-S116 WeakPolarHBondContact O-CB 2.93Å; Y112-S116 PolarHBondContact O-N 3.31Å; Q113-S116 PolarHBondContact O-N 3.02Å; M114-S116 PolarHBondContact O-N 3.35Å; S116-Y120 PolarHBondContact O-N 3.38Å
117N97.3Very high95.4Very high2 Ų223.5 Ų23.51%0.01111%0.11CC..Hα-helixtrans-60.6-51.6174.4-76.72000110.7L35 M37 H67 Q113 M114 R119 Y120 V121L35-N117 PolarHBondContact O-ND2 3.36Å; L35-N117 PolarHBondContact O-OD1 2.99Å; M37-N117 HydrophobicContact CE-CB 3.45Å; M37-N117 VanDerWaalsContact CE-CB 3.45Å; H67-N117 PolarHBondContact CE1-ND2 3.31Å; H67-N117 VanDerWaalsContact CE1-ND2 3.26Å; H67-N117 PolarHBondContact ND1-ND2 3.38Å; Q113-N117 PolarHBondContact NE2-OD1 2.92Å; Q113-N117 WeakPolarHBondContact O-CB 3.47Å; Q113-N117 PolarHBondContact O-N 2.95Å; Q113-N117 PolarHBondContact O-OD1 3.48Å; M114-N117 WeakPolarHBondContact O-CB 3.4Å; M114-N117 PolarHBondContact O-N 3.46Å; N117-R119 VanDerWaalsContact C-N 3.32Å; N117-R119 PolarHBondContact O-N 2.66Å; N117-Y120 WeakPolarHBondContact O-CA 3.32Å; N117-Y120 WeakPolarHBondContact O-CB 3.45Å; N117-Y120 PolarHBondContact O-N 3.2Å; N117-V121 WeakPolarHBondContact O-CG2 3.45Å; N117-V121 PolarHBondContact O-N 2.94Å
118L97.5Very high95.2Very high0 Ų028.2 Ų28.20%013%0.132CC..Hα-helixtrans-58-45.2-179.1-174.564.8000111.6L83 E86 L87 L90 M114 C115 Y120 V121 A122 A146 A149 I150L83-L118 HydrophobicContact CD1-CD1 3.55Å; E86-L118 HydrophobicContact CB-CD1 3.81Å; L87-L118 HydrophobicContact CD2-CD1 3.68Å; L87-L118 HydrophobicContact CD2-CD2 3.95Å; L87-L118 HydrophobicContact CD2-CG 4.41Å; L87-L118 HydrophobicContact CG-CD1 3.73Å; L90-L118 HydrophobicContact CD2-CD2 3.67Å; M114-L118 WeakPolarHBondContact O-CB 3.36Å; M114-L118 PolarHBondContact O-N 2.94Å; C115-L118 PolarHBondContact O-N 3.44Å; L118-Y120 PolarHBondContact O-N 3.4Å; L118-V121 PolarHBondContact O-N 3.17Å; L118-A122 VanDerWaalsContact O-CB 3.28Å; L118-A122 WeakPolarHBondContact O-CB 3.29Å; L118-A122 PolarHBondContact O-N 3.27Å; L118-A146 HydrophobicContact CD1-CB 4.47Å; L118-A146 HydrophobicContact CD2-CB 4.11Å; L118-A146 HydrophobicContact CG-CB 3.77Å; L118-A149 HydrophobicContact CD2-CB 3.88Å; L118-I150 HydrophobicContact CD2-CG1 4.25Å
119R95.9Very high94.6Very high44 Ų4430.8 Ų30.817%0.16615%0.15CC..Hα-helixtrans-57.3-48.3172.8-178.5-174.278.4-129.7-10.1111.7C115 N117 A122 C123 T179 I183C115-R119 PolarHBondContact O-N 3.04Å; N117-R119 VanDerWaalsContact C-N 3.32Å; N117-R119 PolarHBondContact O-N 2.66Å; R119-A122 PolarHBondContact O-N 3.02Å; R119-C123 WeakPolarHBondContact O-CB 3.3Å; R119-C123 PolarHBondContact O-N 3.02Å; R119-T179 HydrophobicContact CB-CG2 4.16Å; R119-I183 HydrophobicContact CB-CD1 4.36Å; R119-I183 HydrophobicContact CB-CG1 4.26Å; R119-I183 HydrophobicContact CG-CD1 4.28Å; R119-I183 HydrophobicContact CG-CG1 3.64Å
120Y96.1Very high93.4Very high104 Ų10438.7 Ų38.741%0.40818%0.18SC..Hα-helixtrans-59.1-49.8-178.8172.9-96.5000111.1M37 L74 S116 N117 L118 A122 C123 Q124M37-Y120 HydrophobicContact CE-CD1 4.1Å; M37-Y120 HydrophobicContact CG-CD1 3.92Å; M37-Y120 HydrophobicContact CG-CE1 4.34Å; M37-Y120 HydrophobicContact CG-CG 4.49Å; M37-Y120 HydrophobicContact SD-CD1 4.02Å; M37-Y120 HydrophobicContact SD-CE1 4.31Å; L74-Y120 HydrophobicContact CD1-CE1 4.29Å; S116-Y120 PolarHBondContact O-N 3.38Å; N117-Y120 WeakPolarHBondContact O-CA 3.32Å; N117-Y120 WeakPolarHBondContact O-CB 3.45Å; N117-Y120 PolarHBondContact O-N 3.2Å; L118-Y120 PolarHBondContact O-N 3.4Å; Y120-A122 PolarHBondContact O-N 3.19Å; Y120-C123 PolarHBondContact O-N 2.88Å; Y120-Q124 HydrophobicContact CD1-CG 4.48Å; Y120-Q124 HydrophobicContact CE1-CG 4.08Å; Y120-Q124 HydrophobicContact CE2-CG 4.24Å; Y120-Q124 WeakPolarHBondContact O-CG 3.4Å; Y120-Q124 PolarHBondContact O-N 3.48Å
121V96.6Very high91.8Very high0 Ų043.5 Ų43.50%021%0.205CC..Hα-helixtrans-65-41.5-179.4-175.90000111.7M37 L74 A82 L83 E86 N117 L118 C123 Q124 A125M37-V121 HydrophobicContact CE-CG2 3.4Å; M37-V121 VanDerWaalsContact CE-CG2 3.4Å; L74-V121 HydrophobicContact CD1-CG2 4.11Å; L74-V121 HydrophobicContact CD2-CG1 4.21Å; L74-V121 HydrophobicContact CD2-CG2 4.43Å; A82-V121 HydrophobicContact CB-CG1 3.68Å; L83-V121 HydrophobicContact CB-CG1 3.9Å; L83-V121 HydrophobicContact CD1-CB 4.48Å; L83-V121 HydrophobicContact CD1-CG1 4.41Å; E86-V121 HydrophobicContact CG-CG2 3.89Å; N117-V121 WeakPolarHBondContact O-CG2 3.45Å; N117-V121 PolarHBondContact O-N 2.94Å; L118-V121 PolarHBondContact O-N 3.17Å; V121-C123 PolarHBondContact O-N 3.27Å; V121-Q124 PolarHBondContact O-N 3.29Å; V121-A125 WeakPolarHBondContact O-CB 3.33Å; V121-A125 PolarHBondContact O-N 2.88Å
122A95.6Very high90.1Very high0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-60.8-44.4176.900000112.4L83 L118 R119 Y120 Q124 A125 D126 F142 L143 A146L83-A122 HydrophobicContact CD1-CB 3.94Å; L118-A122 VanDerWaalsContact O-CB 3.28Å; L118-A122 WeakPolarHBondContact O-CB 3.29Å; L118-A122 PolarHBondContact O-N 3.27Å; R119-A122 PolarHBondContact O-N 3.02Å; Y120-A122 PolarHBondContact O-N 3.19Å; A122-Q124 VanDerWaalsContact C-N 3.32Å; A122-Q124 PolarHBondContact O-N 2.99Å; A122-A125 PolarHBondContact O-N 3.45Å; A122-A125 VanDerWaalsContact O-N 3.15Å; A122-D126 PolarHBondContact O-N 3.31Å; A122-F142 HydrophobicContact CB-CB 4.38Å; A122-F142 WeakPolarHBondContact CB-O 3.01Å; A122-L143 HydrophobicContact CB-CD2 3.96Å; A122-L143 HydrophobicContact CB-CG 4.33Å; A122-A146 HydrophobicContact CB-CB 3.66Å
123C93.8Very high88.3Confident48 Ų4856.4 Ų56.432%0.32427%0.274SS..Hα-helixtrans-60.2-42.3175.3-179.30000111.7R119 Y120 V121 K127 L143R119-C123 WeakPolarHBondContact O-CB 3.3Å; R119-C123 PolarHBondContact O-N 3.02Å; Y120-C123 PolarHBondContact O-N 2.88Å; V121-C123 PolarHBondContact O-N 3.27Å; C123-K127 VanDerWaalsContact O-CB 3.27Å; C123-K127 WeakPolarHBondContact O-CB 3.4Å; C123-K127 PolarHBondContact O-N 2.96Å; C123-L143 HydrophobicContact CB-CD2 4.37Å
124Q93.7Very high86.2Confident40 Ų4062.3 Ų62.319%0.18730%0.3CS..Hα-helixtrans-65-40.9175-65.1-63.9102.100111.6Y79 Y120 V121 A122 K127 H128Y79-Q124 HydrophobicContact CD1-CB 3.7Å; Y79-Q124 HydrophobicContact CE1-CB 3.99Å; Y79-Q124 HydrophobicContact CG-CB 4.41Å; Y120-Q124 HydrophobicContact CD1-CG 4.48Å; Y120-Q124 HydrophobicContact CE1-CG 4.08Å; Y120-Q124 HydrophobicContact CE2-CG 4.24Å; Y120-Q124 WeakPolarHBondContact O-CG 3.4Å; Y120-Q124 PolarHBondContact O-N 3.48Å; V121-Q124 PolarHBondContact O-N 3.29Å; A122-Q124 VanDerWaalsContact C-N 3.32Å; A122-Q124 PolarHBondContact O-N 2.99Å; Q124-K127 PolarHBondContact O-N 3.47Å; Q124-H128 WeakPolarHBondContact O-CB 3.41Å; Q124-H128 PolarHBondContact O-CD2 3.06Å; Q124-H128 PolarHBondContact O-N 3.45Å; Q124-H128 VanDerWaalsContact O-N 3.14Å
125A93.4Very high84Confident2 Ų268.3 Ų68.32%0.01733%0.332CS..Hα-helixtrans-62.5-48177.400000111.7V121 A122 H128 S129 F142V121-A125 WeakPolarHBondContact O-CB 3.33Å; V121-A125 PolarHBondContact O-N 2.88Å; A122-A125 PolarHBondContact O-N 3.45Å; A122-A125 VanDerWaalsContact O-N 3.15Å; A125-H128 CarbonylContact O-C 3.57Å; A125-H128 PolarHBondContact O-N 3.21Å; A125-S129 VanDerWaalsContact O-CB 3.3Å; A125-S129 WeakPolarHBondContact O-CB 3.29Å; A125-S129 PolarHBondContact O-N 3.34Å; A125-S129 PolarHBondContact O-OG 2.83Å; A125-F142 HydrophobicContact CB-CB 3.85Å; A125-F142 HydrophobicContact CB-CD1 4.37Å; A125-F142 HydrophobicContact CB-CD2 3.41Å; A125-F142 VanDerWaalsContact CB-CD2 3.41Å; A125-F142 HydrophobicContact CB-CE2 4Å; A125-F142 HydrophobicContact CB-CG 3.61Å
126D91Very high81.9Confident10 Ų1076.9 Ų76.95%0.05337%0.372CS..Hα-helixtrans-63.9-42.4177.7-80.3-26.1000112.3A122 H128 S129 R130 F142 L143A122-D126 PolarHBondContact O-N 3.31Å; D126-H128 PolarHBondContact O-N 3.47Å; D126-S129 WeakPolarHBondContact CA-OG 3.41Å; D126-S129 PolarHBondContact O-N 2.88Å; D126-S129 PolarHBondContact O-OG 3.19Å; D126-R130 VanDerWaalsContact O-CG 3.31Å; D126-R130 WeakPolarHBondContact O-CG 3.27Å; D126-R130 PolarHBondContact O-N 3.44Å; D126-F142 WeakPolarHBondContact OD1-CB 3.43Å; D126-F142 VanDerWaalsContact OD1-CD2 3.29Å; D126-F142 WeakPolarHBondContact OD1-CD2 3.47Å; D126-F142 PolarHBondContact OD1-N 3.26Å; D126-F142 PolarHBondContact OD2-N 3.32Å; D126-L143 VanDerWaalsContact OD2-CB 3.26Å; D126-L143 WeakPolarHBondContact OD2-CB 3.49Å; D126-L143 WeakPolarHBondContact OD2-CD1 3.47Å; D126-L143 WeakPolarHBondContact OD2-CG 3.32Å; D126-L143 PolarHBondContact OD2-N 3.48Å
127K90Very high79.7Confident143 Ų14383.1 Ų83.162%0.62240%0.397SS*.Hα-helixtrans-59.5-32.4177.1-176.6175.4-179.51760112.6C123 Q124C123-K127 VanDerWaalsContact O-CB 3.27Å; C123-K127 WeakPolarHBondContact O-CB 3.4Å; C123-K127 PolarHBondContact O-N 2.96Å; Q124-K127 PolarHBondContact O-N 3.47Å
128H89.5Confident77.5Confident100 Ų10091.3 Ų91.346%0.46344%0.435SS..Hα-helixtrans-100.6-8.4-176.6-75.3-76.8000114.3Y79 Q124 A125 D126Y79-H128 HydrophobicContact CD2-CB 3.48Å; Y79-H128 VanDerWaalsContact CD2-CB 3.48Å; Y79-H128 AromaticContact CD2-CD2 3.78Å; Y79-H128 AromaticContact CD2-CG 3.7Å; Y79-H128 HydrophobicContact CE2-CB 3.51Å; Y79-H128 AromaticContact CE2-CD2 3.13Å; Y79-H128 WeakPolarHBondContact CE2-CD2 3.34Å; Y79-H128 AromaticContact CE2-CG 3.17Å; Y79-H128 AromaticContact CE2-ND1 3.73Å; Y79-H128 AromaticContact CE2-NE2 3.69Å; Y79-H128 HydrophobicContact CG-CB 4.47Å; Y79-H128 AromaticContact CZ-CD2 3.28Å; Y79-H128 AromaticContact CZ-CG 3.82Å; Y79-H128 AromaticContact CZ-NE2 3.49Å; Y79-H128 PolarHBondContact OH-CD2 2.75Å; Y79-H128 PolarHBondContact OH-NE2 3.35Å; Q124-H128 WeakPolarHBondContact O-CB 3.41Å; Q124-H128 PolarHBondContact O-CD2 3.06Å; Q124-H128 PolarHBondContact O-N 3.45Å; Q124-H128 VanDerWaalsContact O-N 3.14Å; A125-H128 CarbonylContact O-C 3.57Å; A125-H128 PolarHBondContact O-N 3.21Å; D126-H128 PolarHBondContact O-N 3.47Å
129S84Confident75.5Confident54 Ų5495.2 Ų95.238%0.37847%0.467SS..Hα-helixtrans-92.8-23174.465.10000113.4A125 D126 L131A125-S129 VanDerWaalsContact O-CB 3.3Å; A125-S129 WeakPolarHBondContact O-CB 3.29Å; A125-S129 PolarHBondContact O-N 3.34Å; A125-S129 PolarHBondContact O-OG 2.83Å; D126-S129 WeakPolarHBondContact CA-OG 3.41Å; D126-S129 PolarHBondContact O-N 2.88Å; D126-S129 PolarHBondContact O-OG 3.19Å; S129-L131 PolarHBondContact O-N 3.46Å
130R70.1Confident74.2Confident168 Ų16895.3 Ų95.363%0.63448%0.482SS*.  trans-65.279.7171.3-69176-162-170.66.6109.9D126D126-R130 VanDerWaalsContact O-CG 3.31Å; D126-R130 WeakPolarHBondContact O-CG 3.27Å; D126-R130 PolarHBondContact O-N 3.44Å
131L62.8Low73.8Confident101 Ų10192 Ų9253%0.52947%0.474SS..  trans-67.2134.9161.2-72.1171.5000107.2S129 F133 F134S129-L131 PolarHBondContact O-N 3.46Å; L131-F133 PolarHBondContact O-N 2.99Å; L131-F134 HydrophobicContact CB-CB 4.31Å; L131-F134 HydrophobicContact CB-CD2 4.05Å; L131-F134 HydrophobicContact CD1-CD2 3.64Å; L131-F134 HydrophobicContact CD1-CE2 4.01Å; L131-F134 PolarHBondContact O-N 2.93Å
132P60.2Low73.6Confident115 Ų11593.2 Ų93.275%0.74748%0.479SS*.THydrogen-bonded Turntrans-61.6-7.2-176.120.9-30.7000114.7
133F59Low73.5Confident193 Ų19393.9 Ų93.985%0.84648%0.483SS*.THydrogen-bonded Turntrans-121.4-1.1-176-61.5-74.2000114.4L131L131-F133 PolarHBondContact O-N 2.99Å
134F52.3Low73.5Confident145 Ų14597.3 Ų97.364%0.63649%0.494SS*.SBendtrans-98121.7175.2-91-92.6000109.5L131 E136L131-F134 HydrophobicContact CB-CB 4.31Å; L131-F134 HydrophobicContact CB-CD2 4.05Å; L131-F134 HydrophobicContact CD1-CD2 3.64Å; L131-F134 HydrophobicContact CD1-CE2 4.01Å; L131-F134 PolarHBondContact O-N 2.93Å; F134-E136 PolarHBondContact O-N 2.82Å
135D51.7Low73.5Confident127 Ų12799.4 Ų99.468%0.67950%0.504SS*.  trans-47.9131.3176.9-125.5-28000110.4Q137D135-Q137 PolarHBondContact O-N 3.41Å
136E54Low73.7Confident181 Ų18199.3 Ų99.385%0.84650%0.503SS*.THydrogen-bonded Turntrans-57.7-5.3-175-68.7-177.8146.300114.1F134F134-E136 PolarHBondContact O-N 2.82Å
137Q50Low73.9Confident168 Ų16899.8 Ų99.879%0.78551%0.508SS*.THydrogen-bonded Turntrans-105.2-11.4-160-62.8-175.7-0.800116.2D135D135-Q137 PolarHBondContact O-N 3.41Å
138Q50Low74.2Confident175 Ų17595.9 Ų95.982%0.81850%0.503SS*.SBendtrans-86.9-14.1-167.8-82.2-169.5800116.7
139A55.3Low74.6Confident82 Ų8292.3 Ų92.368%0.67849%0.49SS*.SBendtrans-139.6125.1171.700000108.9S141A139-S141 PolarHBondContact O-N 3.31Å
140G68.9Low75.2Confident46 Ų4689.7 Ų89.747%0.47447%0.472SS..  trans-49.1134.6172.200000109.7E144G140-E144 WeakPolarHBondContact CA-OE2 3.04Å
141S87.5Confident76.5Confident34 Ų3485.2 Ų85.224%0.23846%0.46CS..  trans-55.6149.9-168.863.90000111.4A139 L143 E144 Q145A139-S141 PolarHBondContact O-N 3.31Å; S141-L143 PolarHBondContact O-N 3.11Å; S141-E144 PolarHBondContact N-OE2 3.43Å; S141-E144 WeakPolarHBondContact O-CB 3.38Å; S141-E144 PolarHBondContact O-N 3.5Å; S141-E144 VanDerWaalsContact OG-CD 3.27Å; S141-E144 WeakPolarHBondContact OG-CG 3.3Å; S141-E144 PolarHBondContact OG-N 3.12Å; S141-E144 VanDerWaalsContact OG-N 3.09Å; S141-E144 PolarHBondContact OG-OE1 2.7Å; S141-E144 VanDerWaalsContact OG-OE1 3.09Å; S141-Q145 PolarHBondContact O-N 3.11Å
142F93.3Very high78.1Confident25 Ų2582.6 Ų82.611%0.1145%0.454CS..Hα-helixtrans-61.8-30.1175-69.1-61000111.2Q80 L83 A122 A125 D126 Q145 A146Q80-F142 HydrophobicContact CB-CE1 4.26Å; Q80-F142 HydrophobicContact CB-CZ 4.08Å; Q80-F142 HydrophobicContact CG-CE1 3.76Å; Q80-F142 HydrophobicContact CG-CZ 3.91Å; L83-F142 HydrophobicContact CD2-CB 3.62Å; L83-F142 HydrophobicContact CD2-CD1 3.32Å; L83-F142 HydrophobicContact CD2-CE1 4.26Å; L83-F142 HydrophobicContact CD2-CG 3.78Å; A122-F142 HydrophobicContact CB-CB 4.38Å; A122-F142 WeakPolarHBondContact CB-O 3.01Å; A125-F142 HydrophobicContact CB-CB 3.85Å; A125-F142 HydrophobicContact CB-CD1 4.37Å; A125-F142 HydrophobicContact CB-CD2 3.41Å; A125-F142 VanDerWaalsContact CB-CD2 3.41Å; A125-F142 HydrophobicContact CB-CE2 4Å; A125-F142 HydrophobicContact CB-CG 3.61Å; D126-F142 WeakPolarHBondContact OD1-CB 3.43Å; D126-F142 VanDerWaalsContact OD1-CD2 3.29Å; D126-F142 WeakPolarHBondContact OD1-CD2 3.47Å; D126-F142 PolarHBondContact OD1-N 3.26Å; D126-F142 PolarHBondContact OD2-N 3.32Å; F142-Q145 PolarHBondContact O-N 3.39Å; F142-A146 PolarHBondContact O-N 3.03Å
143L93.1Very high79.8Confident14 Ų1477.2 Ų77.27%0.07342%0.418CS..Hα-helixtrans-62.7-38.8170.2-78.9170.5000113.5A122 C123 D126 S141 Q145 A146 A147 I183 A186A122-L143 HydrophobicContact CB-CD2 3.96Å; A122-L143 HydrophobicContact CB-CG 4.33Å; C123-L143 HydrophobicContact CB-CD2 4.37Å; D126-L143 VanDerWaalsContact OD2-CB 3.26Å; D126-L143 WeakPolarHBondContact OD2-CB 3.49Å; D126-L143 WeakPolarHBondContact OD2-CD1 3.47Å; D126-L143 WeakPolarHBondContact OD2-CG 3.32Å; D126-L143 PolarHBondContact OD2-N 3.48Å; S141-L143 PolarHBondContact O-N 3.11Å; L143-Q145 VanDerWaalsContact C-N 3.34Å; L143-A146 PolarHBondContact O-N 2.89Å; L143-A147 WeakPolarHBondContact O-CB 3.38Å; L143-A147 PolarHBondContact O-N 3Å; L143-I183 HydrophobicContact CB-CG2 3.91Å; L143-I183 HydrophobicContact CD2-CB 4.36Å; L143-I183 HydrophobicContact CD2-CG1 4.02Å; L143-I183 HydrophobicContact CD2-CG2 3.93Å; L143-I183 HydrophobicContact CG-CG2 4.41Å; L143-A186 HydrophobicContact CD1-CB 3.9Å
144E93.3Very high81.5Confident121 Ų12171 Ų7157%0.56539%0.39SS*.Hα-helixtrans-62.3-41.4173.2-80.6158.5-142.200111.8G140 S141 A146 A147 A148G140-E144 WeakPolarHBondContact CA-OE2 3.04Å; S141-E144 PolarHBondContact N-OE2 3.43Å; S141-E144 WeakPolarHBondContact O-CB 3.38Å; S141-E144 PolarHBondContact O-N 3.5Å; S141-E144 VanDerWaalsContact OG-CD 3.27Å; S141-E144 WeakPolarHBondContact OG-CG 3.3Å; S141-E144 PolarHBondContact OG-N 3.12Å; S141-E144 VanDerWaalsContact OG-N 3.09Å; S141-E144 PolarHBondContact OG-OE1 2.7Å; S141-E144 VanDerWaalsContact OG-OE1 3.09Å; E144-A146 VanDerWaalsContact C-N 3.34Å; E144-A146 PolarHBondContact O-N 3.05Å; E144-A147 PolarHBondContact O-N 3.33Å; E144-A148 WeakPolarHBondContact O-CB 3.5Å; E144-A148 PolarHBondContact O-N 2.98Å
145Q95.2Very high83.5Confident84 Ų8472.2 Ų72.239%0.39339%0.39SS..Hα-helixtrans-62.3-43.7176.3-63.5176.946.900111.2S141 F142 L143 A148 A149S141-Q145 PolarHBondContact O-N 3.11Å; F142-Q145 PolarHBondContact O-N 3.39Å; L143-Q145 VanDerWaalsContact C-N 3.34Å; Q145-A148 PolarHBondContact O-N 3.08Å; Q145-A149 PolarHBondContact O-N 3.15Å
146A96.3Very high85.4Confident0 Ų067.9 Ų67.90%037%0.367CS..Hα-helixtrans-62.1-44.9174.300000112L118 A122 F142 L143 E144 A148 A149 I150 I183L118-A146 HydrophobicContact CD1-CB 4.47Å; L118-A146 HydrophobicContact CD2-CB 4.11Å; L118-A146 HydrophobicContact CG-CB 3.77Å; A122-A146 HydrophobicContact CB-CB 3.66Å; F142-A146 PolarHBondContact O-N 3.03Å; L143-A146 PolarHBondContact O-N 2.89Å; E144-A146 VanDerWaalsContact C-N 3.34Å; E144-A146 PolarHBondContact O-N 3.05Å; A146-A148 PolarHBondContact O-N 3.29Å; A146-A149 PolarHBondContact O-N 3.45Å; A146-I150 VanDerWaalsContact O-CG1 3.29Å; A146-I150 WeakPolarHBondContact O-CG1 3.46Å; A146-I150 PolarHBondContact O-N 2.95Å; A146-I183 HydrophobicContact CB-CD1 4.32Å
147A95.8Very high87.2Confident19 Ų1959.2 Ų59.216%0.15733%0.326CS..Hα-helixtrans-61.3-43.1178.600000111.7L143 E144 A149 I150 L151 L180 I183L143-A147 WeakPolarHBondContact O-CB 3.38Å; L143-A147 PolarHBondContact O-N 3Å; E144-A147 PolarHBondContact O-N 3.33Å; A147-A149 PolarHBondContact O-N 3.36Å; A147-I150 PolarHBondContact O-N 3.19Å; A147-L151 WeakPolarHBondContact O-CB 3.32Å; A147-L151 VanDerWaalsContact O-CG 3.3Å; A147-L151 WeakPolarHBondContact O-CG 3.23Å; A147-L151 PolarHBondContact O-N 3.28Å; A147-L180 HydrophobicContact CB-CD2 4.16Å; A147-I183 HydrophobicContact CB-CD1 4.35Å; A147-I183 HydrophobicContact CB-CG2 4.16Å
148A96.5Very high89.2Confident62 Ų6254.8 Ų54.851%0.51231%0.307SS..Hα-helixtrans-59.5-44.6177.200000111.9E144 Q145 A146 L151 A152E144-A148 WeakPolarHBondContact O-CB 3.5Å; E144-A148 PolarHBondContact O-N 2.98Å; Q145-A148 PolarHBondContact O-N 3.08Å; A146-A148 PolarHBondContact O-N 3.29Å; A148-L151 PolarHBondContact O-N 2.69Å; A148-A152 PolarHBondContact O-N 3.49Å
149A97.5Very high91Very high24 Ų2450.2 Ų50.220%0.19830%0.295CS..Hα-helixtrans-66.2-40.2177.500000112.6L87 L90 L118 Q145 A146 A147 A152 C153L87-A149 HydrophobicContact CD2-CB 3.78Å; L90-A149 HydrophobicContact CD2-CB 4.06Å; L118-A149 HydrophobicContact CD2-CB 3.88Å; Q145-A149 PolarHBondContact O-N 3.15Å; A146-A149 PolarHBondContact O-N 3.45Å; A147-A149 PolarHBondContact O-N 3.36Å; A149-A152 WeakPolarHBondContact O-CB 3.31Å; A149-A152 PolarHBondContact O-N 3.38Å; A149-C153 PolarHBondContact O-N 3.24Å; A149-C153 PolarHBondContact O-SG 3.44Å; A149-C153 VanDerWaalsContact O-SG 3.38Å
150I97.4Very high92.1Very high0 Ų047 Ų470%027%0.266CS..Hα-helixtrans-67.4-39.5176.4-66.5164.5000110.9C115 L118 A146 A147 A152 C153 Y154 L176 T179 L180 I183C115-I150 HydrophobicContact CB-CD1 4.25Å; C115-I150 HydrophobicContact CB-CG1 4.07Å; L118-I150 HydrophobicContact CD2-CG1 4.25Å; A146-I150 VanDerWaalsContact O-CG1 3.29Å; A146-I150 WeakPolarHBondContact O-CG1 3.46Å; A146-I150 PolarHBondContact O-N 2.95Å; A147-I150 PolarHBondContact O-N 3.19Å; I150-A152 VanDerWaalsContact C-N 3.3Å; I150-A152 PolarHBondContact O-N 2.95Å; I150-C153 WeakPolarHBondContact O-CB 3.39Å; I150-C153 PolarHBondContact O-N 3.29Å; I150-Y154 WeakPolarHBondContact O-CB 3.46Å; I150-Y154 PolarHBondContact O-N 2.86Å; I150-L176 HydrophobicContact CG2-CB 4.38Å; I150-L176 HydrophobicContact CG2-CD2 4.28Å; I150-T179 HydrophobicContact CD1-CG2 3.79Å; I150-L180 HydrophobicContact CB-CD2 3.99Å; I150-L180 HydrophobicContact CG2-CD1 4.21Å; I150-L180 HydrophobicContact CG2-CD2 3.76Å; I150-L180 HydrophobicContact CG2-CG 3.75Å; I150-I183 HydrophobicContact CD1-CD1 3.6Å
151L96.7Very high92.5Very high73 Ų7354.4 Ų54.438%0.38228%0.28SS..Hα-helixtrans-63.4-34.8175.4-78.9169.1000112.3A147 A148 Y154 R155 L180A147-L151 WeakPolarHBondContact O-CB 3.32Å; A147-L151 VanDerWaalsContact O-CG 3.3Å; A147-L151 WeakPolarHBondContact O-CG 3.23Å; A147-L151 PolarHBondContact O-N 3.28Å; A148-L151 PolarHBondContact O-N 2.69Å; L151-Y154 WeakPolarHBondContact O-CB 3.42Å; L151-Y154 PolarHBondContact O-N 3.33Å; L151-R155 VanDerWaalsContact O-CG 3.31Å; L151-R155 WeakPolarHBondContact O-CG 3.46Å; L151-R155 PolarHBondContact O-N 3.36Å; L151-L180 HydrophobicContact CD2-CD1 3.64Å; L151-L180 HydrophobicContact CD2-CD2 4.34Å; L151-L180 HydrophobicContact CG-CD1 4.14Å; L151-L180 HydrophobicContact CG-CD2 3.95Å
152A96.8Very high92.2Very high47 Ų4760.8 Ų60.839%0.38831%0.311SS..Hα-helixtrans-61.4-46.7173.200000111.3A148 A149 I150 Y154 R155 I156A148-A152 PolarHBondContact O-N 3.49Å; A149-A152 WeakPolarHBondContact O-CB 3.31Å; A149-A152 PolarHBondContact O-N 3.38Å; I150-A152 VanDerWaalsContact C-N 3.3Å; I150-A152 PolarHBondContact O-N 2.95Å; A152-Y154 PolarHBondContact O-N 3.07Å; A152-R155 PolarHBondContact O-N 3.12Å; A152-I156 PolarHBondContact O-N 3.38Å
153C95.7Very high91.6Very high1 Ų161.1 Ų61.11%0.00732%0.315CS..Hα-helixtrans-61.3-44.3174.7-58.30000111.6T94 L98 L111 A149 I150 R155 I156 C157 L176T94-C153 PolarHBondContact OG1-SG 3.28Å; T94-C153 VanDerWaalsContact OG1-SG 3.36Å; L98-C153 HydrophobicContact CD2-CB 3.88Å; L111-C153 HydrophobicContact CD1-CB 4.25Å; A149-C153 PolarHBondContact O-N 3.24Å; A149-C153 PolarHBondContact O-SG 3.44Å; A149-C153 VanDerWaalsContact O-SG 3.38Å; I150-C153 WeakPolarHBondContact O-CB 3.39Å; I150-C153 PolarHBondContact O-N 3.29Å; C153-R155 VanDerWaalsContact C-N 3.33Å; C153-R155 PolarHBondContact O-N 3.4Å; C153-I156 PolarHBondContact O-N 2.88Å; C153-C157 PolarHBondContact O-N 3.12Å; C153-C157 VanDerWaalsContact O-N 3.12Å; C153-C157 PolarHBondContact O-SG 2.97Å; C153-L176 HydrophobicContact CB-CD1 4.27Å
154Y94.3Very high91.1Very high62 Ų6263.5 Ų63.524%0.24333%0.333CS..Hα-helixtrans-56.8-45.4178.3-179.8-87.7000112I150 L151 A152 I156 C157 I158 T173 L176 T177I150-Y154 WeakPolarHBondContact O-CB 3.46Å; I150-Y154 PolarHBondContact O-N 2.86Å; L151-Y154 WeakPolarHBondContact O-CB 3.42Å; L151-Y154 PolarHBondContact O-N 3.33Å; A152-Y154 PolarHBondContact O-N 3.07Å; Y154-I156 VanDerWaalsContact C-N 3.26Å; Y154-I156 PolarHBondContact O-N 3.18Å; Y154-C157 PolarHBondContact O-N 3.36Å; Y154-C157 VanDerWaalsContact O-N 3.16Å; Y154-I158 HydrophobicContact CD1-CD1 4.28Å; Y154-I158 HydrophobicContact CD1-CG2 3.96Å; Y154-I158 HydrophobicContact CE1-CD1 3.97Å; Y154-I158 HydrophobicContact CE1-CG1 4.45Å; Y154-I158 HydrophobicContact CE1-CG2 3.44Å; Y154-I158 VanDerWaalsContact CE1-CG2 3.44Å; Y154-I158 HydrophobicContact CE2-CG2 4.19Å; Y154-I158 PolarHBondContact O-N 3.2Å; Y154-T173 HydrophobicContact CD2-CG2 4.49Å; Y154-T173 HydrophobicContact CE2-CG2 4.16Å; Y154-L176 HydrophobicContact CD2-CB 3.98Å; Y154-L176 HydrophobicContact CD2-CD1 4.45Å; Y154-T177 VanDerWaalsContact CE2-OG1 3.29Å; Y154-T177 WeakPolarHBondContact CE2-OG1 3.23Å
155R94.2Very high90.6Very high171 Ų17165.6 Ų65.665%0.64535%0.347SS*.Hα-helixtrans-58.7-37178.6-75.9174.1-173.7-122.13112.3L151 A152 C153 I158 S159L151-R155 VanDerWaalsContact O-CG 3.31Å; L151-R155 WeakPolarHBondContact O-CG 3.46Å; L151-R155 PolarHBondContact O-N 3.36Å; A152-R155 PolarHBondContact O-N 3.12Å; C153-R155 VanDerWaalsContact C-N 3.33Å; C153-R155 PolarHBondContact O-N 3.4Å; R155-I158 VanDerWaalsContact O-CG1 3.23Å; R155-I158 WeakPolarHBondContact O-CG1 3.5Å; R155-S159 WeakPolarHBondContact O-CB 3.31Å; R155-S159 PolarHBondContact O-N 3.05Å; R155-S159 PolarHBondContact O-OG 2.82Å
156I92.6Very high90Very high36 Ų3669.6 Ų69.619%0.18537%0.366CS..Hα-helixtrans-67.5-50.4175.6-60.8160.7000109.6T94 L98 E99 A152 C153 Y154 I158 S159T94-I156 HydrophobicContact CG2-CD1 3.47Å; T94-I156 VanDerWaalsContact CG2-CD1 3.47Å; L98-I156 HydrophobicContact CD1-CG2 4.36Å; L98-I156 HydrophobicContact CD2-CB 4.13Å; L98-I156 HydrophobicContact CD2-CD1 3.9Å; L98-I156 HydrophobicContact CD2-CG2 4.32Å; L98-I156 HydrophobicContact CG-CB 4.2Å; L98-I156 HydrophobicContact CG-CD1 4.21Å; L98-I156 HydrophobicContact CG-CG2 3.82Å; E99-I156 HydrophobicContact CG-CD1 3.7Å; E99-I156 HydrophobicContact CG-CG1 4.47Å; A152-I156 PolarHBondContact O-N 3.38Å; C153-I156 PolarHBondContact O-N 2.88Å; Y154-I156 VanDerWaalsContact C-N 3.26Å; Y154-I156 PolarHBondContact O-N 3.18Å; I156-I158 VanDerWaalsContact C-N 3.34Å; I156-I158 PolarHBondContact O-N 3.48Å; I156-S159 WeakPolarHBondContact O-CB 3.41Å; I156-S159 PolarHBondContact O-N 3.29Å
157C91.7Very high89.4Confident0 Ų071.9 Ų71.90%038%0.38CS..Hα-helixtrans-60.2-35.4-178.7-64.70000114.5C153 Y154 S159 K169 T173C153-C157 PolarHBondContact O-N 3.12Å; C153-C157 VanDerWaalsContact O-N 3.12Å; C153-C157 PolarHBondContact O-SG 2.97Å; Y154-C157 PolarHBondContact O-N 3.36Å; Y154-C157 VanDerWaalsContact O-N 3.16Å; C157-S159 VanDerWaalsContact C-N 3.31Å; C157-K169 HydrophobicContact CB-CB 4Å; C157-T173 HydrophobicContact CB-CG2 3.92Å
158I90.5Very high89Confident74 Ų7471.4 Ų71.438%0.37938%0.375SS..Hα-helixtrans-76.2-20.7176.662.7169.7000113Y154 R155 I156 D160 T173Y154-I158 HydrophobicContact CD1-CD1 4.28Å; Y154-I158 HydrophobicContact CD1-CG2 3.96Å; Y154-I158 HydrophobicContact CE1-CD1 3.97Å; Y154-I158 HydrophobicContact CE1-CG1 4.45Å; Y154-I158 HydrophobicContact CE1-CG2 3.44Å; Y154-I158 VanDerWaalsContact CE1-CG2 3.44Å; Y154-I158 HydrophobicContact CE2-CG2 4.19Å; Y154-I158 PolarHBondContact O-N 3.2Å; R155-I158 VanDerWaalsContact O-CG1 3.23Å; R155-I158 WeakPolarHBondContact O-CG1 3.5Å; I156-I158 VanDerWaalsContact C-N 3.34Å; I156-I158 PolarHBondContact O-N 3.48Å; I158-D160 PolarHBondContact O-N 3.01Å; I158-T173 HydrophobicContact CG2-CG2 3.5Å
159S88.1Confident88.6Confident80 Ų8068.5 Ų68.556%0.55935%0.351SS*.THydrogen-bonded Turntrans-78.1-7.7-175.9-640000112.8R155 I156 C157 R161R155-S159 WeakPolarHBondContact O-CB 3.31Å; R155-S159 PolarHBondContact O-N 3.05Å; R155-S159 PolarHBondContact O-OG 2.82Å; I156-S159 WeakPolarHBondContact O-CB 3.41Å; I156-S159 PolarHBondContact O-N 3.29Å; C157-S159 VanDerWaalsContact C-N 3.31Å; S159-R161 PolarHBondContact O-N 2.6Å
160D79.4Confident88Confident15 Ų1573.4 Ų73.48%0.0836%0.364CS..  trans-56.497.3168.6-79.516.3000109.6I158 V163 K169 R170I158-D160 PolarHBondContact O-N 3.01Å; D160-V163 HydrophobicContact CB-CG2 4.13Å; D160-K169 WeakPolarHBondContact OD1-CE 3.29Å; D160-K169 IonicContact OD1-NZ 3.58Å; D160-K169 VanDerWaalsContact OD2-CB 3.28Å; D160-K169 WeakPolarHBondContact OD2-CB 3.46Å; D160-K169 VanDerWaalsContact OD2-CE 3.29Å; D160-K169 WeakPolarHBondContact OD2-CE 3.32Å; D160-K169 PolarHBondContact OD2-N 3.11Å; D160-K169 IonicContact OD2-NZ 2.65Å; D160-R170 PolarHBondContact O-NE 2.78Å; D160-R170 PolarHBondContact O-NH2 3.49Å
161R76.6Confident87.4Confident201 Ų20176.8 Ų76.876%0.75839%0.385SS*.  trans-105.6139.4170.1-65.9-179.7-176.4-175.61.1107.5S159 V163S159-R161 PolarHBondContact O-N 2.6Å; R161-V163 VanDerWaalsContact C-N 3.25Å; R161-V163 PolarHBondContact O-N 3.21Å
162N80.4Confident86.7Confident168 Ų16873.3 Ų73.390%0.89837%0.366SS*.SBendtrans66.815.5175.4-46.6-34.6000116.3
163V81.9Confident86.3Confident31 Ų3172.1 Ų72.119%0.18835%0.354CS..  trans-86.4142.5172.4-176.20000109.5E103 D160 R161 V167E103-V163 HydrophobicContact CG-CG2 4.41Å; D160-V163 HydrophobicContact CB-CG2 4.13Å; R161-V163 VanDerWaalsContact C-N 3.25Å; R161-V163 PolarHBondContact O-N 3.21Å; V163-V167 HydrophobicContact CG1-CB 4.49Å; V163-V167 HydrophobicContact CG1-CG2 3.36Å
164S83.1Confident86Confident64 Ų6477.6 Ų77.645%0.44838%0.383SS..  trans-60.9153176.976.60000111.3E166 V167 T168S164-E166 PolarHBondContact O-N 2.98Å; S164-E166 VanDerWaalsContact O-N 3.15Å; S164-V167 PolarHBondContact O-N 3.44Å; S164-V167 WeakPolarHBondContact OG-CG2 3.36Å; S164-T168 WeakPolarHBondContact O-CB 3.31Å; S164-T168 PolarHBondContact O-N 3.45Å
165L81.6Confident85.8Confident166 Ų16677.9 Ų77.987%0.86939%0.389SS*.THydrogen-bonded Turntrans-61.6-23.6-178.5-72.7167.8000113.1T168L165-T168 WeakPolarHBondContact O-CG2 3.43Å
166E82.3Confident85.7Confident168 Ų16869.8 Ų69.879%0.78536%0.358SS*.THydrogen-bonded Turntrans-75.3-34.5-178.1-61.9178.5178.900112.3N105 S164N105-E166 PolarHBondContact ND2-O 2.96Å; S164-E166 PolarHBondContact O-N 2.98Å; S164-E166 VanDerWaalsContact O-N 3.15Å
167V84.7Confident85.7Confident48 Ų4869.8 Ų69.829%0.29136%0.36SS..THydrogen-bonded Turntrans-113.91.5-173.8-52.70000113.7E103 N105 V163 S164E103-V167 VanDerWaalsContact O-CB 3.3Å; E103-V167 WeakPolarHBondContact O-CB 3.48Å; E103-V167 WeakPolarHBondContact O-CG2 3.33Å; N105-V167 WeakPolarHBondContact CB-O 3.45Å; N105-V167 VanDerWaalsContact ND2-CA 3.35Å; N105-V167 WeakPolarHBondContact ND2-CA 3.33Å; V163-V167 HydrophobicContact CG1-CB 4.49Å; V163-V167 HydrophobicContact CG1-CG2 3.36Å; S164-V167 PolarHBondContact O-N 3.44Å; S164-V167 WeakPolarHBondContact OG-CG2 3.36Å
168T86.2Confident85.7Confident9 Ų973.9 Ų73.96%0.05538%0.382CS..  trans-64140.5177.3-173.30000112.3N105 S164 L165 R170N105-T168 PolarHBondContact ND2-O 2.66Å; S164-T168 WeakPolarHBondContact O-CB 3.31Å; S164-T168 PolarHBondContact O-N 3.45Å; L165-T168 WeakPolarHBondContact O-CG2 3.43Å; T168-R170 HydrophobicContact CG2-CB 4.06Å; T168-R170 PolarHBondContact O-N 3.23Å; T168-R170 WeakPolarHBondContact OG1-CB 3.48Å; T168-R170 VanDerWaalsContact OG1-CG 3.28Å; T168-R170 WeakPolarHBondContact OG1-CG 3.45Å; T168-R170 PolarHBondContact OG1-N 2.93Å; T168-R170 VanDerWaalsContact OG1-N 3.14Å
169K89.1Confident85.8Confident1 Ų171 Ų710%0.00437%0.368CS..THydrogen-bonded Turntrans-77.2-6.3169.3-71.5167.4-92.5-65.40113.2L98 C101 K102 E104 N105 F107 L108 C157 D160 V171 G172L98-K169 HydrophobicContact CD1-CD 3.73Å; C101-K169 PolarHBondContact O-NZ 3.32Å; K102-K169 WeakPolarHBondContact O-CE 3.42Å; K102-K169 PolarHBondContact O-NZ 2.9Å; E104-K169 PolarHBondContact O-NZ 3.07Å; N105-K169 HydrophobicContact CB-CG 4.41Å; F107-K169 HydrophobicContact CE2-CD 4.26Å; F107-K169 HydrophobicContact CZ-CD 3.92Å; F107-K169 HydrophobicContact CZ-CG 4.36Å; L108-K169 HydrophobicContact CD2-CG 4.3Å; C157-K169 HydrophobicContact CB-CB 4Å; D160-K169 WeakPolarHBondContact OD1-CE 3.29Å; D160-K169 IonicContact OD1-NZ 3.58Å; D160-K169 VanDerWaalsContact OD2-CB 3.28Å; D160-K169 WeakPolarHBondContact OD2-CB 3.46Å; D160-K169 VanDerWaalsContact OD2-CE 3.29Å; D160-K169 WeakPolarHBondContact OD2-CE 3.32Å; D160-K169 PolarHBondContact OD2-N 3.11Å; D160-K169 IonicContact OD2-NZ 2.65Å; K169-V171 PolarHBondContact O-N 2.9Å; K169-G172 WeakPolarHBondContact O-CA 3.3Å; K169-G172 PolarHBondContact O-N 3.22Å
170R85.3Confident86Confident126 Ų12668.7 Ų68.748%0.47535%0.349SS..Hα-helixtrans-58.1-31.1178.4-71176.7-175.8-169.31.4112.3D160 T168 G172 T173D160-R170 PolarHBondContact O-NE 2.78Å; D160-R170 PolarHBondContact O-NH2 3.49Å; T168-R170 HydrophobicContact CG2-CB 4.06Å; T168-R170 PolarHBondContact O-N 3.23Å; T168-R170 WeakPolarHBondContact OG1-CB 3.48Å; T168-R170 VanDerWaalsContact OG1-CG 3.28Å; T168-R170 WeakPolarHBondContact OG1-CG 3.45Å; T168-R170 PolarHBondContact OG1-N 2.93Å; T168-R170 VanDerWaalsContact OG1-N 3.14Å; R170-G172 PolarHBondContact O-N 3.35Å; R170-T173 WeakPolarHBondContact O-CB 3.29Å; R170-T173 WeakPolarHBondContact O-CG2 3.12Å; R170-T173 PolarHBondContact O-N 2.76Å; R170-T173 PolarHBondContact O-OG1 2.8Å
171V84.4Confident86.6Confident72 Ų7273.4 Ų73.444%0.43637%0.369SS..Hα-helixtrans-58-30.5172.369.60000112.3L108 K169 T173L108-V171 HydrophobicContact CD1-CG1 3.55Å; K169-V171 PolarHBondContact O-N 2.9Å; V171-T173 VanDerWaalsContact C-N 3.33Å; V171-T173 PolarHBondContact O-N 3.39Å
172G82.8Confident87.2Confident0 Ų071.1 Ų71.10%036%0.36CS..Hα-helixtrans-74-20176.400000115.2Y112 K169 R170 L174 N175 L176Y112-G172 WeakPolarHBondContact OH-CA 3.41Å; Y112-G172 PolarHBondContact OH-N 3.1Å; K169-G172 WeakPolarHBondContact O-CA 3.3Å; K169-G172 PolarHBondContact O-N 3.22Å; R170-G172 PolarHBondContact O-N 3.35Å; G172-L174 PolarHBondContact O-N 3.47Å; G172-N175 PolarHBondContact O-N 2.92Å; G172-N175 VanDerWaalsContact O-N 3.12Å; G172-L176 WeakPolarHBondContact O-CG 3.35Å; G172-L176 PolarHBondContact O-N 3.03Å
173T88.2Confident87.5Confident22 Ų2263.8 Ų63.814%0.13532%0.321CS..Hα-helixtrans-62-35.3179.266.90000111.3Y154 C157 I158 R170 V171 N175 L176 T177Y154-T173 HydrophobicContact CD2-CG2 4.49Å; Y154-T173 HydrophobicContact CE2-CG2 4.16Å; C157-T173 HydrophobicContact CB-CG2 3.92Å; I158-T173 HydrophobicContact CG2-CG2 3.5Å; R170-T173 WeakPolarHBondContact O-CB 3.29Å; R170-T173 WeakPolarHBondContact O-CG2 3.12Å; R170-T173 PolarHBondContact O-N 2.76Å; R170-T173 PolarHBondContact O-OG1 2.8Å; V171-T173 VanDerWaalsContact C-N 3.33Å; V171-T173 PolarHBondContact O-N 3.39Å; T173-N175 PolarHBondContact O-N 3.45Å; T173-L176 PolarHBondContact O-N 3.27Å; T173-T177 VanDerWaalsContact O-CB 3.27Å; T173-T177 WeakPolarHBondContact O-CB 3.28Å; T173-T177 PolarHBondContact O-N 3.29Å; T173-T177 PolarHBondContact O-OG1 3Å
174L89.2Confident87.7Confident116 Ų11671.2 Ų71.261%0.60735%0.347SS*.Hα-helixtrans-59.7-45.2174.7-67.6171000112.3G172 N178G172-L174 PolarHBondContact O-N 3.47Å; L174-N178 WeakPolarHBondContact O-CB 3.42Å; L174-N178 VanDerWaalsContact O-CG 3.22Å; L174-N178 PolarHBondContact O-N 3.33Å; L174-N178 PolarHBondContact O-ND2 3.43Å
175N89.4Confident87.8Confident68 Ų6875.6 Ų75.636%0.36436%0.358SS..Hα-helixtrans-67.6-40.5179.1-81.3-75.2000112.1Y112 G172 T173 T179Y112-N175 HydrophobicContact CD1-CB 3.57Å; Y112-N175 HydrophobicContact CD2-CB 4.25Å; Y112-N175 HydrophobicContact CE1-CB 3.54Å; Y112-N175 HydrophobicContact CE2-CB 4.23Å; Y112-N175 WeakPolarHBondContact CE2-ND2 3.34Å; Y112-N175 HydrophobicContact CG-CB 3.95Å; G172-N175 PolarHBondContact O-N 2.92Å; G172-N175 VanDerWaalsContact O-N 3.12Å; T173-N175 PolarHBondContact O-N 3.45Å; N175-T179 PolarHBondContact O-N 3.12Å; N175-T179 PolarHBondContact O-OG1 3.32Å
176L91.7Very high87.7Confident0 Ų072.2 Ų72.20%035%0.354CS..Hα-helixtrans-68-44.6177.7-63.1-176.7000111.3L111 C115 I150 C153 Y154 G172 T173 N178 T179 L180L111-L176 HydrophobicContact CD2-CD1 4.45Å; L111-L176 HydrophobicContact CG-CD2 4.48Å; C115-L176 HydrophobicContact CB-CD2 4.12Å; C115-L176 WeakPolarHBondContact SG-CD2 3.22Å; I150-L176 HydrophobicContact CG2-CB 4.38Å; I150-L176 HydrophobicContact CG2-CD2 4.28Å; C153-L176 HydrophobicContact CB-CD1 4.27Å; Y154-L176 HydrophobicContact CD2-CB 3.98Å; Y154-L176 HydrophobicContact CD2-CD1 4.45Å; G172-L176 WeakPolarHBondContact O-CG 3.35Å; G172-L176 PolarHBondContact O-N 3.03Å; T173-L176 PolarHBondContact O-N 3.27Å; L176-N178 PolarHBondContact O-N 2.81Å; L176-T179 WeakPolarHBondContact O-CA 3.49Å; L176-T179 WeakPolarHBondContact O-CB 3.28Å; L176-T179 PolarHBondContact O-N 3.16Å; L176-L180 WeakPolarHBondContact O-CG 3.4Å; L176-L180 PolarHBondContact O-N 2.67Å
177T93Very high87.9Confident36 Ų3667.5 Ų67.522%0.22133%0.333CS..Hα-helixtrans-57.9-45.5174.2-65.30000111.7Y154 T173 T179 L180 F181Y154-T177 VanDerWaalsContact CE2-OG1 3.29Å; Y154-T177 WeakPolarHBondContact CE2-OG1 3.23Å; T173-T177 VanDerWaalsContact O-CB 3.27Å; T173-T177 WeakPolarHBondContact O-CB 3.28Å; T173-T177 PolarHBondContact O-N 3.29Å; T173-T177 PolarHBondContact O-OG1 3Å; T177-T179 VanDerWaalsContact C-N 3.26Å; T177-T179 PolarHBondContact O-N 3.02Å; T177-L180 PolarHBondContact O-N 3.36Å; T177-F181 HydrophobicContact CG2-CD2 3.76Å; T177-F181 HydrophobicContact CG2-CE2 3.32Å; T177-F181 HydrophobicContact CG2-CZ 3.92Å; T177-F181 WeakPolarHBondContact O-CD2 3.44Å; T177-F181 PolarHBondContact O-N 3.15Å
178N92.1Very high88.1Confident87 Ų8768.5 Ų68.547%0.46534%0.335SS..Hα-helixtrans-60.8-36.6175-75.2-22.5000112.4L174 L176 R182L174-N178 WeakPolarHBondContact O-CB 3.42Å; L174-N178 VanDerWaalsContact O-CG 3.22Å; L174-N178 PolarHBondContact O-N 3.33Å; L174-N178 PolarHBondContact O-ND2 3.43Å; L176-N178 PolarHBondContact O-N 2.81Å; N178-R182 WeakPolarHBondContact O-CG 3.45Å; N178-R182 PolarHBondContact O-N 3.14Å
179T91.6Very high88.2Confident14 Ų1471.8 Ų71.89%0.08635%0.351CS..Hα-helixtrans-68.8-41.2176.5-57.70000111.3C115 R119 I150 N175 L176 T177 R182 I183C115-T179 HydrophobicContact CB-CG2 4.29Å; R119-T179 HydrophobicContact CB-CG2 4.16Å; I150-T179 HydrophobicContact CD1-CG2 3.79Å; N175-T179 PolarHBondContact O-N 3.12Å; N175-T179 PolarHBondContact O-OG1 3.32Å; L176-T179 WeakPolarHBondContact O-CA 3.49Å; L176-T179 WeakPolarHBondContact O-CB 3.28Å; L176-T179 PolarHBondContact O-N 3.16Å; T177-T179 VanDerWaalsContact C-N 3.26Å; T177-T179 PolarHBondContact O-N 3.02Å; T179-R182 PolarHBondContact O-N 3.17Å; T179-I183 PolarHBondContact O-N 3.39Å; T179-I183 VanDerWaalsContact O-N 3.15Å
180L93.1Very high88.2Confident31 Ų3175.9 Ų75.916%0.16237%0.371CS..Hα-helixtrans-64.1-43.3175.5-70.7166.6000112.1A147 I150 L151 L176 T177 R182 I183 Y184A147-L180 HydrophobicContact CB-CD2 4.16Å; I150-L180 HydrophobicContact CB-CD2 3.99Å; I150-L180 HydrophobicContact CG2-CD1 4.21Å; I150-L180 HydrophobicContact CG2-CD2 3.76Å; I150-L180 HydrophobicContact CG2-CG 3.75Å; L151-L180 HydrophobicContact CD2-CD1 3.64Å; L151-L180 HydrophobicContact CD2-CD2 4.34Å; L151-L180 HydrophobicContact CG-CD1 4.14Å; L151-L180 HydrophobicContact CG-CD2 3.95Å; L176-L180 WeakPolarHBondContact O-CG 3.4Å; L176-L180 PolarHBondContact O-N 2.67Å; T177-L180 PolarHBondContact O-N 3.36Å; L180-R182 VanDerWaalsContact C-N 3.3Å; L180-R182 PolarHBondContact O-N 3.02Å; L180-I183 WeakPolarHBondContact O-CB 3.17Å; L180-I183 PolarHBondContact O-N 3.42Å; L180-Y184 PolarHBondContact O-N 2.94Å
181F92.2Very high88.3Confident113 Ų11372.8 Ų72.850%0.49636%0.364SS..Hα-helixtrans-59.9-41.5174.8-75.2-43.3000112T177 I183 Y184 F185T177-F181 HydrophobicContact CG2-CD2 3.76Å; T177-F181 HydrophobicContact CG2-CE2 3.32Å; T177-F181 HydrophobicContact CG2-CZ 3.92Å; T177-F181 WeakPolarHBondContact O-CD2 3.44Å; T177-F181 PolarHBondContact O-N 3.15Å; F181-I183 PolarHBondContact O-N 3.25Å; F181-Y184 PolarHBondContact O-N 2.72Å; F181-F185 HydrophobicContact CB-CD2 4.34Å; F181-F185 HydrophobicContact CB-CE2 4.39Å; F181-F185 HydrophobicContact CD1-CE2 4.28Å; F181-F185 WeakPolarHBondContact O-CD2 3.32Å; F181-F185 PolarHBondContact O-N 3.28Å
182R88.7Confident88.6Confident153 Ų15372.9 Ų72.958%0.57736%0.36SS*.Hα-helixtrans-65.5-25.2175.8-72.3172.4-178.4-170.86.7113.5N178 T179 L180 A186N178-R182 WeakPolarHBondContact O-CG 3.45Å; N178-R182 PolarHBondContact O-N 3.14Å; T179-R182 PolarHBondContact O-N 3.17Å; L180-R182 VanDerWaalsContact C-N 3.3Å; L180-R182 PolarHBondContact O-N 3.02Å; R182-A186 WeakPolarHBondContact O-CB 3.14Å
183I87.5Confident89Confident15 Ų1578.1 Ų78.18%0.07739%0.385CS..Hα-helixtrans-73.9-45.7171.2-71.6167.8000109.9R119 L143 A146 A147 I150 T179 L180 F181 F185 A186R119-I183 HydrophobicContact CB-CD1 4.36Å; R119-I183 HydrophobicContact CB-CG1 4.26Å; R119-I183 HydrophobicContact CG-CD1 4.28Å; R119-I183 HydrophobicContact CG-CG1 3.64Å; L143-I183 HydrophobicContact CB-CG2 3.91Å; L143-I183 HydrophobicContact CD2-CB 4.36Å; L143-I183 HydrophobicContact CD2-CG1 4.02Å; L143-I183 HydrophobicContact CD2-CG2 3.93Å; L143-I183 HydrophobicContact CG-CG2 4.41Å; A146-I183 HydrophobicContact CB-CD1 4.32Å; A147-I183 HydrophobicContact CB-CD1 4.35Å; A147-I183 HydrophobicContact CB-CG2 4.16Å; I150-I183 HydrophobicContact CD1-CD1 3.6Å; T179-I183 PolarHBondContact O-N 3.39Å; T179-I183 VanDerWaalsContact O-N 3.15Å; L180-I183 WeakPolarHBondContact O-CB 3.17Å; L180-I183 PolarHBondContact O-N 3.42Å; F181-I183 PolarHBondContact O-N 3.25Å; I183-F185 VanDerWaalsContact C-N 3.31Å; I183-F185 PolarHBondContact O-N 3.38Å; I183-A186 WeakPolarHBondContact O-CB 3.43Å; I183-A186 PolarHBondContact O-N 2.85Å
184Y85.6Confident89.1Confident186 Ų18682.4 Ų82.473%0.72940%0.404SS*.Hα-helixtrans-64.5-33.9-177.4-174.8-97.5000113.4L180 F181L180-Y184 PolarHBondContact O-N 2.94Å; F181-Y184 PolarHBondContact O-N 2.72Å
185F84.6Confident89.1Confident157 Ų15779.6 Ų79.669%0.68939%0.388SS*.THydrogen-bonded Turntrans-97.314.9178.5-63.7-64.9000114.1F181 I183F181-F185 HydrophobicContact CB-CD2 4.34Å; F181-F185 HydrophobicContact CB-CE2 4.39Å; F181-F185 HydrophobicContact CD1-CE2 4.28Å; F181-F185 WeakPolarHBondContact O-CD2 3.32Å; F181-F185 PolarHBondContact O-N 3.28Å; I183-F185 VanDerWaalsContact C-N 3.31Å; I183-F185 PolarHBondContact O-N 3.38Å
186A79.2Confident89Confident95 Ų9580.6 Ų80.679%0.78539%0.39SS*.  trans-80.80-179.300000113.9L143 R182 I183L143-A186 HydrophobicContact CD1-CB 3.9Å; R182-A186 WeakPolarHBondContact O-CB 3.14Å; I183-A186 WeakPolarHBondContact O-CB 3.43Å; I183-A186 PolarHBondContact O-N 2.85Å

Retrieved 186 of 186 residues in 78.9 ms (Link to these results)

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