A0A087XUD9_POEFO Loading...

D(1B) dopamine receptor

Dopamine receptor whose activity is mediated by G proteins which activate adenylyl cyclase.

AlphaFold DB , UniProt , Accession A0A087XUD9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 373 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
1R83.8Confident90.3Very high203 Ų20382.1 Ų82.177%0.76646%0.461SS*.  0-63.60-68.2-172.1-179.2165.30.1111.6L3 T4 G5R1-L3 PolarHBondContact O-N 3.06Å; R1-T4 WeakPolarHBondContact O-CB 3.47Å; R1-T4 PolarHBondContact O-N 3.22Å; R1-G5 PolarHBondContact O-N 2.94Å
2A85.7Confident90.7Very high82 Ų8276.8 Ų76.868%0.67843%0.43SS*.Hα-helixtrans-57.9-5017800000113.4T4 G5 C6A2-T4 PolarHBondContact O-N 2.93Å; A2-G5 PolarHBondContact O-N 3.23Å; A2-C6 PolarHBondContact O-N 3.27Å; A2-C6 PolarHBondContact O-SG 3.21Å; A2-C6 VanDerWaalsContact O-SG 3.33Å
3L89.8Confident91Very high137 Ų13777.8 Ų77.872%0.71743%0.432SS*.Hα-helixtrans-57-46.7175.9-179.165000112.3R1 C6 V7R1-L3 PolarHBondContact O-N 3.06Å; L3-C6 PolarHBondContact O-N 2.8Å; L3-V7 WeakPolarHBondContact O-CG2 3.41Å; L3-V7 PolarHBondContact O-N 2.96Å
4T86.8Confident91.2Very high65 Ų6581.1 Ų81.140%0.39944%0.435SS..Hα-helixtrans-57.2-50.6176.2-44.30000110.9R1 A2 C6 V7 L8R1-T4 WeakPolarHBondContact O-CB 3.47Å; R1-T4 PolarHBondContact O-N 3.22Å; A2-T4 PolarHBondContact O-N 2.93Å; T4-C6 VanDerWaalsContact C-N 3.35Å; T4-C6 PolarHBondContact O-N 3.24Å; T4-V7 PolarHBondContact O-N 3.03Å; T4-L8 HydrophobicContact CG2-CD1 4.15Å; T4-L8 HydrophobicContact CG2-CG 4.44Å; T4-L8 VanDerWaalsContact O-CG 3.27Å; T4-L8 WeakPolarHBondContact O-CG 3.25Å; T4-L8 PolarHBondContact O-N 2.76Å
5G89.8Confident91.4Very high16 Ų1675.7 Ų75.717%0.16541%0.406CS..Hα-helixtrans-57.1-45.117700000112.7R1 A2 V7 L8 V9R1-G5 PolarHBondContact O-N 2.94Å; A2-G5 PolarHBondContact O-N 3.23Å; G5-V7 PolarHBondContact O-N 3.45Å; G5-L8 PolarHBondContact O-N 2.9Å; G5-V9 WeakPolarHBondContact O-CB 3.5Å; G5-V9 VanDerWaalsContact O-CG2 3.28Å; G5-V9 WeakPolarHBondContact O-CG2 3.19Å; G5-V9 PolarHBondContact O-N 3.36Å
6C91.9Very high91.7Very high76 Ų7674.4 Ų74.451%0.51440%0.399SS..Hα-helixtrans-60.1-46.2176.3-67.40000112.3A2 L3 T4 V9 L10A2-C6 PolarHBondContact O-N 3.27Å; A2-C6 PolarHBondContact O-SG 3.21Å; A2-C6 VanDerWaalsContact O-SG 3.33Å; L3-C6 PolarHBondContact O-N 2.8Å; T4-C6 VanDerWaalsContact C-N 3.35Å; T4-C6 PolarHBondContact O-N 3.24Å; C6-V9 PolarHBondContact O-N 2.95Å; C6-L10 WeakPolarHBondContact O-CB 3.17Å; C6-L10 VanDerWaalsContact O-CG 3.27Å; C6-L10 WeakPolarHBondContact O-CG 3.48Å; C6-L10 PolarHBondContact O-N 3.32Å
7V92.5Very high91.8Very high84 Ų8474.7 Ų74.751%0.50940%0.404SS..Hα-helixtrans-62-44.5178.6171.60000111.2L3 T4 G5 L10 L11L3-V7 WeakPolarHBondContact O-CG2 3.41Å; L3-V7 PolarHBondContact O-N 2.96Å; T4-V7 PolarHBondContact O-N 3.03Å; G5-V7 PolarHBondContact O-N 3.45Å; V7-L10 PolarHBondContact O-N 3Å; V7-L11 PolarHBondContact O-N 3.48Å
8L92.3Very high91.8Very high13 Ų1371.2 Ų71.27%0.06839%0.388CS..Hα-helixtrans-65.2-42.2179.3-64.3180000111.9T4 G5 L11 I12 A60 W294T4-L8 HydrophobicContact CG2-CD1 4.15Å; T4-L8 HydrophobicContact CG2-CG 4.44Å; T4-L8 VanDerWaalsContact O-CG 3.27Å; T4-L8 WeakPolarHBondContact O-CG 3.25Å; T4-L8 PolarHBondContact O-N 2.76Å; G5-L8 PolarHBondContact O-N 2.9Å; L8-L11 WeakPolarHBondContact O-CB 3.31Å; L8-L11 PolarHBondContact O-N 3.32Å; L8-I12 VanDerWaalsContact O-CG1 3.28Å; L8-I12 WeakPolarHBondContact O-CG1 3.37Å; L8-I12 PolarHBondContact O-N 3.15Å; L8-A60 HydrophobicContact CB-CB 4.09Å; L8-A60 HydrophobicContact CD1-CB 3.89Å; L8-W294 HydrophobicContact CB-CH2 4.28Å; L8-W294 HydrophobicContact CD1-CH2 4.2Å; L8-W294 HydrophobicContact CD1-CZ2 3.68Å; L8-W294 HydrophobicContact CD2-CD2 3.59Å; L8-W294 HydrophobicContact CD2-CE3 3.63Å; L8-W294 HydrophobicContact CD2-CG 4.31Å; L8-W294 HydrophobicContact CD2-CH2 3.75Å; L8-W294 HydrophobicContact CD2-CZ2 3.69Å; L8-W294 HydrophobicContact CD2-CZ3 3.71Å; L8-W294 HydrophobicContact CG-CH2 4.28Å; L8-W294 HydrophobicContact CG-CZ2 4.17Å
9V93.4Very high91.9Very high76 Ų7667.5 Ų67.546%0.46137%0.368SS..Hα-helixtrans-63.7-42.9176.1169.60000111.3G5 C6 L11 I12 I13G5-V9 WeakPolarHBondContact O-CB 3.5Å; G5-V9 VanDerWaalsContact O-CG2 3.28Å; G5-V9 WeakPolarHBondContact O-CG2 3.19Å; G5-V9 PolarHBondContact O-N 3.36Å; C6-V9 PolarHBondContact O-N 2.95Å; V9-L11 VanDerWaalsContact C-N 3.31Å; V9-L11 PolarHBondContact O-N 3.43Å; V9-I12 PolarHBondContact O-N 2.78Å; V9-I13 HydrophobicContact CG1-CD1 3.78Å; V9-I13 HydrophobicContact CG1-CG1 4.39Å; V9-I13 WeakPolarHBondContact O-CG1 3.02Å; V9-I13 PolarHBondContact O-N 3.33Å
10L94Very high92Very high117 Ų11769.7 Ų69.761%0.61338%0.377SS*.Hα-helixtrans-61-40.9175.4-73.3171.7000111.7C6 V7 I13 W14C6-L10 WeakPolarHBondContact O-CB 3.17Å; C6-L10 VanDerWaalsContact O-CG 3.27Å; C6-L10 WeakPolarHBondContact O-CG 3.48Å; C6-L10 PolarHBondContact O-N 3.32Å; V7-L10 PolarHBondContact O-N 3Å; L10-I13 PolarHBondContact O-N 3.2Å; L10-W14 VanDerWaalsContact O-CB 3.24Å; L10-W14 WeakPolarHBondContact O-CB 3.48Å; L10-W14 PolarHBondContact O-N 3.33Å
11L93.6Very high92Very high34 Ų3468.1 Ų68.118%0.17837%0.369CS..Hα-helixtrans-62-43.4175.4-176.867.5000111.8V7 L8 V9 W14 T15 W294 S301V7-L11 PolarHBondContact O-N 3.48Å; L8-L11 WeakPolarHBondContact O-CB 3.31Å; L8-L11 PolarHBondContact O-N 3.32Å; V9-L11 VanDerWaalsContact C-N 3.31Å; V9-L11 PolarHBondContact O-N 3.43Å; L11-W14 PolarHBondContact O-N 2.97Å; L11-T15 WeakPolarHBondContact O-CB 3.31Å; L11-T15 PolarHBondContact O-N 3.34Å; L11-T15 PolarHBondContact O-OG1 3.29Å; L11-W294 HydrophobicContact CD2-CE3 3.94Å; L11-W294 HydrophobicContact CD2-CZ3 4.1Å; L11-S301 WeakPolarHBondContact CD1-OG 3.38Å
12I95Very high92.5Very high18 Ų1858.4 Ų58.49%0.09233%0.333CS..Hα-helixtrans-62.5-50.1177.2-67.7163.6000110.5L8 V9 W14 T15 L16 M56 P57 A60L8-I12 VanDerWaalsContact O-CG1 3.28Å; L8-I12 WeakPolarHBondContact O-CG1 3.37Å; L8-I12 PolarHBondContact O-N 3.15Å; V9-I12 PolarHBondContact O-N 2.78Å; I12-W14 VanDerWaalsContact C-N 3.32Å; I12-W14 PolarHBondContact O-N 3.33Å; I12-T15 PolarHBondContact O-N 3.1Å; I12-L16 HydrophobicContact CG2-CD1 4.05Å; I12-L16 HydrophobicContact CG2-CG 4.5Å; I12-L16 WeakPolarHBondContact O-CG 3.5Å; I12-L16 PolarHBondContact O-N 3.44Å; I12-M56 HydrophobicContact CD1-CB 3.91Å; I12-M56 HydrophobicContact CG1-CB 3.62Å; I12-M56 HydrophobicContact CG1-CG 4.42Å; I12-M56 HydrophobicContact CG1-SD 3.91Å; I12-P57 HydrophobicContact CD1-CG 4.29Å; I12-A60 HydrophobicContact CD1-CB 4.34Å
13I94.6Very high92.9Very high90 Ų9055.8 Ų55.846%0.46231%0.309SS..Hα-helixtrans-59.9-44.9179-67.9169.8000110.4V9 L10 T15 L16 V17V9-I13 HydrophobicContact CG1-CD1 3.78Å; V9-I13 HydrophobicContact CG1-CG1 4.39Å; V9-I13 WeakPolarHBondContact O-CG1 3.02Å; V9-I13 PolarHBondContact O-N 3.33Å; L10-I13 PolarHBondContact O-N 3.2Å; I13-T15 VanDerWaalsContact C-N 3.33Å; I13-T15 PolarHBondContact O-N 2.83Å; I13-L16 PolarHBondContact O-N 2.9Å; I13-V17 HydrophobicContact CG2-CG2 4.19Å; I13-V17 WeakPolarHBondContact O-CB 3.37Å; I13-V17 WeakPolarHBondContact O-CG2 3.42Å; I13-V17 PolarHBondContact O-N 2.89Å
14W94.3Very high92.9Very high125 Ų12551.3 Ų51.347%0.47329%0.292SS..Hα-helixtrans-59.1-44.6176.7177.2-97.6000111.9L10 L11 I12 G18 S301 V305L10-W14 VanDerWaalsContact O-CB 3.24Å; L10-W14 WeakPolarHBondContact O-CB 3.48Å; L10-W14 PolarHBondContact O-N 3.33Å; L11-W14 PolarHBondContact O-N 2.97Å; I12-W14 VanDerWaalsContact C-N 3.32Å; I12-W14 PolarHBondContact O-N 3.33Å; W14-G18 PolarHBondContact O-N 3.19Å; W14-S301 PolarHBondContact NE1-O 3.45Å; W14-V305 HydrophobicContact CZ2-CG2 3.78Å
15T94.3Very high93.1Very high0 Ų048.2 Ų48.20%027%0.273CS..Hα-helixtrans-62.6-43.9178.1-53.70000111.6L11 I12 I13 N19 A52 M56 S301L11-T15 WeakPolarHBondContact O-CB 3.31Å; L11-T15 PolarHBondContact O-N 3.34Å; L11-T15 PolarHBondContact O-OG1 3.29Å; I12-T15 PolarHBondContact O-N 3.1Å; I13-T15 VanDerWaalsContact C-N 3.33Å; I13-T15 PolarHBondContact O-N 2.83Å; T15-N19 WeakPolarHBondContact O-CB 3.19Å; T15-N19 PolarHBondContact O-N 3.41Å; T15-N19 VanDerWaalsContact O-N 3.12Å; T15-N19 PolarHBondContact O-ND2 3.2Å; T15-A52 HydrophobicContact CG2-CB 3.8Å; T15-M56 HydrophobicContact CG2-CE 4.33Å; T15-S301 WeakPolarHBondContact OG1-CB 3.43Å
16L95.3Very high93.2Very high55 Ų5547.9 Ų47.929%0.28827%0.268SS..Hα-helixtrans-62.7-55176.6-71.7171.2000111.5I12 I13 G18 N19 M20 L49 A52 V53I12-L16 HydrophobicContact CG2-CD1 4.05Å; I12-L16 HydrophobicContact CG2-CG 4.5Å; I12-L16 WeakPolarHBondContact O-CG 3.5Å; I12-L16 PolarHBondContact O-N 3.44Å; I13-L16 PolarHBondContact O-N 2.9Å; L16-G18 VanDerWaalsContact C-N 3.33Å; L16-G18 PolarHBondContact O-N 3.21Å; L16-N19 PolarHBondContact O-N 2.93Å; L16-M20 VanDerWaalsContact O-CB 3.22Å; L16-M20 WeakPolarHBondContact O-CB 3.31Å; L16-M20 WeakPolarHBondContact O-CG 3.44Å; L16-M20 PolarHBondContact O-N 3.27Å; L16-L49 HydrophobicContact CD2-CD2 3.96Å; L16-A52 HydrophobicContact CD2-CB 3.72Å; L16-A52 HydrophobicContact CG-CB 3.92Å; L16-V53 HydrophobicContact CD2-CG2 3.74Å
17V92.9Very high93.2Very high79 Ų7953.1 Ų53.148%0.47928%0.278SS..Hα-helixtrans-60.9-44.6-1771720000110.9I13 T21I13-V17 HydrophobicContact CG2-CG2 4.19Å; I13-V17 WeakPolarHBondContact O-CB 3.37Å; I13-V17 WeakPolarHBondContact O-CG2 3.42Å; I13-V17 PolarHBondContact O-N 2.89Å; V17-T21 WeakPolarHBondContact O-CB 3.46Å; V17-T21 PolarHBondContact O-N 2.61Å; V17-T21 PolarHBondContact O-OG1 3.32Å
18G92.1Very high93Very high12 Ų1256.9 Ų56.912%0.12428%0.283CS..Hα-helixtrans-60.3-54.2179.900000112.1W14 L16 T21 V22W14-G18 PolarHBondContact O-N 3.19Å; L16-G18 VanDerWaalsContact C-N 3.33Å; L16-G18 PolarHBondContact O-N 3.21Å; G18-T21 WeakPolarHBondContact O-CB 3.47Å; G18-T21 PolarHBondContact O-N 3.15Å; G18-V22 WeakPolarHBondContact O-CG2 3.13Å; G18-V22 PolarHBondContact O-N 3.5Å
19N94.9Very high92.9Very high0 Ų057.9 Ų57.90%029%0.286CS..Hα-helixtrans-72.1-32.2-177.1-71-66.3000112.9T15 L16 T21 V22 C23 A45 L49 S300T15-N19 WeakPolarHBondContact O-CB 3.19Å; T15-N19 PolarHBondContact O-N 3.41Å; T15-N19 VanDerWaalsContact O-N 3.12Å; T15-N19 PolarHBondContact O-ND2 3.2Å; L16-N19 PolarHBondContact O-N 2.93Å; N19-T21 VanDerWaalsContact C-N 3.3Å; N19-T21 PolarHBondContact O-N 3.48Å; N19-V22 WeakPolarHBondContact O-CB 3.36Å; N19-V22 PolarHBondContact O-N 3.47Å; N19-C23 PolarHBondContact O-N 3.39Å; N19-C23 PolarHBondContact O-SG 3.34Å; N19-A45 HydrophobicContact CB-CB 4.24Å; N19-L49 HydrophobicContact CB-CD1 4.37Å; N19-L49 HydrophobicContact CB-CD2 3.76Å; N19-L49 HydrophobicContact CB-CG 3.71Å; N19-S300 PolarHBondContact ND2-O 3.43Å
20M93.9Very high92.5Very high112 Ų11264 Ų6455%0.55230%0.301SS*.Hα-helixtrans-62-39169.5-72.9-61.3-74.100111.8L16 C23 A24 L49L16-M20 VanDerWaalsContact O-CB 3.22Å; L16-M20 WeakPolarHBondContact O-CB 3.31Å; L16-M20 WeakPolarHBondContact O-CG 3.44Å; L16-M20 PolarHBondContact O-N 3.27Å; M20-C23 PolarHBondContact O-N 3.03Å; M20-A24 VanDerWaalsContact O-CB 3.29Å; M20-A24 WeakPolarHBondContact O-CB 3.45Å; M20-A24 PolarHBondContact O-N 3.38Å; M20-L49 HydrophobicContact CG-CD1 4.43Å; M20-L49 HydrophobicContact CG-CD2 3.83Å; M20-L49 HydrophobicContact SD-CD1 3.72Å; M20-L49 HydrophobicContact SD-CD2 4.06Å
21T91.3Very high92.2Very high36 Ų3662.4 Ų62.422%0.22129%0.29CS..Hα-helixtrans-66.4-38.4176.7-56.90000111.5V17 G18 N19 A24 A25 F317 L320V17-T21 WeakPolarHBondContact O-CB 3.46Å; V17-T21 PolarHBondContact O-N 2.61Å; V17-T21 PolarHBondContact O-OG1 3.32Å; G18-T21 WeakPolarHBondContact O-CB 3.47Å; G18-T21 PolarHBondContact O-N 3.15Å; N19-T21 VanDerWaalsContact C-N 3.3Å; N19-T21 PolarHBondContact O-N 3.48Å; T21-A24 PolarHBondContact O-N 3.14Å; T21-A25 WeakPolarHBondContact O-CB 3.36Å; T21-A25 PolarHBondContact O-N 3.36Å; T21-F317 HydrophobicContact CG2-CD1 3.69Å; T21-F317 HydrophobicContact CG2-CE1 4.04Å; T21-F317 HydrophobicContact CG2-CG 4.26Å; T21-L320 HydrophobicContact CG2-CD1 4.37Å
22V93.3Very high91.9Very high0 Ų060.8 Ų60.80%028%0.282CS..Hα-helixtrans-58.8-51.9172.9175.40000110.7G18 N19 A24 A25 V26 I41 A45 P304 Y307 F313 F317G18-V22 WeakPolarHBondContact O-CG2 3.13Å; G18-V22 PolarHBondContact O-N 3.5Å; N19-V22 WeakPolarHBondContact O-CB 3.36Å; N19-V22 PolarHBondContact O-N 3.47Å; V22-A24 PolarHBondContact O-N 2.85Å; V22-A25 PolarHBondContact O-N 3.06Å; V22-V26 PolarHBondContact O-N 3.22Å; V22-V26 VanDerWaalsContact O-N 3.17Å; V22-I41 HydrophobicContact CG1-CG2 3.72Å; V22-A45 HydrophobicContact CB-CB 4.24Å; V22-A45 HydrophobicContact CG1-CB 3.97Å; V22-P304 HydrophobicContact CG2-CB 4.05Å; V22-P304 HydrophobicContact CG2-CG 4.21Å; V22-Y307 HydrophobicContact CG1-CD2 4.13Å; V22-Y307 HydrophobicContact CG1-CE2 4.21Å; V22-Y307 HydrophobicContact CG2-CD2 3.75Å; V22-Y307 HydrophobicContact CG2-CE2 4.3Å; V22-F313 HydrophobicContact CG1-CE1 4.39Å; V22-F317 HydrophobicContact CG2-CE1 4.42Å; V22-F317 HydrophobicContact CG2-CZ 3.88Å
23C94.2Very high91.6Very high26 Ų2665.4 Ų65.418%0.17630%0.298CS..Hα-helixtrans-59.1-46.5177.5-69.90000111.7N19 M20 A25 V26 Y27N19-C23 PolarHBondContact O-N 3.39Å; N19-C23 PolarHBondContact O-SG 3.34Å; M20-C23 PolarHBondContact O-N 3.03Å; C23-A25 PolarHBondContact O-N 2.98Å; C23-V26 PolarHBondContact O-N 3.03Å; C23-Y27 WeakPolarHBondContact O-CB 3.43Å; C23-Y27 PolarHBondContact O-N 3.43Å
24A91Very high91.1Very high43 Ų4364.8 Ų64.836%0.35531%0.306SS..Hα-helixtrans-62-40.7178.700000112.4M20 T21 V22 Y27 R28 L320M20-A24 VanDerWaalsContact O-CB 3.29Å; M20-A24 WeakPolarHBondContact O-CB 3.45Å; M20-A24 PolarHBondContact O-N 3.38Å; T21-A24 PolarHBondContact O-N 3.14Å; V22-A24 PolarHBondContact O-N 2.85Å; A24-Y27 PolarHBondContact O-N 3.39Å; A24-R28 WeakPolarHBondContact O-CB 3.43Å; A24-R28 PolarHBondContact O-N 3.27Å; A24-L320 HydrophobicContact CB-CD1 4.3Å
25A90.6Very high90.7Very high0 Ų063.3 Ų63.30%030%0.303CS..Hα-helixtrans-61.3-50.4177.600000111.7T21 V22 C23 Y27 R28 Y29 L32 A316 F317 L320T21-A25 WeakPolarHBondContact O-CB 3.36Å; T21-A25 PolarHBondContact O-N 3.36Å; V22-A25 PolarHBondContact O-N 3.06Å; C23-A25 PolarHBondContact O-N 2.98Å; A25-Y27 VanDerWaalsContact C-N 3.32Å; A25-Y27 PolarHBondContact O-N 3.09Å; A25-R28 PolarHBondContact O-N 2.93Å; A25-Y29 VanDerWaalsContact O-CD2 3.24Å; A25-Y29 WeakPolarHBondContact O-CD2 3.25Å; A25-Y29 PolarHBondContact O-N 3.02Å; A25-L32 HydrophobicContact CB-CD1 4.21Å; A25-A316 HydrophobicContact CB-CB 4.01Å; A25-F317 HydrophobicContact CB-CD1 3.91Å; A25-F317 HydrophobicContact CB-CE1 3.7Å; A25-L320 HydrophobicContact CB-CD1 3.83Å
26V92.1Very high90.4Very high10 Ų1064.6 Ų64.66%0.06131%0.311CS..Hα-helixtrans-65.9-37.1-179.9-179.50000111.3V22 C23 N38 V42 F313V22-V26 PolarHBondContact O-N 3.22Å; V22-V26 VanDerWaalsContact O-N 3.17Å; C23-V26 PolarHBondContact O-N 3.03Å; V26-N38 HydrophobicContact CG1-CB 4.11Å; V26-N38 HydrophobicContact CG2-CB 4.28Å; V26-V42 HydrophobicContact CB-CG2 3.69Å; V26-V42 HydrophobicContact CG1-CG2 3.7Å; V26-V42 HydrophobicContact CG2-CG2 3.88Å; V26-F313 HydrophobicContact CG2-CE1 3.68Å; V26-F313 HydrophobicContact CG2-CZ 3.86Å
27Y91.1Very high89.9Confident186 Ų18662.8 Ų62.873%0.72930%0.302SS*.Hα-helixtrans-66.6-46.8176.5-174.1-105.1000112.1C23 A24 A25 R33C23-Y27 WeakPolarHBondContact O-CB 3.43Å; C23-Y27 PolarHBondContact O-N 3.43Å; A24-Y27 PolarHBondContact O-N 3.39Å; A25-Y27 VanDerWaalsContact C-N 3.32Å; A25-Y27 PolarHBondContact O-N 3.09Å; Y27-R33 PolarHBondContact O-NE 3.16Å; Y27-R33 PolarHBondContact O-NH2 3.26Å
28R89Confident89.8Confident162 Ų16259.5 Ų59.561%0.61128%0.282SS*.Hα-helixtrans-74.4-35.5-172.5-175.861179.180.9-2.3113.9A24 A25 L320A24-R28 WeakPolarHBondContact O-CB 3.43Å; A24-R28 PolarHBondContact O-N 3.27Å; A25-R28 PolarHBondContact O-N 2.93Å; R28-L320 HydrophobicContact CG-CD2 4.39Å
29Y89.6Confident89.8Confident35 Ų3560.3 Ų60.314%0.13728%0.283CS..  trans-103.3115.4-173.6-62.5-72.8000112.5A25 H31 L32 R33 A316 R319 L320A25-Y29 VanDerWaalsContact O-CD2 3.24Å; A25-Y29 WeakPolarHBondContact O-CD2 3.25Å; A25-Y29 PolarHBondContact O-N 3.02Å; Y29-H31 VanDerWaalsContact C-N 3.3Å; Y29-H31 PolarHBondContact O-N 2.64Å; Y29-L32 HydrophobicContact CD2-CD1 4.38Å; Y29-L32 PolarHBondContact O-N 3.46Å; Y29-L32 VanDerWaalsContact O-N 3.16Å; Y29-R33 PolarHBondContact O-N 3.15Å; Y29-R33 VanDerWaalsContact O-N 3.09Å; Y29-A316 HydrophobicContact CD2-CB 3.4Å; Y29-A316 HydrophobicContact CE2-CB 3.44Å; Y29-A316 VanDerWaalsContact CE2-CB 3.44Å; Y29-A316 WeakPolarHBondContact CE2-O 3.5Å; Y29-A316 HydrophobicContact CG-CB 4.27Å; Y29-A316 PolarHBondContact OH-O 2.93Å; Y29-R319 WeakPolarHBondContact OH-CB 3.21Å; Y29-L320 HydrophobicContact CE2-CD1 4.19Å; Y29-L320 HydrophobicContact CE2-CD2 4.48Å; Y29-L320 HydrophobicContact CE2-CG 3.96Å
30R86.4Confident89.7Confident204 Ų20460.3 Ų60.377%0.7728%0.283SS*.Hα-helixtrans-59.3-36.6-178.2-173176.8177.5142.4-1.2113.2L32 R33 A34R30-L32 VanDerWaalsContact C-N 3.33Å; R30-L32 PolarHBondContact O-N 2.76Å; R30-R33 PolarHBondContact O-N 3.05Å; R30-A34 WeakPolarHBondContact O-CB 3.29Å; R30-A34 PolarHBondContact O-N 3.25Å
31H86.2Confident89.6Confident83 Ų8355.7 Ų55.738%0.38426%0.261SS..Hα-helixtrans-66.8-33.8179.677-89.1000112.4Y29Y29-H31 VanDerWaalsContact C-N 3.3Å; Y29-H31 PolarHBondContact O-N 2.64Å
32L86.9Confident89.8Confident1 Ų155.8 Ų55.81%0.00526%0.261CS..Hα-helixtrans-71.8-45.4172.6-67-178.7000110.5A25 Y29 R30 A34 K35 N38 D312 F313 A316A25-L32 HydrophobicContact CB-CD1 4.21Å; Y29-L32 HydrophobicContact CD2-CD1 4.38Å; Y29-L32 PolarHBondContact O-N 3.46Å; Y29-L32 VanDerWaalsContact O-N 3.16Å; R30-L32 VanDerWaalsContact C-N 3.33Å; R30-L32 PolarHBondContact O-N 2.76Å; L32-A34 PolarHBondContact O-N 3.13Å; L32-K35 PolarHBondContact O-N 2.76Å; L32-K35 VanDerWaalsContact O-N 3.15Å; L32-N38 WeakPolarHBondContact CA-ND2 3.47Å; L32-N38 PolarHBondContact O-ND2 3.44Å; L32-D312 HydrophobicContact CD2-CB 3.7Å; L32-F313 HydrophobicContact CD1-CD1 4.41Å; L32-F313 HydrophobicContact CD1-CE1 4.45Å; L32-F313 HydrophobicContact CD2-CD2 4.37Å; L32-F313 HydrophobicContact CD2-CE2 4.36Å; L32-A316 HydrophobicContact CD1-CB 3.71Å
33R88.8Confident89.9Confident114 Ų11456 Ų5643%0.4326%0.262SS..Hα-helixtrans-63.6-23.2179.9-151.7-169.4-44.7127.33.8114.2Y27 Y29 R30 K35Y27-R33 PolarHBondContact O-NE 3.16Å; Y27-R33 PolarHBondContact O-NH2 3.26Å; Y29-R33 PolarHBondContact O-N 3.15Å; Y29-R33 VanDerWaalsContact O-N 3.09Å; R30-R33 PolarHBondContact O-N 3.05Å; R33-K35 VanDerWaalsContact C-N 3.3Å
34A84.6Confident89.9Confident77 Ų7754.7 Ų54.764%0.63625%0.254SS*.THydrogen-bonded Turntrans-70-27177.400000112.7R30 L32R30-A34 WeakPolarHBondContact O-CB 3.29Å; R30-A34 PolarHBondContact O-N 3.25Å; L32-A34 PolarHBondContact O-N 3.13Å
35K86.7Confident90.1Very high95 Ų9552.7 Ų52.741%0.41324%0.237SC..SBendtrans-83.5118.4179.7-62-178.5-180-178.30110L32 R33 T37 N38 D312L32-K35 PolarHBondContact O-N 2.76Å; L32-K35 VanDerWaalsContact O-N 3.15Å; R33-K35 VanDerWaalsContact C-N 3.3Å; K35-T37 PolarHBondContact O-N 3.12Å; K35-N38 WeakPolarHBondContact O-CB 3.45Å; K35-N38 PolarHBondContact O-N 3.04Å; K35-D312 IonicContact NZ-OD2 3.97Å; K35-D312 PolarHBondContact NZ-OD2 2.84Å
36V86.6Confident90.3Very high27 Ų2756.6 Ų56.616%0.16426%0.258CS..THydrogen-bonded Turntrans-58-36.4-179.4-1800000112N38 I39 F40 M113 A118V36-N38 PolarHBondContact O-N 3.04Å; V36-N38 VanDerWaalsContact O-N 3.13Å; V36-I39 HydrophobicContact CG1-CD1 4.42Å; V36-I39 VanDerWaalsContact O-CB 3.25Å; V36-I39 WeakPolarHBondContact O-CB 3.48Å; V36-I39 WeakPolarHBondContact O-CG1 3.37Å; V36-I39 PolarHBondContact O-N 2.93Å; V36-F40 HydrophobicContact CG1-CE2 4.41Å; V36-M113 HydrophobicContact CB-CG 4.34Å; V36-M113 HydrophobicContact CG1-CG 3.92Å; V36-M113 HydrophobicContact CG1-SD 4.21Å; V36-A118 HydrophobicContact CG1-CB 3.59Å
37T85.9Confident90.5Very high17 Ų1756.1 Ų56.110%0.10426%0.255CS..Hα-helixtrans-54-33.7176-47.70000113.6K35 I39 F40 I41 D98 R99K35-T37 PolarHBondContact O-N 3.12Å; T37-I39 PolarHBondContact O-N 3.16Å; T37-F40 PolarHBondContact O-N 3.06Å; T37-F40 VanDerWaalsContact O-N 3.15Å; T37-I41 PolarHBondContact O-N 3.46Å; T37-D98 WeakPolarHBondContact CG2-OD2 3.3Å; T37-D98 PolarHBondContact OG1-OD2 2.68Å; T37-D98 VanDerWaalsContact OG1-OD2 3.12Å; T37-R99 PolarHBondContact OG1-NH2 2.94Å
38N90.5Very high90.7Very high9 Ų947.3 Ų47.35%0.04822%0.22CC..Hα-helixtrans-70.8-16.8-178.9-67.7-13.3000112.1V26 L32 K35 V36 I41 V42 F313V26-N38 HydrophobicContact CG1-CB 4.11Å; V26-N38 HydrophobicContact CG2-CB 4.28Å; L32-N38 WeakPolarHBondContact CA-ND2 3.47Å; L32-N38 PolarHBondContact O-ND2 3.44Å; K35-N38 WeakPolarHBondContact O-CB 3.45Å; K35-N38 PolarHBondContact O-N 3.04Å; V36-N38 PolarHBondContact O-N 3.04Å; V36-N38 VanDerWaalsContact O-N 3.13Å; N38-I41 PolarHBondContact O-N 3.31Å; N38-V42 WeakPolarHBondContact O-CG2 3.33Å; N38-V42 PolarHBondContact O-N 3.5Å; N38-F313 WeakPolarHBondContact OD1-CE2 3.29Å
39I92.6Very high91Very high30 Ų3040.5 Ų40.515%0.15420%0.196CC..Hα-helixtrans-68.6-41.2171.6-53.5177.8000110.1V36 T37 I41 V42 S43 K115 A118 F119 I122V36-I39 HydrophobicContact CG1-CD1 4.42Å; V36-I39 VanDerWaalsContact O-CB 3.25Å; V36-I39 WeakPolarHBondContact O-CB 3.48Å; V36-I39 WeakPolarHBondContact O-CG1 3.37Å; V36-I39 PolarHBondContact O-N 2.93Å; T37-I39 PolarHBondContact O-N 3.16Å; I39-I41 VanDerWaalsContact C-N 3.33Å; I39-V42 PolarHBondContact O-N 3.32Å; I39-S43 PolarHBondContact O-N 2.83Å; I39-K115 HydrophobicContact CD1-CG 4.08Å; I39-A118 HydrophobicContact CD1-CB 4.5Å; I39-F119 HydrophobicContact CG2-CE1 4.35Å; I39-I122 HydrophobicContact CG2-CD1 3.59Å
40F92.9Very high91.3Very high0 Ų041.5 Ų41.50%020%0.203CC..Hα-helixtrans-66.5-36.6174.2-54.1-59.6000112.1V36 T37 V42 S43 L44 V94 I95 D98 A118 M121 I122V36-F40 HydrophobicContact CG1-CE2 4.41Å; T37-F40 PolarHBondContact O-N 3.06Å; T37-F40 VanDerWaalsContact O-N 3.15Å; F40-V42 VanDerWaalsContact C-N 3.33Å; F40-V42 PolarHBondContact O-N 3.4Å; F40-S43 WeakPolarHBondContact O-CB 3.37Å; F40-S43 PolarHBondContact O-N 2.92Å; F40-L44 PolarHBondContact O-N 3.41Å; F40-V94 HydrophobicContact CD1-CG1 3.57Å; F40-V94 HydrophobicContact CE1-CG1 3.61Å; F40-V94 HydrophobicContact CG-CG1 4.13Å; F40-V94 HydrophobicContact CZ-CG1 4.19Å; F40-I95 HydrophobicContact CB-CD1 4.17Å; F40-I95 HydrophobicContact CB-CG1 3.53Å; F40-I95 HydrophobicContact CG-CG1 4.41Å; F40-D98 HydrophobicContact CD2-CB 4.23Å; F40-D98 HydrophobicContact CE2-CB 3.96Å; F40-A118 HydrophobicContact CE1-CB 3.86Å; F40-A118 HydrophobicContact CE2-CB 4.43Å; F40-A118 HydrophobicContact CZ-CB 3.54Å; F40-M121 HydrophobicContact CE1-CB 4.27Å; F40-M121 HydrophobicContact CE1-CE 3.74Å; F40-M121 HydrophobicContact CE2-CE 4.21Å; F40-M121 HydrophobicContact CZ-CE 3.24Å; F40-I122 HydrophobicContact CD1-CD1 3.92Å; F40-I122 HydrophobicContact CD1-CG1 3.77Å; F40-I122 HydrophobicContact CE1-CD1 4.2Å; F40-I122 HydrophobicContact CE1-CG1 4.02Å
41I92.3Very high91.7Very high15 Ų1531.8 Ų31.88%0.07717%0.167CC..Hα-helixtrans-62.1-41.7174.1-67.4175.1000110.9V22 T37 N38 I39 L44 A45 I95 Y307 F313V22-I41 HydrophobicContact CG1-CG2 3.72Å; T37-I41 PolarHBondContact O-N 3.46Å; N38-I41 PolarHBondContact O-N 3.31Å; I39-I41 VanDerWaalsContact C-N 3.33Å; I41-L44 PolarHBondContact O-N 2.94Å; I41-A45 WeakPolarHBondContact O-CB 3.25Å; I41-A45 PolarHBondContact O-N 2.89Å; I41-I95 HydrophobicContact CG1-CD1 4.49Å; I41-Y307 HydrophobicContact CD1-CD1 4.46Å; I41-Y307 HydrophobicContact CD1-CE1 4.15Å; I41-Y307 HydrophobicContact CG1-CE1 4.15Å; I41-Y307 HydrophobicContact CG2-CD2 4.16Å; I41-Y307 HydrophobicContact CG2-CE1 4.07Å; I41-Y307 HydrophobicContact CG2-CE2 3.64Å; I41-F313 HydrophobicContact CD1-CE2 3.9Å; I41-F313 HydrophobicContact CD1-CZ 3.91Å; I41-F313 HydrophobicContact CG2-CE1 4.4Å; I41-F313 HydrophobicContact CG2-CZ 4.06Å
42V94.8Very high92.2Very high37 Ų3727.9 Ų27.922%0.22415%0.148CC..Hα-helixtrans-64.7-42.9174.3171.10000111V26 N38 I39 F40 L44 A45 L46V26-V42 HydrophobicContact CB-CG2 3.69Å; V26-V42 HydrophobicContact CG1-CG2 3.7Å; V26-V42 HydrophobicContact CG2-CG2 3.88Å; N38-V42 WeakPolarHBondContact O-CG2 3.33Å; N38-V42 PolarHBondContact O-N 3.5Å; I39-V42 PolarHBondContact O-N 3.32Å; F40-V42 VanDerWaalsContact C-N 3.33Å; F40-V42 PolarHBondContact O-N 3.4Å; V42-L44 VanDerWaalsContact C-N 3.3Å; V42-L44 PolarHBondContact O-N 3.26Å; V42-A45 PolarHBondContact O-N 3.37Å; V42-L46 HydrophobicContact CG1-CD1 4.21Å; V42-L46 HydrophobicContact CG1-CG 4.39Å; V42-L46 WeakPolarHBondContact O-CG 3.46Å; V42-L46 PolarHBondContact O-N 3.44Å
43S95.8Very high92.6Very high4 Ų431.6 Ų31.63%0.02817%0.171CC..Hα-helixtrans-58.9-41.4175.2-176.10000112.1I39 F40 L46 S47 N91 W126I39-S43 PolarHBondContact O-N 2.83Å; F40-S43 WeakPolarHBondContact O-CB 3.37Å; F40-S43 PolarHBondContact O-N 2.92Å; S43-L46 PolarHBondContact O-N 3.03Å; S43-S47 PolarHBondContact O-N 3.45Å; S43-S47 VanDerWaalsContact O-N 3.11Å; S43-N91 VanDerWaalsContact CB-OD1 3.23Å; S43-N91 WeakPolarHBondContact CB-OD1 3.32Å; S43-N91 PolarHBondContact OG-ND2 3.43Å; S43-N91 PolarHBondContact OG-OD1 2.88Å; S43-W126 PolarHBondContact OG-NE1 3.48Å
44L93.7Very high92.8Very high0 Ų029 Ų290%017%0.165CC..Hα-helixtrans-63.4-47.6173.7-175.162.8000111.8F40 I41 V42 L46 S47 D48 S88 N91 L92 I95 Y307F40-L44 PolarHBondContact O-N 3.41Å; I41-L44 PolarHBondContact O-N 2.94Å; V42-L44 VanDerWaalsContact C-N 3.3Å; V42-L44 PolarHBondContact O-N 3.26Å; L44-L46 VanDerWaalsContact C-N 3.25Å; L44-L46 PolarHBondContact O-N 2.95Å; L44-S47 WeakPolarHBondContact O-CB 3.31Å; L44-S47 PolarHBondContact O-N 3.33Å; L44-S47 VanDerWaalsContact O-N 3.07Å; L44-D48 PolarHBondContact O-N 3.44Å; L44-S88 WeakPolarHBondContact CD1-O 3.43Å; L44-N91 HydrophobicContact CB-CB 4.13Å; L44-N91 HydrophobicContact CD1-CB 3.9Å; L44-L92 HydrophobicContact CD1-CG 4.21Å; L44-L92 HydrophobicContact CD2-CD2 3.59Å; L44-L92 HydrophobicContact CD2-CG 4.01Å; L44-I95 HydrophobicContact CD2-CD1 4.33Å; L44-Y307 WeakPolarHBondContact CD2-OH 3.49Å
45A95Very high93.2Very high0 Ų025.3 Ų25.30%014%0.135CC..Hα-helixtrans-60.4-35.7178.400000112.1N19 V22 I41 V42 D48 L49N19-A45 HydrophobicContact CB-CB 4.24Å; V22-A45 HydrophobicContact CB-CB 4.24Å; V22-A45 HydrophobicContact CG1-CB 3.97Å; I41-A45 WeakPolarHBondContact O-CB 3.25Å; I41-A45 PolarHBondContact O-N 2.89Å; V42-A45 PolarHBondContact O-N 3.37Å; A45-D48 PolarHBondContact O-N 3.13Å; A45-L49 WeakPolarHBondContact O-CB 3.31Å; A45-L49 VanDerWaalsContact O-CG 3.22Å; A45-L49 WeakPolarHBondContact O-CG 3.2Å; A45-L49 PolarHBondContact O-N 3.48Å
46L95.8Very high93.4Very high83 Ų8320.8 Ų20.844%0.43512%0.115SC..Hα-helixtrans-64.7-43.3173.2-71.1173000111.8V42 S43 L44 D48 L49 L50 W126V42-L46 HydrophobicContact CG1-CD1 4.21Å; V42-L46 HydrophobicContact CG1-CG 4.39Å; V42-L46 WeakPolarHBondContact O-CG 3.46Å; V42-L46 PolarHBondContact O-N 3.44Å; S43-L46 PolarHBondContact O-N 3.03Å; L44-L46 VanDerWaalsContact C-N 3.25Å; L44-L46 PolarHBondContact O-N 2.95Å; L46-D48 VanDerWaalsContact C-N 3.34Å; L46-D48 PolarHBondContact O-N 3.14Å; L46-L49 HydrophobicContact CD2-CD1 4.45Å; L46-L49 PolarHBondContact O-N 3.41Å; L46-L50 WeakPolarHBondContact O-CG 3.39Å; L46-L50 PolarHBondContact O-N 2.86Å; L46-W126 HydrophobicContact CB-CZ2 4.31Å
47S95.4Very high93.8Very high0 Ų021.7 Ų21.70%012%0.122CC..Hα-helixtrans-58.9-45.4174.3-171.60000111.8S43 L44 L49 L50 V51 C84 A87 S88S43-S47 PolarHBondContact O-N 3.45Å; S43-S47 VanDerWaalsContact O-N 3.11Å; L44-S47 WeakPolarHBondContact O-CB 3.31Å; L44-S47 PolarHBondContact O-N 3.33Å; L44-S47 VanDerWaalsContact O-N 3.07Å; S47-L49 PolarHBondContact O-N 2.85Å; S47-L50 WeakPolarHBondContact O-CB 3.46Å; S47-L50 PolarHBondContact O-N 2.85Å; S47-L50 VanDerWaalsContact O-N 3.13Å; S47-V51 PolarHBondContact O-N 2.93Å; S47-C84 PolarHBondContact OG-O 3.48Å; S47-A87 WeakPolarHBondContact OG-CB 3.24Å; S47-S88 WeakPolarHBondContact CB-OG 3.35Å; S47-S88 PolarHBondContact OG-N 3.46Å; S47-S88 VanDerWaalsContact OG-N 3.13Å; S47-S88 PolarHBondContact OG-OG 3.22Å
48D95.1Very high94.1Very high0 Ų025.2 Ų25.20%013%0.133CC..Hα-helixtrans-66.6-34.2178.4-68-27.5000113.2L44 A45 L46 L50 V51 A52 S88 S300 N303L44-D48 PolarHBondContact O-N 3.44Å; A45-D48 PolarHBondContact O-N 3.13Å; L46-D48 VanDerWaalsContact C-N 3.34Å; L46-D48 PolarHBondContact O-N 3.14Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-V51 PolarHBondContact O-N 3.13Å; D48-A52 PolarHBondContact O-N 3.21Å; D48-A52 VanDerWaalsContact O-N 3.09Å; D48-S88 PolarHBondContact OD1-OG 2.92Å; D48-S300 VanDerWaalsContact OD1-CB 3.29Å; D48-S300 WeakPolarHBondContact OD1-CB 3.25Å; D48-S300 PolarHBondContact OD1-OG 3.02Å; D48-N303 PolarHBondContact OD2-ND2 2.97Å
49L96.3Very high94Very high20 Ų2026.4 Ų26.411%0.10514%0.138CC..Hα-helixtrans-64.7-39.3171.1-73.4168.9000111.5L16 N19 M20 A45 L46 S47 V51 A52 V53L16-L49 HydrophobicContact CD2-CD2 3.96Å; N19-L49 HydrophobicContact CB-CD1 4.37Å; N19-L49 HydrophobicContact CB-CD2 3.76Å; N19-L49 HydrophobicContact CB-CG 3.71Å; M20-L49 HydrophobicContact CG-CD1 4.43Å; M20-L49 HydrophobicContact CG-CD2 3.83Å; M20-L49 HydrophobicContact SD-CD1 3.72Å; M20-L49 HydrophobicContact SD-CD2 4.06Å; A45-L49 WeakPolarHBondContact O-CB 3.31Å; A45-L49 VanDerWaalsContact O-CG 3.22Å; A45-L49 WeakPolarHBondContact O-CG 3.2Å; A45-L49 PolarHBondContact O-N 3.48Å; L46-L49 HydrophobicContact CD2-CD1 4.45Å; L46-L49 PolarHBondContact O-N 3.41Å; S47-L49 PolarHBondContact O-N 2.85Å; L49-V51 VanDerWaalsContact C-N 3.35Å; L49-A52 PolarHBondContact O-N 3.25Å; L49-V53 WeakPolarHBondContact O-CG2 3.19Å; L49-V53 PolarHBondContact O-N 3.14Å
50L95.8Very high93.9Very high55 Ų5525.5 Ų25.529%0.28814%0.135SC..Hα-helixtrans-64.1-39.5174.8-65.9177.7000111.5L46 S47 D48 A52 V53 L54 M83 C84 W126L46-L50 WeakPolarHBondContact O-CG 3.39Å; L46-L50 PolarHBondContact O-N 2.86Å; S47-L50 WeakPolarHBondContact O-CB 3.46Å; S47-L50 PolarHBondContact O-N 2.85Å; S47-L50 VanDerWaalsContact O-N 3.13Å; D48-L50 VanDerWaalsContact C-N 3.34Å; L50-A52 VanDerWaalsContact C-N 3.32Å; L50-A52 PolarHBondContact O-N 3.35Å; L50-V53 PolarHBondContact O-N 3.44Å; L50-L54 HydrophobicContact CB-CD1 4.31Å; L50-L54 HydrophobicContact CD2-CD1 3.94Å; L50-L54 HydrophobicContact CD2-CG 4.5Å; L50-L54 WeakPolarHBondContact O-CA 3.16Å; L50-L54 VanDerWaalsContact O-CB 3.26Å; L50-L54 WeakPolarHBondContact O-CB 3.22Å; L50-L54 PolarHBondContact O-N 2.99Å; L50-M83 HydrophobicContact CD1-CE 4.48Å; L50-C84 VanDerWaalsContact CB-SG 3.53Å; L50-W126 HydrophobicContact CD1-CH2 3.58Å; L50-W126 HydrophobicContact CD1-CZ3 3.54Å
51V94.6Very high93.8Very high1 Ų127.5 Ų27.51%0.00615%0.152CC..Iπ-helixtrans-57.3-47.4172-1800000110.6S47 D48 L49 V53 V55 M56 C84 W297S47-V51 PolarHBondContact O-N 2.93Å; D48-V51 PolarHBondContact O-N 3.13Å; L49-V51 VanDerWaalsContact C-N 3.35Å; V51-V53 VanDerWaalsContact C-N 3.3Å; V51-V53 PolarHBondContact O-N 3.44Å; V51-V55 HydrophobicContact CG1-CB 4.27Å; V51-V55 WeakPolarHBondContact O-CA 3.24Å; V51-V55 VanDerWaalsContact O-CB 3.32Å; V51-V55 WeakPolarHBondContact O-CB 3.4Å; V51-V55 PolarHBondContact O-N 3.29Å; V51-V55 VanDerWaalsContact O-N 3.08Å; V51-M56 HydrophobicContact CG1-CE 3.9Å; V51-M56 HydrophobicContact CG1-CG 4.07Å; V51-M56 PolarHBondContact O-N 2.69Å; V51-C84 HydrophobicContact CG2-CB 3.45Å; V51-C84 VanDerWaalsContact CG2-CB 3.45Å; V51-W297 HydrophobicContact CG1-CB 4.26Å; V51-W297 HydrophobicContact CG1-CG 4.13Å
52A95.4Very high93.6Very high0 Ų027.2 Ų27.20%015%0.152CC..Iπ-helixtrans-67.4-26.5-177.100000114T15 L16 D48 L49 L50 M56 P57T15-A52 HydrophobicContact CG2-CB 3.8Å; L16-A52 HydrophobicContact CD2-CB 3.72Å; L16-A52 HydrophobicContact CG-CB 3.92Å; D48-A52 PolarHBondContact O-N 3.21Å; D48-A52 VanDerWaalsContact O-N 3.09Å; L49-A52 PolarHBondContact O-N 3.25Å; L50-A52 VanDerWaalsContact C-N 3.32Å; L50-A52 PolarHBondContact O-N 3.35Å; A52-M56 HydrophobicContact CB-SD 4.4Å; A52-P57 WeakPolarHBondContact O-CD 3.22Å; A52-P57 WeakPolarHBondContact O-CG 3.46Å
53V95.3Very high93.2Very high79 Ų7927.3 Ų27.348%0.47915%0.149SC..Iπ-helixtrans-96.6-45.8-179.3176.50000112.3L16 L49 L50 V51L16-V53 HydrophobicContact CD2-CG2 3.74Å; L49-V53 WeakPolarHBondContact O-CG2 3.19Å; L49-V53 PolarHBondContact O-N 3.14Å; L50-V53 PolarHBondContact O-N 3.44Å; V51-V53 VanDerWaalsContact C-N 3.3Å; V51-V53 PolarHBondContact O-N 3.44Å
54L93.1Very high92.8Very high59 Ų5929.9 Ų29.931%0.30917%0.165SC..Iπ-helixtrans-95-18.2-169.8-57.9-178.6000113.8L50 W58 C80L50-L54 HydrophobicContact CB-CD1 4.31Å; L50-L54 HydrophobicContact CD2-CD1 3.94Å; L50-L54 HydrophobicContact CD2-CG 4.5Å; L50-L54 WeakPolarHBondContact O-CA 3.16Å; L50-L54 VanDerWaalsContact O-CB 3.26Å; L50-L54 WeakPolarHBondContact O-CB 3.22Å; L50-L54 PolarHBondContact O-N 2.99Å; L54-W58 PolarHBondContact O-NE1 2.97Å; L54-C80 HydrophobicContact CB-CB 4.41Å
55V92.8Very high92.5Very high0 Ų031.8 Ų31.80%018%0.181CC..Iπ-helixtrans-117.2-62.8-171.4-175.10000111.4V51 W58 K59 W77 D81 W297V51-V55 HydrophobicContact CG1-CB 4.27Å; V51-V55 WeakPolarHBondContact O-CA 3.24Å; V51-V55 VanDerWaalsContact O-CB 3.32Å; V51-V55 WeakPolarHBondContact O-CB 3.4Å; V51-V55 PolarHBondContact O-N 3.29Å; V51-V55 VanDerWaalsContact O-N 3.08Å; V55-W58 PolarHBondContact O-N 3.08Å; V55-K59 PolarHBondContact O-N 3.5Å; V55-W77 HydrophobicContact CG1-CZ2 4.14Å; V55-W77 PolarHBondContact O-NE1 2.75Å; V55-D81 HydrophobicContact CG1-CB 3.85Å; V55-D81 HydrophobicContact CG2-CB 4.13Å; V55-W297 HydrophobicContact CG1-CD2 4.27Å; V55-W297 HydrophobicContact CG1-CH2 3.92Å; V55-W297 HydrophobicContact CG1-CZ2 3.33Å
56M92.9Very high91.8Very high0 Ų034.3 Ų34.30%021%0.207CC..Hα-helixtrans-59.6-43.4-170.9-66.1177176.600114.5I12 T15 V51 A52 W58 K59 A60 W294 W297I12-M56 HydrophobicContact CD1-CB 3.91Å; I12-M56 HydrophobicContact CG1-CB 3.62Å; I12-M56 HydrophobicContact CG1-CG 4.42Å; I12-M56 HydrophobicContact CG1-SD 3.91Å; T15-M56 HydrophobicContact CG2-CE 4.33Å; V51-M56 HydrophobicContact CG1-CE 3.9Å; V51-M56 HydrophobicContact CG1-CG 4.07Å; V51-M56 PolarHBondContact O-N 2.69Å; A52-M56 HydrophobicContact CB-SD 4.4Å; M56-W58 PolarHBondContact O-N 3.39Å; M56-K59 PolarHBondContact O-N 2.74Å; M56-A60 VanDerWaalsContact O-CB 3.26Å; M56-A60 WeakPolarHBondContact O-CB 3.36Å; M56-A60 PolarHBondContact O-N 2.96Å; M56-W294 HydrophobicContact CB-CH2 4.05Å; M56-W294 HydrophobicContact CB-CZ3 4.11Å; M56-W294 HydrophobicContact CG-CH2 4.42Å; M56-W294 HydrophobicContact CG-CZ3 4.01Å; M56-W297 HydrophobicContact CE-CB 3.62Å; M56-W297 VanDerWaalsContact CE-O 3.23Å; M56-W297 WeakPolarHBondContact CE-O 3.3Å; M56-W297 HydrophobicContact CG-CB 4.44Å; M56-W297 HydrophobicContact CG-CE3 4.38Å
57P93.7Very high91.1Very high47 Ų4735.8 Ų35.831%0.30521%0.21SC..Hα-helixtrans-65.1-40.5-174.7-22.835.4000112.7I12 A52 A60 A61I12-P57 HydrophobicContact CD1-CG 4.29Å; A52-P57 WeakPolarHBondContact O-CD 3.22Å; A52-P57 WeakPolarHBondContact O-CG 3.46Å; P57-A60 PolarHBondContact O-N 2.82Å; P57-A61 WeakPolarHBondContact O-CB 3.43Å; P57-A61 PolarHBondContact O-N 2.86Å
58W91.6Very high90.5Very high91 Ų9137 Ų3735%0.34521%0.214SC..Hα-helixtrans-68.3-44.1-179.1-51.198.3000111.3L54 V55 M56 A61 A62 W68 F70 F73L54-W58 PolarHBondContact O-NE1 2.97Å; V55-W58 PolarHBondContact O-N 3.08Å; M56-W58 PolarHBondContact O-N 3.39Å; W58-A61 PolarHBondContact O-N 2.98Å; W58-A62 PolarHBondContact O-N 3.34Å; W58-W68 HydrophobicContact CB-CH2 4.12Å; W58-W68 HydrophobicContact CB-CZ3 4.48Å; W58-F70 HydrophobicContact CB-CE2 4.33Å; W58-F70 AromaticContact CE3-CD1 3.86Å; W58-F70 HydrophobicContact CE3-CD1 3.86Å; W58-F70 HydrophobicContact CE3-CD2 4.25Å; W58-F70 AromaticContact CE3-CE1 3.64Å; W58-F70 HydrophobicContact CE3-CE1 3.64Å; W58-F70 HydrophobicContact CE3-CE2 4.05Å; W58-F70 HydrophobicContact CE3-CG 4.17Å; W58-F70 AromaticContact CE3-CZ 3.73Å; W58-F70 HydrophobicContact CE3-CZ 3.73Å; W58-F70 AromaticContact CZ3-CD1 3.93Å; W58-F70 HydrophobicContact CZ3-CD1 3.93Å; W58-F70 AromaticContact CZ3-CE1 3.75Å; W58-F70 HydrophobicContact CZ3-CE1 3.75Å; W58-F70 HydrophobicContact CZ3-CZ 4.28Å; W58-F70 WeakPolarHBondContact O-CE2 3.47Å; W58-F73 HydrophobicContact CB-CE1 4.49Å; W58-F73 HydrophobicContact CD2-CD1 4.45Å; W58-F73 AromaticContact CD2-CE1 3.67Å; W58-F73 HydrophobicContact CD2-CE1 3.67Å; W58-F73 HydrophobicContact CD2-CZ 4.42Å; W58-F73 AromaticContact CE2-CE1 3.92Å; W58-F73 HydrophobicContact CE3-CD1 4.41Å; W58-F73 HydrophobicContact CE3-CE1 4.03Å; W58-F73 AromaticContact CG-CE1 3.87Å; W58-F73 HydrophobicContact CG-CE1 3.87Å; W58-F73 HydrophobicContact CZ2-CE1 4.47Å
59K89.1Confident90Very high34 Ų3440 Ų4015%0.14823%0.234CC..Hα-helixtrans-67-38.8174.5-175.661.8168.2161.80111.9V55 M56 A61 A62 E63 W77 D290 W294 W297V55-K59 PolarHBondContact O-N 3.5Å; M56-K59 PolarHBondContact O-N 2.74Å; K59-A61 VanDerWaalsContact C-N 3.34Å; K59-A61 PolarHBondContact O-N 3.44Å; K59-A62 PolarHBondContact O-N 3.13Å; K59-E63 IonicContact NZ-OE2 2.71Å; K59-E63 WeakPolarHBondContact O-CB 3.46Å; K59-E63 PolarHBondContact O-N 3.26Å; K59-W77 HydrophobicContact CB-CZ2 3.82Å; K59-W77 HydrophobicContact CD-CH2 4.37Å; K59-W77 HydrophobicContact CD-CZ2 4.34Å; K59-W77 HydrophobicContact CG-CZ2 4.33Å; K59-D290 VanDerWaalsContact CE-OD1 3.22Å; K59-D290 WeakPolarHBondContact CE-OD1 3.35Å; K59-D290 IonicContact NZ-OD1 3.2Å; K59-D290 PolarHBondContact NZ-OD1 2.91Å; K59-D290 IonicContact NZ-OD2 2.7Å; K59-W294 HydrophobicContact CB-CZ2 4.34Å; K59-W294 HydrophobicContact CG-CZ2 4.18Å; K59-W297 HydrophobicContact CB-CH2 3.75Å; K59-W297 HydrophobicContact CB-CZ3 3.79Å; K59-W297 HydrophobicContact CG-CH2 3.65Å; K59-W297 HydrophobicContact CG-CZ3 3.64Å
60A91.4Very high89.4Confident10 Ų1042 Ų428%0.08324%0.242CC..Hα-helixtrans-61.2-42.9176.200000111.8L8 I12 M56 P57 E63 V64 W294L8-A60 HydrophobicContact CB-CB 4.09Å; L8-A60 HydrophobicContact CD1-CB 3.89Å; I12-A60 HydrophobicContact CD1-CB 4.34Å; M56-A60 VanDerWaalsContact O-CB 3.26Å; M56-A60 WeakPolarHBondContact O-CB 3.36Å; M56-A60 PolarHBondContact O-N 2.96Å; P57-A60 PolarHBondContact O-N 2.82Å; A60-E63 PolarHBondContact O-N 3.3Å; A60-V64 WeakPolarHBondContact O-CG2 3.48Å; A60-V64 PolarHBondContact O-N 3.31Å; A60-W294 HydrophobicContact CB-CH2 3.96Å; A60-W294 HydrophobicContact CB-CZ2 3.99Å
61A90.6Very high88.7Confident43 Ų4341.8 Ų41.836%0.35525%0.253SS..Hα-helixtrans-62.1-45175.200000111.8P57 W58 K59 E63 V64 A65 F70P57-A61 WeakPolarHBondContact O-CB 3.43Å; P57-A61 PolarHBondContact O-N 2.86Å; W58-A61 PolarHBondContact O-N 2.98Å; K59-A61 VanDerWaalsContact C-N 3.34Å; K59-A61 PolarHBondContact O-N 3.44Å; A61-E63 PolarHBondContact O-N 3.46Å; A61-V64 PolarHBondContact O-N 3.45Å; A61-A65 VanDerWaalsContact O-CB 3.29Å; A61-A65 WeakPolarHBondContact O-CB 3.46Å; A61-A65 PolarHBondContact O-N 3.47Å; A61-F70 HydrophobicContact CB-CE2 4.05Å; A61-F70 HydrophobicContact CB-CZ 3.73Å
62A87.1Confident87.9Confident9 Ų945 Ų457%0.07429%0.287CS..Hα-helixtrans-63.3-38.3176.200000112.7W58 K59 A65 G66 F67 W68W58-A62 PolarHBondContact O-N 3.34Å; K59-A62 PolarHBondContact O-N 3.13Å; A62-A65 PolarHBondContact O-N 3.22Å; A62-G66 PolarHBondContact O-N 3.4Å; A62-F67 WeakPolarHBondContact CA-O 3.45Å; A62-F67 PolarHBondContact O-N 3.33Å; A62-W68 HydrophobicContact CB-CE3 3.66Å; A62-W68 HydrophobicContact CB-CZ3 4.16Å
63E85.8Confident87.4Confident38 Ų3848.4 Ų48.418%0.17830%0.302CS..Hα-helixtrans-65.9-39.8178.1-168.761.1-143.500112.2K59 A60 A61 K287K59-E63 IonicContact NZ-OE2 2.71Å; K59-E63 WeakPolarHBondContact O-CB 3.46Å; K59-E63 PolarHBondContact O-N 3.26Å; A60-E63 PolarHBondContact O-N 3.3Å; A61-E63 PolarHBondContact O-N 3.46Å; E63-K287 IonicContact OE1-NZ 2.72Å; E63-K287 PolarHBondContact OE1-NZ 2.87Å; E63-K287 IonicContact OE2-NZ 3.97Å
64V88.6Confident86.7Confident58 Ų5846 Ų4635%0.35229%0.288SS..Hα-helixtrans-72.1-39.9177.4174.50000111.2A60 A61 G66A60-V64 WeakPolarHBondContact O-CG2 3.48Å; A60-V64 PolarHBondContact O-N 3.31Å; A61-V64 PolarHBondContact O-N 3.45Å; V64-G66 VanDerWaalsContact C-N 3.31Å
65A86.8Confident86Confident41 Ų4146.2 Ų46.234%0.33929%0.287SS..Hα-helixtrans-67.8-31.2175.900000112.3A61 A62 F67A61-A65 VanDerWaalsContact O-CB 3.29Å; A61-A65 WeakPolarHBondContact O-CB 3.46Å; A61-A65 PolarHBondContact O-N 3.47Å; A62-A65 PolarHBondContact O-N 3.22Å; A65-F67 VanDerWaalsContact C-N 3.26Å; A65-F67 HydrophobicContact CB-CD1 4.02Å; A65-F67 HydrophobicContact CB-CE1 4Å; A65-F67 WeakPolarHBondContact O-CD1 3.01Å
66G81.3Confident85.7Confident53 Ų5349 Ų4955%0.54630%0.304SS..THydrogen-bonded Turntrans80.34.7-174.600000114A62 V64A62-G66 PolarHBondContact O-N 3.4Å; V64-G66 VanDerWaalsContact C-N 3.31Å
67F80.6Confident85.5Confident114 Ų11450 Ų5050%0.531%0.307SS..SBendtrans-151.2167.7176.972.2-88000108.9A62 A65 P69 G162A62-F67 WeakPolarHBondContact CA-O 3.45Å; A62-F67 PolarHBondContact O-N 3.33Å; A65-F67 VanDerWaalsContact C-N 3.26Å; A65-F67 HydrophobicContact CB-CD1 4.02Å; A65-F67 HydrophobicContact CB-CE1 4Å; A65-F67 WeakPolarHBondContact O-CD1 3.01Å; F67-P69 HydrophobicContact CD2-CB 4.42Å; F67-P69 HydrophobicContact CE2-CB 3.77Å; F67-P69 HydrophobicContact CZ-CB 4.31Å; F67-P69 WeakPolarHBondContact O-CD 3.24Å; F67-G162 CarbonylContact C-O 3.45Å; F67-G162 WeakPolarHBondContact CA-O 3.29Å; F67-G162 WeakPolarHBondContact CB-O 3.32Å
68W83.4Confident85Confident24 Ų2449 Ų499%0.09130%0.299CS..  trans-91.5105.8176.6-178.3-97000111.3W58 A62 F70 G71 F73 C74 W77 G162 C164W58-W68 HydrophobicContact CB-CH2 4.12Å; W58-W68 HydrophobicContact CB-CZ3 4.48Å; A62-W68 HydrophobicContact CB-CE3 3.66Å; A62-W68 HydrophobicContact CB-CZ3 4.16Å; W68-F70 HydrophobicContact CD2-CD2 4.02Å; W68-F70 AromaticContact CE2-CD2 3.84Å; W68-F70 HydrophobicContact CE3-CD2 4.14Å; W68-F70 AromaticContact CH2-CD2 3.91Å; W68-F70 HydrophobicContact CH2-CD2 3.91Å; W68-F70 HydrophobicContact CZ2-CB 3.83Å; W68-F70 AromaticContact CZ2-CD2 3.8Å; W68-F70 HydrophobicContact CZ2-CD2 3.8Å; W68-F70 HydrophobicContact CZ2-CG 4.26Å; W68-F70 HydrophobicContact CZ3-CD2 4.08Å; W68-G71 PolarHBondContact NE1-O 3.44Å; W68-G71 VanDerWaalsContact NE1-O 3.09Å; W68-F73 HydrophobicContact CH2-CD1 4.43Å; W68-F73 AromaticContact CZ2-CD1 3.95Å; W68-F73 HydrophobicContact CZ2-CD1 3.95Å; W68-C74 HydrophobicContact CZ2-CB 4.24Å; W68-W77 HydrophobicContact CH2-CB 3.87Å; W68-W77 AromaticContact CH2-CD1 3.99Å; W68-W77 AromaticContact CH2-CD2 3.72Å; W68-W77 HydrophobicContact CH2-CD2 3.72Å; W68-W77 HydrophobicContact CH2-CE3 4.16Å; W68-W77 AromaticContact CH2-CG 3.55Å; W68-W77 HydrophobicContact CH2-CG 3.55Å; W68-W77 HydrophobicContact CZ2-CB 4.12Å; W68-W77 HydrophobicContact CZ2-CG 4.29Å; W68-W77 HydrophobicContact CZ3-CD2 4.14Å; W68-W77 HydrophobicContact CZ3-CE3 4.39Å; W68-W77 HydrophobicContact CZ3-CG 4.39Å; W68-G162 PolarHBondContact N-O 3.39Å; W68-C164 HydrophobicContact CB-CB 3.86Å; W68-C164 HydrophobicContact CD2-CB 3.58Å; W68-C164 HydrophobicContact CE3-CB 3.89Å; W68-C164 HydrophobicContact CG-CB 3.56Å
69P83.4Confident84.7Confident63 Ų6344.7 Ų44.741%0.40928%0.283SS..THydrogen-bonded Turntrans-84.6-8.6-175.934.7-37.2000113.7F67 G71F67-P69 HydrophobicContact CD2-CB 4.42Å; F67-P69 HydrophobicContact CE2-CB 3.77Å; F67-P69 HydrophobicContact CZ-CB 4.31Å; F67-P69 WeakPolarHBondContact O-CD 3.24Å; P69-G71 VanDerWaalsContact C-N 3.34Å; P69-G71 PolarHBondContact O-N 2.87Å
70F85.1Confident84.8Confident63 Ų6343.8 Ų43.828%0.27628%0.281SS..THydrogen-bonded Turntrans-92.515.8-168.2-48.5-73.6000114.2W58 A61 W68 G72 F73W58-F70 HydrophobicContact CB-CE2 4.33Å; W58-F70 AromaticContact CE3-CD1 3.86Å; W58-F70 HydrophobicContact CE3-CD1 3.86Å; W58-F70 HydrophobicContact CE3-CD2 4.25Å; W58-F70 AromaticContact CE3-CE1 3.64Å; W58-F70 HydrophobicContact CE3-CE1 3.64Å; W58-F70 HydrophobicContact CE3-CE2 4.05Å; W58-F70 HydrophobicContact CE3-CG 4.17Å; W58-F70 AromaticContact CE3-CZ 3.73Å; W58-F70 HydrophobicContact CE3-CZ 3.73Å; W58-F70 AromaticContact CZ3-CD1 3.93Å; W58-F70 HydrophobicContact CZ3-CD1 3.93Å; W58-F70 AromaticContact CZ3-CE1 3.75Å; W58-F70 HydrophobicContact CZ3-CE1 3.75Å; W58-F70 HydrophobicContact CZ3-CZ 4.28Å; W58-F70 WeakPolarHBondContact O-CE2 3.47Å; A61-F70 HydrophobicContact CB-CE2 4.05Å; A61-F70 HydrophobicContact CB-CZ 3.73Å; W68-F70 HydrophobicContact CD2-CD2 4.02Å; W68-F70 AromaticContact CE2-CD2 3.84Å; W68-F70 HydrophobicContact CE3-CD2 4.14Å; W68-F70 AromaticContact CH2-CD2 3.91Å; W68-F70 HydrophobicContact CH2-CD2 3.91Å; W68-F70 HydrophobicContact CZ2-CB 3.83Å; W68-F70 AromaticContact CZ2-CD2 3.8Å; W68-F70 HydrophobicContact CZ2-CD2 3.8Å; W68-F70 HydrophobicContact CZ2-CG 4.26Å; W68-F70 HydrophobicContact CZ3-CD2 4.08Å; F70-G72 PolarHBondContact O-N 3.42Å; F70-F73 HydrophobicContact CB-CB 4.01Å; F70-F73 HydrophobicContact CB-CD1 4.16Å; F70-F73 WeakPolarHBondContact O-CB 3.3Å; F70-F73 PolarHBondContact O-N 3.46Å; F70-F73 VanDerWaalsContact O-N 3.11Å
71G80.8Confident84.6Confident51 Ų5144 Ų4453%0.52628%0.281SS..THydrogen-bonded Turntrans47.8-131176.900000113.6W68 P69 F73 C74W68-G71 PolarHBondContact NE1-O 3.44Å; W68-G71 VanDerWaalsContact NE1-O 3.09Å; P69-G71 VanDerWaalsContact C-N 3.34Å; P69-G71 PolarHBondContact O-N 2.87Å; G71-F73 PolarHBondContact O-N 3.47Å; G71-C74 PolarHBondContact O-N 3.3Å
72G77.1Confident84.4Confident69 Ų6943.1 Ų43.171%0.71127%0.27SS*.THydrogen-bonded Turntrans-61.9-12.1-177.700000116.1F70 C74 K75F70-G72 PolarHBondContact O-N 3.42Å; G72-C74 PolarHBondContact O-N 2.87Å; G72-C74 VanDerWaalsContact O-N 3.09Å; G72-K75 PolarHBondContact O-N 3.41Å
73F84.4Confident84.7Confident70 Ų7043.6 Ų43.631%0.30727%0.271SS..Hα-helixtrans-61.5-16.9174-174.7-114.6000112.8W58 W68 F70 G71 K75 T76 W77W58-F73 HydrophobicContact CB-CE1 4.49Å; W58-F73 HydrophobicContact CD2-CD1 4.45Å; W58-F73 AromaticContact CD2-CE1 3.67Å; W58-F73 HydrophobicContact CD2-CE1 3.67Å; W58-F73 HydrophobicContact CD2-CZ 4.42Å; W58-F73 AromaticContact CE2-CE1 3.92Å; W58-F73 HydrophobicContact CE3-CD1 4.41Å; W58-F73 HydrophobicContact CE3-CE1 4.03Å; W58-F73 AromaticContact CG-CE1 3.87Å; W58-F73 HydrophobicContact CG-CE1 3.87Å; W58-F73 HydrophobicContact CZ2-CE1 4.47Å; W68-F73 HydrophobicContact CH2-CD1 4.43Å; W68-F73 AromaticContact CZ2-CD1 3.95Å; W68-F73 HydrophobicContact CZ2-CD1 3.95Å; F70-F73 HydrophobicContact CB-CB 4.01Å; F70-F73 HydrophobicContact CB-CD1 4.16Å; F70-F73 WeakPolarHBondContact O-CB 3.3Å; F70-F73 PolarHBondContact O-N 3.46Å; F70-F73 VanDerWaalsContact O-N 3.11Å; G71-F73 PolarHBondContact O-N 3.47Å; F73-K75 VanDerWaalsContact C-N 3.27Å; F73-K75 PolarHBondContact O-N 3.49Å; F73-T76 HydrophobicContact CD2-CG2 4.38Å; F73-T76 HydrophobicContact CE2-CG2 4Å; F73-T76 PolarHBondContact O-N 3.27Å; F73-W77 HydrophobicContact CD1-CB 4.11Å; F73-W77 HydrophobicContact CE1-CB 3.91Å; F73-W77 HydrophobicContact CZ-CB 4.42Å; F73-W77 WeakPolarHBondContact O-CB 3.32Å; F73-W77 PolarHBondContact O-N 3.12Å
74C82.3Confident84.9Confident28 Ų2841.8 Ų41.819%0.18926%0.262CS..Hα-helixtrans-49.5-43.7175172.30000113W68 G71 G72 W77 L78 C164W68-C74 HydrophobicContact CZ2-CB 4.24Å; G71-C74 PolarHBondContact O-N 3.3Å; G72-C74 PolarHBondContact O-N 2.87Å; G72-C74 VanDerWaalsContact O-N 3.09Å; C74-W77 PolarHBondContact O-N 2.74Å; C74-L78 WeakPolarHBondContact O-CB 3.44Å; C74-L78 PolarHBondContact O-N 3.24Å; C74-C164 HydrophobicContact CB-CB 3.82Å; C74-C164 WeakPolarHBondContact CB-SG 3.42Å; C74-C164 VanDerWaalsContact SG-CA 3.53Å; C74-C164 WeakPolarHBondContact SG-CB 3.4Å; C74-C164 CovalentContact SG-SG 2.03Å; C74-C164 PolarHBondContact SG-SG 3.01Å
75K78.1Confident84.9Confident65 Ų6539.8 Ų39.828%0.28325%0.251SS..Hα-helixtrans-65.3-47.6179.8-66.2-168.7-177.8-167.90111.6G72 F73 L78 A79 V137 D140G72-K75 PolarHBondContact O-N 3.41Å; F73-K75 VanDerWaalsContact C-N 3.27Å; F73-K75 PolarHBondContact O-N 3.49Å; K75-L78 PolarHBondContact O-N 3.46Å; K75-A79 PolarHBondContact O-N 3.47Å; K75-V137 HydrophobicContact CB-CG1 4.19Å; K75-V137 WeakPolarHBondContact O-CG1 3.33Å; K75-D140 IonicContact NZ-OD1 3.59Å; K75-D140 PolarHBondContact NZ-OD1 3.11Å; K75-D140 IonicContact NZ-OD2 3.4Å; K75-D140 PolarHBondContact NZ-OD2 3.47Å
76T85.5Confident85.1Confident59 Ų5937.9 Ų37.936%0.36224%0.235SC..Hα-helixtrans-64.9-41.8178.9-52.60000111.4F73 A79 C80F73-T76 HydrophobicContact CD2-CG2 4.38Å; F73-T76 HydrophobicContact CE2-CG2 4Å; F73-T76 PolarHBondContact O-N 3.27Å; T76-A79 PolarHBondContact O-N 3.42Å; T76-C80 WeakPolarHBondContact O-CB 3.33Å; T76-C80 PolarHBondContact O-N 3.25Å; T76-C80 PolarHBondContact O-SG 3.41Å
77W88.4Confident85.7Confident20 Ų2035.4 Ų35.48%0.07621%0.209CC..Hα-helixtrans-59.6-46.9175.217480.8000111.6V55 K59 W68 F73 C74 A79 C80 D81 W297V55-W77 HydrophobicContact CG1-CZ2 4.14Å; V55-W77 PolarHBondContact O-NE1 2.75Å; K59-W77 HydrophobicContact CB-CZ2 3.82Å; K59-W77 HydrophobicContact CD-CH2 4.37Å; K59-W77 HydrophobicContact CD-CZ2 4.34Å; K59-W77 HydrophobicContact CG-CZ2 4.33Å; W68-W77 HydrophobicContact CH2-CB 3.87Å; W68-W77 AromaticContact CH2-CD1 3.99Å; W68-W77 AromaticContact CH2-CD2 3.72Å; W68-W77 HydrophobicContact CH2-CD2 3.72Å; W68-W77 HydrophobicContact CH2-CE3 4.16Å; W68-W77 AromaticContact CH2-CG 3.55Å; W68-W77 HydrophobicContact CH2-CG 3.55Å; W68-W77 HydrophobicContact CZ2-CB 4.12Å; W68-W77 HydrophobicContact CZ2-CG 4.29Å; W68-W77 HydrophobicContact CZ3-CD2 4.14Å; W68-W77 HydrophobicContact CZ3-CE3 4.39Å; W68-W77 HydrophobicContact CZ3-CG 4.39Å; F73-W77 HydrophobicContact CD1-CB 4.11Å; F73-W77 HydrophobicContact CE1-CB 3.91Å; F73-W77 HydrophobicContact CZ-CB 4.42Å; F73-W77 WeakPolarHBondContact O-CB 3.32Å; F73-W77 PolarHBondContact O-N 3.12Å; C74-W77 PolarHBondContact O-N 2.74Å; W77-A79 PolarHBondContact O-N 3.04Å; W77-C80 WeakPolarHBondContact O-CB 3.23Å; W77-C80 PolarHBondContact O-N 3.02Å; W77-D81 PolarHBondContact O-N 3.12Å; W77-W297 HydrophobicContact CH2-CH2 4.28Å; W77-W297 HydrophobicContact CH2-CZ2 4.44Å; W77-W297 AromaticContact CZ2-CH2 3.76Å; W77-W297 HydrophobicContact CZ2-CH2 3.76Å; W77-W297 HydrophobicContact CZ2-CZ2 4.01Å
78L82.8Confident86.2Confident25 Ų2530.1 Ų30.113%0.13119%0.187CC..Hα-helixtrans-61.3-43.7177.2-178.863.2000111.8C74 K75 C80 D81 I82C74-L78 WeakPolarHBondContact O-CB 3.44Å; C74-L78 PolarHBondContact O-N 3.24Å; K75-L78 PolarHBondContact O-N 3.46Å; L78-C80 VanDerWaalsContact C-N 3.34Å; L78-C80 PolarHBondContact O-N 2.89Å; L78-D81 PolarHBondContact O-N 3.25Å; L78-I82 HydrophobicContact CD1-CD1 4.16Å; L78-I82 HydrophobicContact CD1-CG1 4.37Å; L78-I82 HydrophobicContact CG-CD1 4.11Å; L78-I82 VanDerWaalsContact O-CG1 3.32Å; L78-I82 WeakPolarHBondContact O-CG1 3.47Å; L78-I82 PolarHBondContact O-N 3.46Å
79A87Confident86.4Confident1 Ų129.1 Ų29.11%0.00818%0.183CC..Hα-helixtrans-61.3-42.4175.300000112K75 T76 W77 M83 S133 F134 V137K75-A79 PolarHBondContact O-N 3.47Å; T76-A79 PolarHBondContact O-N 3.42Å; W77-A79 PolarHBondContact O-N 3.04Å; A79-M83 VanDerWaalsContact O-CB 3.22Å; A79-M83 WeakPolarHBondContact O-CB 3.33Å; A79-M83 PolarHBondContact O-N 3.17Å; A79-S133 WeakPolarHBondContact O-CB 3.46Å; A79-F134 HydrophobicContact CB-CD1 4.09Å; A79-F134 HydrophobicContact CB-CD2 4.35Å; A79-F134 HydrophobicContact CB-CE1 4.01Å; A79-F134 HydrophobicContact CB-CE2 4.25Å; A79-F134 HydrophobicContact CB-CG 4.26Å; A79-F134 HydrophobicContact CB-CZ 4.09Å; A79-V137 HydrophobicContact CB-CB 4.14Å; A79-V137 HydrophobicContact CB-CG1 4.08Å; A79-V137 HydrophobicContact CB-CG2 4.15Å
80C90.4Very high86.8Confident16 Ų1627.4 Ų27.411%0.10817%0.17CC..Hα-helixtrans-63.4-41.7175.8-73.60000112.2L54 T76 W77 L78 M83 C84L54-C80 HydrophobicContact CB-CB 4.41Å; T76-C80 WeakPolarHBondContact O-CB 3.33Å; T76-C80 PolarHBondContact O-N 3.25Å; T76-C80 PolarHBondContact O-SG 3.41Å; W77-C80 WeakPolarHBondContact O-CB 3.23Å; W77-C80 PolarHBondContact O-N 3.02Å; L78-C80 VanDerWaalsContact C-N 3.34Å; L78-C80 PolarHBondContact O-N 2.89Å; C80-M83 PolarHBondContact O-N 3.31Å; C80-C84 WeakPolarHBondContact O-CB 3.4Å; C80-C84 PolarHBondContact O-N 3.26Å; C80-C84 PolarHBondContact O-SG 3.14Å
81D88.2Confident87.2Confident15 Ų1524.4 Ų24.48%0.0816%0.157CC..Hα-helixtrans-61.3-51.3177.5-179.829.2000111.9V55 W77 L78 M83 C84 S85 W297V55-D81 HydrophobicContact CG1-CB 3.85Å; V55-D81 HydrophobicContact CG2-CB 4.13Å; W77-D81 PolarHBondContact O-N 3.12Å; L78-D81 PolarHBondContact O-N 3.25Å; D81-M83 VanDerWaalsContact C-N 3.3Å; D81-M83 PolarHBondContact O-N 2.96Å; D81-C84 PolarHBondContact O-N 3.07Å; D81-S85 VanDerWaalsContact O-CB 3.29Å; D81-S85 WeakPolarHBondContact O-CB 3.48Å; D81-S85 PolarHBondContact O-N 3.22Å; D81-S85 PolarHBondContact O-OG 3.41Å; D81-S85 PolarHBondContact OD1-OG 3.49Å; D81-W297 PolarHBondContact OD1-NE1 3.29Å
82I85.7Confident87.5Confident23 Ų2322.1 Ų22.112%0.11813%0.133CC..Hα-helixtrans-60.8-44177.2-59.1171.7000109.5L78 C84 S85 T86 S133 Y172L78-I82 HydrophobicContact CD1-CD1 4.16Å; L78-I82 HydrophobicContact CD1-CG1 4.37Å; L78-I82 HydrophobicContact CG-CD1 4.11Å; L78-I82 VanDerWaalsContact O-CG1 3.32Å; L78-I82 WeakPolarHBondContact O-CG1 3.47Å; L78-I82 PolarHBondContact O-N 3.46Å; I82-C84 PolarHBondContact O-N 2.68Å; I82-S85 PolarHBondContact O-N 3.46Å; I82-T86 VanDerWaalsContact O-CB 3.28Å; I82-T86 WeakPolarHBondContact O-CB 3.13Å; I82-T86 PolarHBondContact O-N 2.92Å; I82-T86 PolarHBondContact O-OG1 2.96Å; I82-S133 VanDerWaalsContact C-OG 3.24Å; I82-S133 VanDerWaalsContact CG2-OG 3.22Å; I82-S133 WeakPolarHBondContact CG2-OG 3.43Å; I82-Y172 HydrophobicContact CD1-CE1 4.46Å; I82-Y172 VanDerWaalsContact CD1-OH 3.31Å; I82-Y172 WeakPolarHBondContact CD1-OH 3.46Å
83M92.2Very high88.2Confident20 Ų2019.4 Ų19.410%0.09910%0.103CC..Hα-helixtrans-61.6-49.2-178.2-180-165.265.500111.6L50 A79 C80 D81 T86 A87 V130 S133 F134L50-M83 HydrophobicContact CD1-CE 4.48Å; A79-M83 VanDerWaalsContact O-CB 3.22Å; A79-M83 WeakPolarHBondContact O-CB 3.33Å; A79-M83 PolarHBondContact O-N 3.17Å; C80-M83 PolarHBondContact O-N 3.31Å; D81-M83 VanDerWaalsContact C-N 3.3Å; D81-M83 PolarHBondContact O-N 2.96Å; M83-T86 PolarHBondContact O-N 3.36Å; M83-A87 VanDerWaalsContact O-CB 3.23Å; M83-A87 WeakPolarHBondContact O-CB 3.09Å; M83-A87 PolarHBondContact O-N 2.96Å; M83-V130 HydrophobicContact CG-CG2 4.22Å; M83-V130 HydrophobicContact SD-CG2 3.72Å; M83-S133 WeakPolarHBondContact CA-OG 3.37Å; M83-S133 PolarHBondContact N-OG 3.06Å; M83-F134 HydrophobicContact CB-CE2 4.24Å; M83-F134 HydrophobicContact CG-CE2 4.43Å; M83-F134 HydrophobicContact SD-CD2 4.4Å; M83-F134 HydrophobicContact SD-CE2 3.7Å
84C91.9Very high88.5Confident0 Ų017.1 Ų17.10%010%0.095CC..Hα-helixtrans-67.4-39.6-177.5-61.10000110.9S47 L50 V51 C80 D81 I82 A87 S88S47-C84 PolarHBondContact OG-O 3.48Å; L50-C84 VanDerWaalsContact CB-SG 3.53Å; V51-C84 HydrophobicContact CG2-CB 3.45Å; V51-C84 VanDerWaalsContact CG2-CB 3.45Å; C80-C84 WeakPolarHBondContact O-CB 3.4Å; C80-C84 PolarHBondContact O-N 3.26Å; C80-C84 PolarHBondContact O-SG 3.14Å; D81-C84 PolarHBondContact O-N 3.07Å; I82-C84 PolarHBondContact O-N 2.68Å; C84-A87 PolarHBondContact O-N 2.77Å; C84-S88 WeakPolarHBondContact O-CB 3.44Å; C84-S88 PolarHBondContact O-N 2.88Å; C84-S88 PolarHBondContact O-OG 3.23Å
85S87.7Confident88.8Confident15 Ų1516.2 Ų16.211%0.1059%0.088CC..Hα-helixtrans-64.1-45.9176.3-59.90000111.8D81 I82 S88 I89 W256D81-S85 VanDerWaalsContact O-CB 3.29Å; D81-S85 WeakPolarHBondContact O-CB 3.48Å; D81-S85 PolarHBondContact O-N 3.22Å; D81-S85 PolarHBondContact O-OG 3.41Å; D81-S85 PolarHBondContact OD1-OG 3.49Å; I82-S85 PolarHBondContact O-N 3.46Å; S85-S88 PolarHBondContact O-N 3.33Å; S85-I89 WeakPolarHBondContact O-CG2 3.27Å; S85-I89 PolarHBondContact O-N 3.44Å; S85-I89 VanDerWaalsContact O-N 3.13Å; S85-W256 WeakPolarHBondContact OG-CH2 3.46Å
86T90.5Very high89.1Confident2 Ų213.1 Ų13.11%0.0127%0.074CC..Hα-helixtrans-65.7-38.7176-58.30000111.8I82 M83 I89 L90 S129 S180I82-T86 VanDerWaalsContact O-CB 3.28Å; I82-T86 WeakPolarHBondContact O-CB 3.13Å; I82-T86 PolarHBondContact O-N 2.92Å; I82-T86 PolarHBondContact O-OG1 2.96Å; M83-T86 PolarHBondContact O-N 3.36Å; T86-I89 VanDerWaalsContact O-CG2 3.3Å; T86-I89 WeakPolarHBondContact O-CG2 3.29Å; T86-L90 HydrophobicContact CG2-CD1 3.83Å; T86-L90 HydrophobicContact CG2-CG 4.27Å; T86-L90 VanDerWaalsContact O-CB 3.29Å; T86-L90 WeakPolarHBondContact O-CB 3.46Å; T86-L90 VanDerWaalsContact O-CG 3.23Å; T86-L90 WeakPolarHBondContact O-CG 3.36Å; T86-L90 PolarHBondContact O-N 3.4Å; T86-S129 VanDerWaalsContact C-OG 3.31Å; T86-S180 VanDerWaalsContact OG1-CB 3.28Å; T86-S180 WeakPolarHBondContact OG1-CB 3.43Å; T86-S180 PolarHBondContact OG1-OG 2.84Å
87A93.6Very high89.3Confident0 Ų012.9 Ų12.90%07%0.072CC..Hα-helixtrans-64.4-43.7174.400000111.5S47 M83 C84 I89 N91 W126 S129S47-A87 WeakPolarHBondContact OG-CB 3.24Å; M83-A87 VanDerWaalsContact O-CB 3.23Å; M83-A87 WeakPolarHBondContact O-CB 3.09Å; M83-A87 PolarHBondContact O-N 2.96Å; C84-A87 PolarHBondContact O-N 2.77Å; A87-I89 PolarHBondContact O-N 3.36Å; A87-N91 WeakPolarHBondContact O-CB 3.44Å; A87-N91 PolarHBondContact O-N 3.47Å; A87-N91 PolarHBondContact O-ND2 2.96Å; A87-W126 HydrophobicContact CB-CE3 4.29Å; A87-W126 HydrophobicContact CB-CZ3 4.24Å; A87-S129 WeakPolarHBondContact CA-OG 3.33Å; A87-S129 PolarHBondContact N-OG 2.7Å
88S91.2Very high89.3Confident4 Ų412 Ų123%0.0287%0.069CC..Hα-helixtrans-62.6-46-180-72.20000112L44 S47 D48 C84 S85 N91 L92L44-S88 WeakPolarHBondContact CD1-O 3.43Å; S47-S88 WeakPolarHBondContact CB-OG 3.35Å; S47-S88 PolarHBondContact OG-N 3.46Å; S47-S88 VanDerWaalsContact OG-N 3.13Å; S47-S88 PolarHBondContact OG-OG 3.22Å; D48-S88 PolarHBondContact OD1-OG 2.92Å; C84-S88 WeakPolarHBondContact O-CB 3.44Å; C84-S88 PolarHBondContact O-N 2.88Å; C84-S88 PolarHBondContact O-OG 3.23Å; S85-S88 PolarHBondContact O-N 3.33Å; S88-N91 PolarHBondContact O-N 3.04Å; S88-L92 WeakPolarHBondContact O-CG 3.17Å; S88-L92 PolarHBondContact O-N 3.26Å
89I88.9Confident89.4Confident2 Ų212.9 Ų12.91%0.017%0.071CC..Hα-helixtrans-71-38.2179.8-167.1178.3000113.6S85 T86 A87 N91 L92 C93 S180 F181 P184 V185 F252S85-I89 WeakPolarHBondContact O-CG2 3.27Å; S85-I89 PolarHBondContact O-N 3.44Å; S85-I89 VanDerWaalsContact O-N 3.13Å; T86-I89 VanDerWaalsContact O-CG2 3.3Å; T86-I89 WeakPolarHBondContact O-CG2 3.29Å; A87-I89 PolarHBondContact O-N 3.36Å; I89-N91 VanDerWaalsContact C-N 3.32Å; I89-N91 PolarHBondContact O-N 3.02Å; I89-L92 WeakPolarHBondContact O-CB 3.43Å; I89-L92 PolarHBondContact O-N 3.3Å; I89-C93 WeakPolarHBondContact O-CB 3.33Å; I89-C93 PolarHBondContact O-N 3.46Å; I89-S180 WeakPolarHBondContact CD1-O 3.49Å; I89-S180 WeakPolarHBondContact CG2-O 3.25Å; I89-F181 HydrophobicContact CD1-CB 4.45Å; I89-F181 HydrophobicContact CD1-CD2 3.72Å; I89-F181 HydrophobicContact CD1-CE2 4.43Å; I89-F181 HydrophobicContact CD1-CG 4.41Å; I89-P184 HydrophobicContact CD1-CB 3.74Å; I89-P184 HydrophobicContact CD1-CG 4.25Å; I89-P184 HydrophobicContact CG1-CB 3.82Å; I89-V185 HydrophobicContact CD1-CG2 4.12Å; I89-F252 HydrophobicContact CB-CE1 4.04Å; I89-F252 HydrophobicContact CB-CE2 4.15Å; I89-F252 HydrophobicContact CB-CZ 3.49Å; I89-F252 VanDerWaalsContact CB-CZ 3.49Å; I89-F252 HydrophobicContact CD1-CD1 4.49Å; I89-F252 HydrophobicContact CD1-CE1 3.39Å; I89-F252 HydrophobicContact CD1-CZ 3.67Å; I89-F252 HydrophobicContact CG1-CD1 4.38Å; I89-F252 HydrophobicContact CG1-CE1 3.46Å; I89-F252 VanDerWaalsContact CG1-CE1 3.46Å; I89-F252 HydrophobicContact CG1-CE2 4.39Å; I89-F252 HydrophobicContact CG1-CZ 3.5Å; I89-F252 VanDerWaalsContact CG1-CZ 3.5Å
90L91.7Very high89.3Confident28 Ų2816.6 Ų16.615%0.1479%0.085CC..Hα-helixtrans-66.3-36.8175.5-72.7178.9000111.3T86 C93 V94 T125 V128 P184T86-L90 HydrophobicContact CG2-CD1 3.83Å; T86-L90 HydrophobicContact CG2-CG 4.27Å; T86-L90 VanDerWaalsContact O-CB 3.29Å; T86-L90 WeakPolarHBondContact O-CB 3.46Å; T86-L90 VanDerWaalsContact O-CG 3.23Å; T86-L90 WeakPolarHBondContact O-CG 3.36Å; T86-L90 PolarHBondContact O-N 3.4Å; L90-C93 WeakPolarHBondContact O-CB 3.4Å; L90-C93 PolarHBondContact O-N 3.34Å; L90-V94 WeakPolarHBondContact O-CG2 3.29Å; L90-V94 PolarHBondContact O-N 3.03Å; L90-T125 HydrophobicContact CB-CG2 3.5Å; L90-T125 VanDerWaalsContact CB-CG2 3.5Å; L90-T125 HydrophobicContact CD1-CG2 4.45Å; L90-V128 HydrophobicContact CD1-CB 4.18Å; L90-V128 HydrophobicContact CD1-CG1 3.79Å; L90-P184 HydrophobicContact CD2-CG 3.95Å
91N92.6Very high89.1Confident0 Ų020.1 Ų20.10%010%0.096CC..Hα-helixtrans-62.1-42.1171.8-83.5-69000111.5S43 L44 A87 S88 I89 V94 I95S43-N91 VanDerWaalsContact CB-OD1 3.23Å; S43-N91 WeakPolarHBondContact CB-OD1 3.32Å; S43-N91 PolarHBondContact OG-ND2 3.43Å; S43-N91 PolarHBondContact OG-OD1 2.88Å; L44-N91 HydrophobicContact CB-CB 4.13Å; L44-N91 HydrophobicContact CD1-CB 3.9Å; A87-N91 WeakPolarHBondContact O-CB 3.44Å; A87-N91 PolarHBondContact O-N 3.47Å; A87-N91 PolarHBondContact O-ND2 2.96Å; S88-N91 PolarHBondContact O-N 3.04Å; I89-N91 VanDerWaalsContact C-N 3.32Å; I89-N91 PolarHBondContact O-N 3.02Å; N91-V94 PolarHBondContact O-N 3.49Å; N91-I95 VanDerWaalsContact O-CG1 3.24Å; N91-I95 WeakPolarHBondContact O-CG1 3.46Å; N91-I95 PolarHBondContact O-N 3.48Å
92L87.9Confident88.8Confident2 Ų220.3 Ų20.31%0.0110%0.1CC..Hα-helixtrans-62.6-40.8173.4-74.5172.9000112.4L44 S88 I89 I95 S96 M188 I248 M249 F252L44-L92 HydrophobicContact CD1-CG 4.21Å; L44-L92 HydrophobicContact CD2-CD2 3.59Å; L44-L92 HydrophobicContact CD2-CG 4.01Å; S88-L92 WeakPolarHBondContact O-CG 3.17Å; S88-L92 PolarHBondContact O-N 3.26Å; I89-L92 WeakPolarHBondContact O-CB 3.43Å; I89-L92 PolarHBondContact O-N 3.3Å; L92-I95 PolarHBondContact O-N 3.42Å; L92-S96 PolarHBondContact O-N 2.9Å; L92-S96 PolarHBondContact O-OG 3.43Å; L92-M188 HydrophobicContact CB-CE 4.38Å; L92-M188 HydrophobicContact CB-SD 4.18Å; L92-I248 HydrophobicContact CD2-CG2 3.61Å; L92-M249 HydrophobicContact CB-CE 3.95Å; L92-M249 HydrophobicContact CB-SD 4.45Å; L92-M249 HydrophobicContact CD2-CE 4.13Å; L92-M249 HydrophobicContact CD2-SD 4.11Å; L92-M249 WeakPolarHBondContact O-CE 3.22Å; L92-F252 HydrophobicContact CD1-CB 3.97Å; L92-F252 HydrophobicContact CD1-CD1 4.38Å; L92-F252 HydrophobicContact CD1-CD2 3.16Å; L92-F252 HydrophobicContact CD1-CE2 3.76Å; L92-F252 HydrophobicContact CD1-CG 3.56Å
93C90.2Very high88.4Confident13 Ų1321 Ų219%0.08810%0.103CC..Hα-helixtrans-60.8-47175-173.30000111.2I89 L90 I95 S96 V97 P184 I187 M188I89-C93 WeakPolarHBondContact O-CB 3.33Å; I89-C93 PolarHBondContact O-N 3.46Å; L90-C93 WeakPolarHBondContact O-CB 3.4Å; L90-C93 PolarHBondContact O-N 3.34Å; C93-I95 VanDerWaalsContact C-N 3.35Å; C93-I95 PolarHBondContact O-N 3.1Å; C93-S96 WeakPolarHBondContact O-CA 3.47Å; C93-S96 WeakPolarHBondContact O-CB 3.45Å; C93-S96 PolarHBondContact O-N 3.22Å; C93-V97 WeakPolarHBondContact O-CG2 3.46Å; C93-V97 PolarHBondContact O-N 2.92Å; C93-P184 HydrophobicContact CB-CB 4.35Å; C93-I187 VanDerWaalsContact SG-CG2 3.56Å; C93-M188 HydrophobicContact CB-CG 4.24Å; C93-M188 HydrophobicContact CB-SD 4.43Å
94V91.5Very high87.7Confident22 Ų2221.9 Ų21.913%0.13311%0.111CC..Hα-helixtrans-61.1-42.5175.4170.60000111.5F40 L90 N91 S96 V97 D98 M121F40-V94 HydrophobicContact CD1-CG1 3.57Å; F40-V94 HydrophobicContact CE1-CG1 3.61Å; F40-V94 HydrophobicContact CG-CG1 4.13Å; F40-V94 HydrophobicContact CZ-CG1 4.19Å; L90-V94 WeakPolarHBondContact O-CG2 3.29Å; L90-V94 PolarHBondContact O-N 3.03Å; N91-V94 PolarHBondContact O-N 3.49Å; V94-S96 VanDerWaalsContact C-N 3.27Å; V94-S96 PolarHBondContact O-N 2.76Å; V94-V97 PolarHBondContact O-N 2.9Å; V94-D98 VanDerWaalsContact O-CB 3.31Å; V94-D98 WeakPolarHBondContact O-CB 3.25Å; V94-D98 PolarHBondContact O-N 3.34Å; V94-M121 HydrophobicContact CG1-CB 4.21Å; V94-M121 HydrophobicContact CG1-SD 4.28Å
95I89.1Confident87.1Confident8 Ų824.2 Ų24.24%0.04113%0.128CC..Hα-helixtrans-58.1-42.7173.5-69163.5000110.2F40 I41 L44 N91 L92 C93 V97 D98 R99 L245F40-I95 HydrophobicContact CB-CD1 4.17Å; F40-I95 HydrophobicContact CB-CG1 3.53Å; F40-I95 HydrophobicContact CG-CG1 4.41Å; I41-I95 HydrophobicContact CG1-CD1 4.49Å; L44-I95 HydrophobicContact CD2-CD1 4.33Å; N91-I95 VanDerWaalsContact O-CG1 3.24Å; N91-I95 WeakPolarHBondContact O-CG1 3.46Å; N91-I95 PolarHBondContact O-N 3.48Å; L92-I95 PolarHBondContact O-N 3.42Å; C93-I95 VanDerWaalsContact C-N 3.35Å; C93-I95 PolarHBondContact O-N 3.1Å; I95-V97 PolarHBondContact O-N 3.44Å; I95-D98 PolarHBondContact O-N 3.44Å; I95-R99 HydrophobicContact CG2-CG 4.25Å; I95-R99 WeakPolarHBondContact O-CB 3.45Å; I95-R99 WeakPolarHBondContact O-CG 3.25Å; I95-R99 PolarHBondContact O-N 3.4Å; I95-L245 HydrophobicContact CG2-CD2 4.47Å
96S84.9Confident86.7Confident0 Ų027 Ų270%015%0.145CC..Hα-helixtrans-59.3-47.9177.5-47.20000112.2L92 C93 V94 R99 Y100 M188 Y192 M249L92-S96 PolarHBondContact O-N 2.9Å; L92-S96 PolarHBondContact O-OG 3.43Å; C93-S96 WeakPolarHBondContact O-CA 3.47Å; C93-S96 WeakPolarHBondContact O-CB 3.45Å; C93-S96 PolarHBondContact O-N 3.22Å; V94-S96 VanDerWaalsContact C-N 3.27Å; V94-S96 PolarHBondContact O-N 2.76Å; S96-R99 PolarHBondContact O-N 3.33Å; S96-Y100 WeakPolarHBondContact O-CB 3.29Å; S96-Y100 PolarHBondContact O-N 3.14Å; S96-M188 WeakPolarHBondContact OG-CG 3.36Å; S96-Y192 WeakPolarHBondContact OG-CE2 3.18Å; S96-M249 WeakPolarHBondContact OG-CE 3.26Å
97V88.1Confident86.2Confident54 Ų5435.1 Ų35.133%0.32718%0.181SC..Hα-helixtrans-66.1-44.4-179.8173.30000110.5C93 V94 I95 R99 Y100 W101 I187 T191C93-V97 WeakPolarHBondContact O-CG2 3.46Å; C93-V97 PolarHBondContact O-N 2.92Å; V94-V97 PolarHBondContact O-N 2.9Å; I95-V97 PolarHBondContact O-N 3.44Å; V97-R99 VanDerWaalsContact C-N 3.34Å; V97-R99 PolarHBondContact O-N 3.5Å; V97-Y100 PolarHBondContact O-N 3.1Å; V97-W101 WeakPolarHBondContact O-CB 3.41Å; V97-W101 PolarHBondContact O-N 2.98Å; V97-I187 HydrophobicContact CG2-CG2 4.27Å; V97-T191 HydrophobicContact CG2-CG2 4.3Å
98D89.1Confident85.8Confident2 Ų238.5 Ų38.51%0.01120%0.204CC..Hα-helixtrans-57.5-46.1175.3170.776.4000111.5T37 F40 V94 I95 W101 A102 Y109T37-D98 WeakPolarHBondContact CG2-OD2 3.3Å; T37-D98 PolarHBondContact OG1-OD2 2.68Å; T37-D98 VanDerWaalsContact OG1-OD2 3.12Å; F40-D98 HydrophobicContact CD2-CB 4.23Å; F40-D98 HydrophobicContact CE2-CB 3.96Å; V94-D98 VanDerWaalsContact O-CB 3.31Å; V94-D98 WeakPolarHBondContact O-CB 3.25Å; V94-D98 PolarHBondContact O-N 3.34Å; I95-D98 PolarHBondContact O-N 3.44Å; D98-W101 PolarHBondContact O-N 2.98Å; D98-A102 WeakPolarHBondContact O-CB 3.31Å; D98-A102 PolarHBondContact O-N 2.91Å; D98-Y109 WeakPolarHBondContact OD1-CE2 3.43Å; D98-Y109 PolarHBondContact OD1-OH 3.45Å
99R85.1Confident85.5Confident44 Ų4439.9 Ų39.917%0.16621%0.209CC..Hα-helixtrans-67.9-39.8177.4-64.7-6283.7-153-11.5112T37 I95 S96 V97 A102 I103 Y109 I195 L245T37-R99 PolarHBondContact OG1-NH2 2.94Å; I95-R99 HydrophobicContact CG2-CG 4.25Å; I95-R99 WeakPolarHBondContact O-CB 3.45Å; I95-R99 WeakPolarHBondContact O-CG 3.25Å; I95-R99 PolarHBondContact O-N 3.4Å; S96-R99 PolarHBondContact O-N 3.33Å; V97-R99 VanDerWaalsContact C-N 3.34Å; V97-R99 PolarHBondContact O-N 3.5Å; R99-A102 PolarHBondContact O-N 2.98Å; R99-I103 WeakPolarHBondContact O-CB 3.41Å; R99-I103 VanDerWaalsContact O-CG1 3.24Å; R99-I103 WeakPolarHBondContact O-CG1 3.48Å; R99-I103 PolarHBondContact O-N 3.49Å; R99-I103 VanDerWaalsContact O-N 3.13Å; R99-Y109 PolarHBondContact NH2-OH 3.49Å; R99-I195 HydrophobicContact CB-CD1 4.45Å; R99-L245 HydrophobicContact CB-CD1 4.18Å; R99-L245 HydrophobicContact CG-CD1 3.65Å; R99-L245 HydrophobicContact CG-CD2 4.29Å
100Y83.8Confident85.2Confident78 Ų7847.4 Ų47.431%0.30624%0.244SC..Hα-helixtrans-60.3-46.2174173.3-115.4000111.4S96 V97 I103 S104 R194 I195 I198S96-Y100 WeakPolarHBondContact O-CB 3.29Å; S96-Y100 PolarHBondContact O-N 3.14Å; V97-Y100 PolarHBondContact O-N 3.1Å; Y100-I103 PolarHBondContact O-N 2.87Å; Y100-S104 WeakPolarHBondContact O-CB 3.35Å; Y100-S104 PolarHBondContact O-N 3.23Å; Y100-S104 PolarHBondContact O-OG 2.87Å; Y100-R194 HydrophobicContact CD2-CB 4.19Å; Y100-R194 HydrophobicContact CE2-CB 3.67Å; Y100-I195 HydrophobicContact CD2-CG1 3.78Å; Y100-I195 HydrophobicContact CG-CG1 4.36Å; Y100-I198 HydrophobicContact CE2-CD1 3.92Å
101W86.9Confident84.9Confident91 Ų9156.8 Ų56.835%0.34528%0.277SS..Hα-helixtrans-62.6-48178.9-165.8-11.3000111.4V97 D98 I103 S104 S105 Y109 M113V97-W101 WeakPolarHBondContact O-CB 3.41Å; V97-W101 PolarHBondContact O-N 2.98Å; D98-W101 PolarHBondContact O-N 2.98Å; W101-I103 PolarHBondContact O-N 3.06Å; W101-S104 PolarHBondContact O-N 2.64Å; W101-S104 PolarHBondContact O-OG 3.42Å; W101-S105 PolarHBondContact O-N 2.81Å; W101-Y109 HydrophobicContact CB-CD2 4.02Å; W101-Y109 HydrophobicContact CD2-CD2 4.4Å; W101-Y109 AromaticContact CG-CD2 3.93Å; W101-Y109 HydrophobicContact CG-CD2 3.93Å; W101-M113 HydrophobicContact CE3-CE 4Å; W101-M113 HydrophobicContact CZ3-CE 4.2Å
102A83Confident84.6Confident18 Ų1859 Ų5915%0.14929%0.293CS..Hα-helixtrans-57.1-36.6178.300000113.3D98 R99 P106 Y109D98-A102 WeakPolarHBondContact O-CB 3.31Å; D98-A102 PolarHBondContact O-N 2.91Å; R99-A102 PolarHBondContact O-N 2.98Å; A102-P106 WeakPolarHBondContact O-CA 3.44Å; A102-Y109 HydrophobicContact CB-CD1 3.94Å; A102-Y109 HydrophobicContact CB-CD2 3.86Å; A102-Y109 HydrophobicContact CB-CE1 3.98Å; A102-Y109 HydrophobicContact CB-CE2 3.88Å; A102-Y109 HydrophobicContact CB-CG 3.88Å
103I76.7Confident84.7Confident37 Ų3759.6 Ų59.619%0.1930%0.296CS..Hα-helixtrans-88.1-38.4-175.5-65173.8000112.2R99 Y100 W101 I195 I198 L242R99-I103 WeakPolarHBondContact O-CB 3.41Å; R99-I103 VanDerWaalsContact O-CG1 3.24Å; R99-I103 WeakPolarHBondContact O-CG1 3.48Å; R99-I103 PolarHBondContact O-N 3.49Å; R99-I103 VanDerWaalsContact O-N 3.13Å; Y100-I103 PolarHBondContact O-N 2.87Å; W101-I103 PolarHBondContact O-N 3.06Å; I103-I195 HydrophobicContact CD1-CG2 4.06Å; I103-I198 HydrophobicContact CG2-CG2 4.12Å; I103-L242 HydrophobicContact CD1-CD1 4.36Å; I103-L242 HydrophobicContact CD1-CD2 3.35Å; I103-L242 HydrophobicContact CD1-CG 4.12Å
104S76.8Confident84.7Confident39 Ų3962.7 Ų62.727%0.27331%0.311SS..Hα-helixtrans-74.1-29.3-179.759.40000112.6Y100 W101Y100-S104 WeakPolarHBondContact O-CB 3.35Å; Y100-S104 PolarHBondContact O-N 3.23Å; Y100-S104 PolarHBondContact O-OG 2.87Å; W101-S104 PolarHBondContact O-N 2.64Å; W101-S104 PolarHBondContact O-OG 3.42Å
105S80.2Confident84.6Confident50 Ų5067.4 Ų67.435%0.3533%0.33SS..  trans-151.777.3-175.9-660000111.6W101 F107 C108 Y109W101-S105 PolarHBondContact O-N 2.81Å; S105-F107 PolarHBondContact O-N 3.41Å; S105-C108 PolarHBondContact O-N 3.27Å; S105-Y109 VanDerWaalsContact O-CB 3.31Å; S105-Y109 WeakPolarHBondContact O-CB 3.36Å; S105-Y109 PolarHBondContact O-N 3.43Å
106P78.8Confident84.7Confident72 Ų7276.8 Ų76.847%0.46837%0.365SS..Hα-helixtrans-61.4-44-172.721.8-32.8000113.6A102 Y109 E110A102-P106 WeakPolarHBondContact O-CA 3.44Å; P106-Y109 WeakPolarHBondContact O-CB 3.27Å; P106-Y109 PolarHBondContact O-N 2.99Å; P106-E110 PolarHBondContact O-N 2.81Å
107F81.1Confident85.1Confident173 Ų17379.1 Ų79.176%0.75938%0.379SS*.Hα-helixtrans-67.6-39.4-179.9-60.4-67000112.9S105 Y109 R111S105-F107 PolarHBondContact O-N 3.41Å; F107-Y109 VanDerWaalsContact C-N 3.34Å; F107-R111 WeakPolarHBondContact O-CB 3.22Å; F107-R111 PolarHBondContact O-N 3.3Å
108C83.8Confident85.4Confident71 Ų7176.6 Ų76.648%0.4836%0.364SS..Hα-helixtrans-69.7-35.9176-60.80000111.3S105 S112S105-C108 PolarHBondContact O-N 3.27Å; C108-S112 WeakPolarHBondContact O-CB 3.44Å; C108-S112 PolarHBondContact O-N 3.25Å; C108-S112 PolarHBondContact O-OG 3.43Å
109Y85.6Confident85.6Confident34 Ų3482.6 Ų82.613%0.13339%0.39CS..Hα-helixtrans-62.9-50.4175.5179.8-94.1000111.2D98 R99 W101 A102 S105 P106 F107 R111 S112 M113D98-Y109 WeakPolarHBondContact OD1-CE2 3.43Å; D98-Y109 PolarHBondContact OD1-OH 3.45Å; R99-Y109 PolarHBondContact NH2-OH 3.49Å; W101-Y109 HydrophobicContact CB-CD2 4.02Å; W101-Y109 HydrophobicContact CD2-CD2 4.4Å; W101-Y109 AromaticContact CG-CD2 3.93Å; W101-Y109 HydrophobicContact CG-CD2 3.93Å; A102-Y109 HydrophobicContact CB-CD1 3.94Å; A102-Y109 HydrophobicContact CB-CD2 3.86Å; A102-Y109 HydrophobicContact CB-CE1 3.98Å; A102-Y109 HydrophobicContact CB-CE2 3.88Å; A102-Y109 HydrophobicContact CB-CG 3.88Å; S105-Y109 VanDerWaalsContact O-CB 3.31Å; S105-Y109 WeakPolarHBondContact O-CB 3.36Å; S105-Y109 PolarHBondContact O-N 3.43Å; P106-Y109 WeakPolarHBondContact O-CB 3.27Å; P106-Y109 PolarHBondContact O-N 2.99Å; F107-Y109 VanDerWaalsContact C-N 3.34Å; Y109-R111 VanDerWaalsContact C-N 3.28Å; Y109-R111 PolarHBondContact O-N 2.94Å; Y109-S112 PolarHBondContact O-N 3.44Å; Y109-M113 HydrophobicContact CD1-CB 4.36Å; Y109-M113 HydrophobicContact CD2-CB 3.87Å; Y109-M113 HydrophobicContact CD2-CE 4.4Å; Y109-M113 HydrophobicContact CD2-CG 4.35Å; Y109-M113 HydrophobicContact CE1-CB 4.17Å; Y109-M113 HydrophobicContact CE1-CG 4.32Å; Y109-M113 HydrophobicContact CE2-CB 3.68Å; Y109-M113 HydrophobicContact CE2-CE 3.8Å; Y109-M113 HydrophobicContact CE2-CG 3.65Å; Y109-M113 HydrophobicContact CG-CB 4.22Å; Y109-M113 WeakPolarHBondContact O-CA 3.13Å; Y109-M113 WeakPolarHBondContact O-CB 3.3Å; Y109-M113 PolarHBondContact O-N 2.89Å
110E83.3Confident86.1Confident159 Ų15984.6 Ų84.674%0.74341%0.407SS*.Hα-helixtrans-61.6-36.3-179.8-169.8172.9-168.700112.6P106P106-E110 PolarHBondContact O-N 2.81Å
111R85.4Confident86.6Confident226 Ų22683 Ų8385%0.85340%0.403SS*.Hα-helixtrans-74.5-35176.9178.4175.2151-177.4-6113.7F107 Y109F107-R111 WeakPolarHBondContact O-CB 3.22Å; F107-R111 PolarHBondContact O-N 3.3Å; Y109-R111 VanDerWaalsContact C-N 3.28Å; Y109-R111 PolarHBondContact O-N 2.94Å
112S86Confident87.1Confident47 Ų4779.7 Ų79.733%0.32939%0.391SS..Hα-helixtrans-100.4-37.4-169.7-49.50000113.3C108 Y109 N114C108-S112 WeakPolarHBondContact O-CB 3.44Å; C108-S112 PolarHBondContact O-N 3.25Å; C108-S112 PolarHBondContact O-OG 3.43Å; Y109-S112 PolarHBondContact O-N 3.44Å; S112-N114 PolarHBondContact O-N 3.39Å
113M88.4Confident87.7Confident14 Ų1480.3 Ų80.37%0.06940%0.4CS..  trans-79.8109.4-175.9-172.560.372.100110.4V36 W101 Y109 V117 M121V36-M113 HydrophobicContact CB-CG 4.34Å; V36-M113 HydrophobicContact CG1-CG 3.92Å; V36-M113 HydrophobicContact CG1-SD 4.21Å; W101-M113 HydrophobicContact CE3-CE 4Å; W101-M113 HydrophobicContact CZ3-CE 4.2Å; Y109-M113 HydrophobicContact CD1-CB 4.36Å; Y109-M113 HydrophobicContact CD2-CB 3.87Å; Y109-M113 HydrophobicContact CD2-CE 4.4Å; Y109-M113 HydrophobicContact CD2-CG 4.35Å; Y109-M113 HydrophobicContact CE1-CB 4.17Å; Y109-M113 HydrophobicContact CE1-CG 4.32Å; Y109-M113 HydrophobicContact CE2-CB 3.68Å; Y109-M113 HydrophobicContact CE2-CE 3.8Å; Y109-M113 HydrophobicContact CE2-CG 3.65Å; Y109-M113 HydrophobicContact CG-CB 4.22Å; Y109-M113 WeakPolarHBondContact O-CA 3.13Å; Y109-M113 WeakPolarHBondContact O-CB 3.3Å; Y109-M113 PolarHBondContact O-N 2.89Å; M113-V117 HydrophobicContact SD-CB 4.32Å; M113-V117 HydrophobicContact SD-CG1 4.21Å; M113-M121 HydrophobicContact CE-CE 3.61Å; M113-M121 HydrophobicContact SD-CE 3.77Å
114N90.6Very high88.6Confident77 Ų7782.5 Ų82.541%0.41242%0.415SS..  trans-130.8173.717565.450000110.7S112 R116 V117 A118S112-N114 PolarHBondContact O-N 3.39Å; N114-R116 PolarHBondContact O-N 3.15Å; N114-R116 WeakPolarHBondContact OD1-CA 3.22Å; N114-R116 VanDerWaalsContact OD1-CB 3.25Å; N114-R116 WeakPolarHBondContact OD1-CB 3.35Å; N114-R116 PolarHBondContact OD1-N 3.2Å; N114-V117 PolarHBondContact O-N 2.89Å; N114-V117 PolarHBondContact OD1-N 3.47Å; N114-A118 PolarHBondContact O-N 3.41Å
115K89.6Confident89.4Confident122 Ų12281 Ų8153%0.5340%0.404SS..Hα-helixtrans-58.1-35.1-178.7-64.3-177.8-178.1173.40112.8I39 A118 F119I39-K115 HydrophobicContact CD1-CG 4.08Å; K115-A118 PolarHBondContact O-N 2.9Å; K115-F119 HydrophobicContact CB-CD2 4.34Å; K115-F119 HydrophobicContact CB-CE2 4.24Å; K115-F119 WeakPolarHBondContact O-CD2 3.28Å; K115-F119 PolarHBondContact O-N 3.22Å
116R92.4Very high90.2Very high204 Ų20481.2 Ų81.277%0.7740%0.397SS*.Hα-helixtrans-64.9-46.8179.4-172.3179.9-177.7175.21.2110.8N114 A118 F119 V120N114-R116 PolarHBondContact O-N 3.15Å; N114-R116 WeakPolarHBondContact OD1-CA 3.22Å; N114-R116 VanDerWaalsContact OD1-CB 3.25Å; N114-R116 WeakPolarHBondContact OD1-CB 3.35Å; N114-R116 PolarHBondContact OD1-N 3.2Å; R116-A118 VanDerWaalsContact C-N 3.31Å; R116-A118 PolarHBondContact O-N 3.4Å; R116-F119 PolarHBondContact O-N 3.42Å; R116-V120 VanDerWaalsContact O-CG2 3.31Å; R116-V120 WeakPolarHBondContact O-CG2 3.22Å; R116-V120 PolarHBondContact O-N 3Å
117V93.2Very high91Very high50 Ų5082 Ų8230%0.30340%0.4SS..Hα-helixtrans-61.1-42.6175.7-175.80000110.5M113 N114 V120 M121M113-V117 HydrophobicContact SD-CB 4.32Å; M113-V117 HydrophobicContact SD-CG1 4.21Å; N114-V117 PolarHBondContact O-N 2.89Å; N114-V117 PolarHBondContact OD1-N 3.47Å; V117-V120 PolarHBondContact O-N 3.2Å; V117-M121 HydrophobicContact CG1-CE 4.07Å; V117-M121 WeakPolarHBondContact O-CG 3.46Å; V117-M121 PolarHBondContact O-N 3.01Å
118A93Very high91.5Very high0 Ų076.4 Ų76.40%038%0.38CS..Hα-helixtrans-60.6-46.9176.400000113V36 I39 F40 N114 K115 R116 V120 M121 I122V36-A118 HydrophobicContact CG1-CB 3.59Å; I39-A118 HydrophobicContact CD1-CB 4.5Å; F40-A118 HydrophobicContact CE1-CB 3.86Å; F40-A118 HydrophobicContact CE2-CB 4.43Å; F40-A118 HydrophobicContact CZ-CB 3.54Å; N114-A118 PolarHBondContact O-N 3.41Å; K115-A118 PolarHBondContact O-N 2.9Å; R116-A118 VanDerWaalsContact C-N 3.31Å; R116-A118 PolarHBondContact O-N 3.4Å; A118-V120 VanDerWaalsContact C-N 3.32Å; A118-V120 PolarHBondContact O-N 2.89Å; A118-M121 PolarHBondContact O-N 3.26Å; A118-I122 WeakPolarHBondContact O-CB 3.43Å; A118-I122 VanDerWaalsContact O-CG1 3.31Å; A118-I122 WeakPolarHBondContact O-CG1 3.4Å; A118-I122 PolarHBondContact O-N 2.94Å
119F94.7Very high91.9Very high129 Ų12973 Ų7357%0.56636%0.358SS*.Hα-helixtrans-64.2-35.5176.1-77-61.3000112.7I39 K115 R116 G123I39-F119 HydrophobicContact CG2-CE1 4.35Å; K115-F119 HydrophobicContact CB-CD2 4.34Å; K115-F119 HydrophobicContact CB-CE2 4.24Å; K115-F119 WeakPolarHBondContact O-CD2 3.28Å; K115-F119 PolarHBondContact O-N 3.22Å; R116-F119 PolarHBondContact O-N 3.42Å; F119-G123 PolarHBondContact O-N 2.96Å
120V95.4Very high92.3Very high86 Ų8674.3 Ų74.352%0.52137%0.369SS..Hα-helixtrans-64.6-48.1173.9169.70000110.8R116 V117 A118 I122 G123 V124R116-V120 VanDerWaalsContact O-CG2 3.31Å; R116-V120 WeakPolarHBondContact O-CG2 3.22Å; R116-V120 PolarHBondContact O-N 3Å; V117-V120 PolarHBondContact O-N 3.2Å; A118-V120 VanDerWaalsContact C-N 3.32Å; A118-V120 PolarHBondContact O-N 2.89Å; V120-I122 VanDerWaalsContact C-N 3.32Å; V120-I122 PolarHBondContact O-N 3.08Å; V120-G123 PolarHBondContact O-N 3.36Å; V120-V124 HydrophobicContact CG1-CG2 4.5Å; V120-V124 WeakPolarHBondContact O-CG2 3.5Å; V120-V124 PolarHBondContact O-N 3.28Å
121M94.4Very high92.6Very high44 Ų4470.5 Ų70.522%0.21736%0.356CS..Hα-helixtrans-60.3-43178-69.6-171.2-69.700111.7F40 V94 M113 V117 A118 V124 T125F40-M121 HydrophobicContact CE1-CB 4.27Å; F40-M121 HydrophobicContact CE1-CE 3.74Å; F40-M121 HydrophobicContact CE2-CE 4.21Å; F40-M121 HydrophobicContact CZ-CE 3.24Å; V94-M121 HydrophobicContact CG1-CB 4.21Å; V94-M121 HydrophobicContact CG1-SD 4.28Å; M113-M121 HydrophobicContact CE-CE 3.61Å; M113-M121 HydrophobicContact SD-CE 3.77Å; V117-M121 HydrophobicContact CG1-CE 4.07Å; V117-M121 WeakPolarHBondContact O-CG 3.46Å; V117-M121 PolarHBondContact O-N 3.01Å; A118-M121 PolarHBondContact O-N 3.26Å; M121-V124 PolarHBondContact O-N 3.19Å; M121-T125 PolarHBondContact O-N 3.42Å; M121-T125 PolarHBondContact O-OG1 3.22Å
122I96.3Very high92.5Very high21 Ų2161 Ų6111%0.10832%0.322CS..Hα-helixtrans-60.9-49.4174-70.8166.5000110.3I39 F40 A118 V120 V124 T125 W126I39-I122 HydrophobicContact CG2-CD1 3.59Å; F40-I122 HydrophobicContact CD1-CD1 3.92Å; F40-I122 HydrophobicContact CD1-CG1 3.77Å; F40-I122 HydrophobicContact CE1-CD1 4.2Å; F40-I122 HydrophobicContact CE1-CG1 4.02Å; A118-I122 WeakPolarHBondContact O-CB 3.43Å; A118-I122 VanDerWaalsContact O-CG1 3.31Å; A118-I122 WeakPolarHBondContact O-CG1 3.4Å; A118-I122 PolarHBondContact O-N 2.94Å; V120-I122 VanDerWaalsContact C-N 3.32Å; V120-I122 PolarHBondContact O-N 3.08Å; I122-V124 VanDerWaalsContact C-N 3.3Å; I122-V124 PolarHBondContact O-N 3.43Å; I122-T125 WeakPolarHBondContact O-CA 3.16Å; I122-T125 WeakPolarHBondContact O-CB 3.41Å; I122-T125 PolarHBondContact O-N 3.1Å; I122-W126 VanDerWaalsContact CG2-CD1 3.45Å; I122-W126 PolarHBondContact O-N 3.01Å
123G96.4Very high92.6Very high32 Ų3258.8 Ų58.833%0.3331%0.307SS..Hα-helixtrans-55.9-43.5178.300000112.6F119 V120 W126 T127F119-G123 PolarHBondContact O-N 2.96Å; V120-G123 PolarHBondContact O-N 3.36Å; G123-W126 PolarHBondContact O-N 2.72Å; G123-T127 VanDerWaalsContact O-CB 3.29Å; G123-T127 WeakPolarHBondContact O-CB 3.27Å; G123-T127 PolarHBondContact O-N 3.35Å; G123-T127 PolarHBondContact O-OG1 3.5Å
124V95Very high92.4Very high83 Ų8361 Ų6150%0.50332%0.316SS..Hα-helixtrans-61.9-47.5173.9172.10000110.8V120 M121 I122 W126 T127 V128V120-V124 HydrophobicContact CG1-CG2 4.5Å; V120-V124 WeakPolarHBondContact O-CG2 3.5Å; V120-V124 PolarHBondContact O-N 3.28Å; M121-V124 PolarHBondContact O-N 3.19Å; I122-V124 VanDerWaalsContact C-N 3.3Å; I122-V124 PolarHBondContact O-N 3.43Å; V124-W126 PolarHBondContact O-N 3.16Å; V124-T127 PolarHBondContact O-N 3.11Å; V124-V128 HydrophobicContact CG1-CG2 4.14Å; V124-V128 WeakPolarHBondContact O-CB 3.46Å; V124-V128 VanDerWaalsContact O-CG2 3.25Å; V124-V128 WeakPolarHBondContact O-CG2 3.38Å; V124-V128 PolarHBondContact O-N 2.99Å
125T94.4Very high92.1Very high7 Ų760.6 Ų60.64%0.04332%0.316CS..Hα-helixtrans-53.5-53176.7-70.60000112L90 M121 I122 V128 S129L90-T125 HydrophobicContact CB-CG2 3.5Å; L90-T125 VanDerWaalsContact CB-CG2 3.5Å; L90-T125 HydrophobicContact CD1-CG2 4.45Å; M121-T125 PolarHBondContact O-N 3.42Å; M121-T125 PolarHBondContact O-OG1 3.22Å; I122-T125 WeakPolarHBondContact O-CA 3.16Å; I122-T125 WeakPolarHBondContact O-CB 3.41Å; I122-T125 PolarHBondContact O-N 3.1Å; T125-V128 PolarHBondContact O-N 2.91Å; T125-S129 PolarHBondContact O-N 3.38Å; T125-S129 PolarHBondContact O-OG 2.7Å; T125-S129 VanDerWaalsContact O-OG 3.04Å
126W96.6Very high91.5Very high55 Ų5555.7 Ų55.721%0.20830%0.297CS..Hα-helixtrans-66.4-40.2-179.3-74.295.1000112.4S43 L46 L50 A87 I122 G123 V124 S129 V130S43-W126 PolarHBondContact OG-NE1 3.48Å; L46-W126 HydrophobicContact CB-CZ2 4.31Å; L50-W126 HydrophobicContact CD1-CH2 3.58Å; L50-W126 HydrophobicContact CD1-CZ3 3.54Å; A87-W126 HydrophobicContact CB-CE3 4.29Å; A87-W126 HydrophobicContact CB-CZ3 4.24Å; I122-W126 VanDerWaalsContact CG2-CD1 3.45Å; I122-W126 PolarHBondContact O-N 3.01Å; G123-W126 PolarHBondContact O-N 2.72Å; V124-W126 PolarHBondContact O-N 3.16Å; W126-S129 PolarHBondContact O-N 2.96Å; W126-V130 WeakPolarHBondContact O-CG2 3.3Å; W126-V130 PolarHBondContact O-N 2.97Å
127T94.9Very high90.6Very high87 Ų8746 Ų4653%0.53426%0.261SS..Hα-helixtrans-61.8-47.7178.2-56.60000110.8G123 V124 S129 V130 V131G123-T127 VanDerWaalsContact O-CB 3.29Å; G123-T127 WeakPolarHBondContact O-CB 3.27Å; G123-T127 PolarHBondContact O-N 3.35Å; G123-T127 PolarHBondContact O-OG1 3.5Å; V124-T127 PolarHBondContact O-N 3.11Å; T127-S129 VanDerWaalsContact C-N 3.34Å; T127-S129 PolarHBondContact O-N 3.16Å; T127-V130 PolarHBondContact O-N 3.44Å; T127-V131 HydrophobicContact CG2-CG2 4.41Å; T127-V131 WeakPolarHBondContact O-CB 3.42Å; T127-V131 VanDerWaalsContact O-CG2 3.27Å; T127-V131 WeakPolarHBondContact O-CG2 3.4Å; T127-V131 PolarHBondContact O-N 3.38Å
128V91.6Very high89.7Confident56 Ų5649.9 Ų49.934%0.33928%0.275SS..Hα-helixtrans-61-44.2177.91700000110.7L90 V124 T125 V131 I132L90-V128 HydrophobicContact CD1-CB 4.18Å; L90-V128 HydrophobicContact CD1-CG1 3.79Å; V124-V128 HydrophobicContact CG1-CG2 4.14Å; V124-V128 WeakPolarHBondContact O-CB 3.46Å; V124-V128 VanDerWaalsContact O-CG2 3.25Å; V124-V128 WeakPolarHBondContact O-CG2 3.38Å; V124-V128 PolarHBondContact O-N 2.99Å; T125-V128 PolarHBondContact O-N 2.91Å; V128-V131 PolarHBondContact O-N 2.96Å; V128-I132 HydrophobicContact CG1-CD1 3.43Å; V128-I132 VanDerWaalsContact CG1-CD1 3.43Å; V128-I132 HydrophobicContact CG1-CG1 4.37Å; V128-I132 WeakPolarHBondContact O-CB 3.42Å; V128-I132 WeakPolarHBondContact O-CD1 3.44Å; V128-I132 VanDerWaalsContact O-CG1 3.29Å; V128-I132 WeakPolarHBondContact O-CG1 3.44Å; V128-I132 PolarHBondContact O-N 2.84Å
129S93.5Very high88.6Confident0 Ų055.5 Ų55.50%031%0.305CS..Hα-helixtrans-59.5-48.8175.7-61.70000112.7T86 A87 T125 W126 T127 V131 I132 S133T86-S129 VanDerWaalsContact C-OG 3.31Å; A87-S129 WeakPolarHBondContact CA-OG 3.33Å; A87-S129 PolarHBondContact N-OG 2.7Å; T125-S129 PolarHBondContact O-N 3.38Å; T125-S129 PolarHBondContact O-OG 2.7Å; T125-S129 VanDerWaalsContact O-OG 3.04Å; W126-S129 PolarHBondContact O-N 2.96Å; T127-S129 VanDerWaalsContact C-N 3.34Å; T127-S129 PolarHBondContact O-N 3.16Å; S129-V131 VanDerWaalsContact C-N 3.34Å; S129-V131 PolarHBondContact O-N 3.27Å; S129-I132 PolarHBondContact O-N 2.99Å; S129-S133 WeakPolarHBondContact O-CB 3.43Å; S129-S133 PolarHBondContact O-N 2.89Å; S129-S133 VanDerWaalsContact O-N 3.11Å; S129-S133 PolarHBondContact O-OG 3.46Å
130V92.7Very high87.3Confident62 Ų6252.2 Ų52.238%0.37629%0.293SS..Hα-helixtrans-61-45.3179.5170.50000110.8M83 W126 T127 S133 F134M83-V130 HydrophobicContact CG-CG2 4.22Å; M83-V130 HydrophobicContact SD-CG2 3.72Å; W126-V130 WeakPolarHBondContact O-CG2 3.3Å; W126-V130 PolarHBondContact O-N 2.97Å; T127-V130 PolarHBondContact O-N 3.44Å; V130-S133 PolarHBondContact O-N 3.19Å; V130-F134 HydrophobicContact CG1-CD2 4.22Å; V130-F134 WeakPolarHBondContact O-CB 3.2Å; V130-F134 PolarHBondContact O-N 3.4Å
131V89.9Confident85.9Confident78 Ų7856.6 Ų56.647%0.47330%0.3SS..Hα-helixtrans-63.7-48.3-178.3169.60000111.3T127 V128 S129 S133 V135T127-V131 HydrophobicContact CG2-CG2 4.41Å; T127-V131 WeakPolarHBondContact O-CB 3.42Å; T127-V131 VanDerWaalsContact O-CG2 3.27Å; T127-V131 WeakPolarHBondContact O-CG2 3.4Å; T127-V131 PolarHBondContact O-N 3.38Å; V128-V131 PolarHBondContact O-N 2.96Å; S129-V131 VanDerWaalsContact C-N 3.34Å; S129-V131 PolarHBondContact O-N 3.27Å; V131-S133 PolarHBondContact O-N 3.27Å; V131-V135 HydrophobicContact CG1-CG2 4.19Å; V131-V135 WeakPolarHBondContact O-CB 3.23Å; V131-V135 VanDerWaalsContact O-CG2 3.32Å; V131-V135 WeakPolarHBondContact O-CG2 3.48Å; V131-V135 PolarHBondContact O-N 3.5Å
132I84.3Confident84.3Confident27 Ų2755.3 Ų55.314%0.13829%0.294CS..Hα-helixtrans-65.7-28.8-178.6-67.6165000111.8V128 S129 P136 I179V128-I132 HydrophobicContact CG1-CD1 3.43Å; V128-I132 VanDerWaalsContact CG1-CD1 3.43Å; V128-I132 HydrophobicContact CG1-CG1 4.37Å; V128-I132 WeakPolarHBondContact O-CB 3.42Å; V128-I132 WeakPolarHBondContact O-CD1 3.44Å; V128-I132 VanDerWaalsContact O-CG1 3.29Å; V128-I132 WeakPolarHBondContact O-CG1 3.44Å; V128-I132 PolarHBondContact O-N 2.84Å; S129-I132 PolarHBondContact O-N 2.99Å; I132-P136 WeakPolarHBondContact O-CD 3.21Å; I132-P136 VanDerWaalsContact O-CG 3.27Å; I132-P136 WeakPolarHBondContact O-CG 3.33Å; I132-I179 HydrophobicContact CD1-CB 4.4Å; I132-I179 HydrophobicContact CD1-CG2 3.37Å; I132-I179 HydrophobicContact CG1-CG2 4.34Å
133S86.4Confident82.5Confident0 Ų061 Ų610%031%0.314CS..Hα-helixtrans-90.8-55.3-177-55.70000113.2A79 I82 M83 S129 V130 V131 V137A79-S133 WeakPolarHBondContact O-CB 3.46Å; I82-S133 VanDerWaalsContact C-OG 3.24Å; I82-S133 VanDerWaalsContact CG2-OG 3.22Å; I82-S133 WeakPolarHBondContact CG2-OG 3.43Å; M83-S133 WeakPolarHBondContact CA-OG 3.37Å; M83-S133 PolarHBondContact N-OG 3.06Å; S129-S133 WeakPolarHBondContact O-CB 3.43Å; S129-S133 PolarHBondContact O-N 2.89Å; S129-S133 VanDerWaalsContact O-N 3.11Å; S129-S133 PolarHBondContact O-OG 3.46Å; V130-S133 PolarHBondContact O-N 3.19Å; V131-S133 PolarHBondContact O-N 3.27Å; S133-V137 WeakPolarHBondContact O-CG2 3.22Å
134F86Confident80.5Confident60 Ų6061.8 Ų61.826%0.26332%0.317SS..Hα-helixtrans-77-36.4-172.8-80.7-96.9000112.8A79 M83 V130 V137 Q138A79-F134 HydrophobicContact CB-CD1 4.09Å; A79-F134 HydrophobicContact CB-CD2 4.35Å; A79-F134 HydrophobicContact CB-CE1 4.01Å; A79-F134 HydrophobicContact CB-CE2 4.25Å; A79-F134 HydrophobicContact CB-CG 4.26Å; A79-F134 HydrophobicContact CB-CZ 4.09Å; M83-F134 HydrophobicContact CB-CE2 4.24Å; M83-F134 HydrophobicContact CG-CE2 4.43Å; M83-F134 HydrophobicContact SD-CD2 4.4Å; M83-F134 HydrophobicContact SD-CE2 3.7Å; V130-F134 HydrophobicContact CG1-CD2 4.22Å; V130-F134 WeakPolarHBondContact O-CB 3.2Å; V130-F134 PolarHBondContact O-N 3.4Å; F134-V137 PolarHBondContact O-N 3.12Å; F134-Q138 VanDerWaalsContact O-CB 3.27Å; F134-Q138 WeakPolarHBondContact O-CB 3.17Å; F134-Q138 WeakPolarHBondContact O-CG 3.45Å; F134-Q138 PolarHBondContact O-N 3.13Å
135V84.4Confident78.5Confident69 Ų6966.5 Ų66.542%0.41833%0.334SS..Hα-helixtrans-62.2-50.2-176.6176.90000111.7V131 V137 L139V131-V135 HydrophobicContact CG1-CG2 4.19Å; V131-V135 WeakPolarHBondContact O-CB 3.23Å; V131-V135 VanDerWaalsContact O-CG2 3.32Å; V131-V135 WeakPolarHBondContact O-CG2 3.48Å; V131-V135 PolarHBondContact O-N 3.5Å; V135-V137 VanDerWaalsContact C-N 3.31Å; V135-V137 PolarHBondContact O-N 2.86Å; V135-L139 HydrophobicContact CG1-CD1 3.62Å; V135-L139 HydrophobicContact CG1-CG 4.44Å; V135-L139 WeakPolarHBondContact O-CB 3.44Å; V135-L139 VanDerWaalsContact O-CG 3.26Å; V135-L139 WeakPolarHBondContact O-CG 3.27Å; V135-L139 PolarHBondContact O-N 3.03Å; V135-L139 VanDerWaalsContact O-N 3.08Å
136P76.7Confident76.3Confident20 Ų2071.3 Ų71.313%0.1336%0.358CS..Hα-helixtrans-71-25.5-179.3-22.338000114I132 D140 W141 H142 Y172I132-P136 WeakPolarHBondContact O-CD 3.21Å; I132-P136 VanDerWaalsContact O-CG 3.27Å; I132-P136 WeakPolarHBondContact O-CG 3.33Å; P136-D140 PolarHBondContact O-N 3.31Å; P136-W141 PolarHBondContact O-N 2.7Å; P136-H142 PolarHBondContact O-N 2.96Å; P136-Y172 HydrophobicContact CB-CD2 3.83Å; P136-Y172 HydrophobicContact CB-CE2 3.21Å; P136-Y172 HydrophobicContact CG-CD2 4.46Å; P136-Y172 HydrophobicContact CG-CE2 3.7Å
137V73.4Confident73.5Confident1 Ų172.7 Ų72.71%0.00638%0.376CS..Hα-helixtrans-78.4-44.5178.3175.80000111K75 A79 S133 F134 V135 D140K75-V137 HydrophobicContact CB-CG1 4.19Å; K75-V137 WeakPolarHBondContact O-CG1 3.33Å; A79-V137 HydrophobicContact CB-CB 4.14Å; A79-V137 HydrophobicContact CB-CG1 4.08Å; A79-V137 HydrophobicContact CB-CG2 4.15Å; S133-V137 WeakPolarHBondContact O-CG2 3.22Å; F134-V137 PolarHBondContact O-N 3.12Å; V135-V137 VanDerWaalsContact C-N 3.31Å; V135-V137 PolarHBondContact O-N 2.86Å; V137-D140 PolarHBondContact O-N 3.31Å
138Q73.6Confident70.8Confident130 Ų13072.9 Ų72.961%0.60737%0.374SS*.Hα-helixtrans-71.5-29.9179.9-66.4-71.295.500112.7F134 D140F134-Q138 VanDerWaalsContact O-CB 3.27Å; F134-Q138 WeakPolarHBondContact O-CB 3.17Å; F134-Q138 WeakPolarHBondContact O-CG 3.45Å; F134-Q138 PolarHBondContact O-N 3.13Å; Q138-D140 VanDerWaalsContact C-N 3.26Å
139L71.1Confident68.5Low119 Ų11976.7 Ų76.762%0.62340%0.4SS*.THydrogen-bonded Turntrans-866.1174.3-63.3175.8000113.2V135 W141V135-L139 HydrophobicContact CG1-CD1 3.62Å; V135-L139 HydrophobicContact CG1-CG 4.44Å; V135-L139 WeakPolarHBondContact O-CB 3.44Å; V135-L139 VanDerWaalsContact O-CG 3.26Å; V135-L139 WeakPolarHBondContact O-CG 3.27Å; V135-L139 PolarHBondContact O-N 3.03Å; V135-L139 VanDerWaalsContact O-N 3.08Å; L139-W141 PolarHBondContact O-N 3.45Å
140D67.3Low66.4Low59 Ų5980 Ų8032%0.31643%0.433SS..THydrogen-bonded Turntrans54.914.1-177.5-78.5-42.5000115.4K75 P136 V137 Q138 H142 R143K75-D140 IonicContact NZ-OD1 3.59Å; K75-D140 PolarHBondContact NZ-OD1 3.11Å; K75-D140 IonicContact NZ-OD2 3.4Å; K75-D140 PolarHBondContact NZ-OD2 3.47Å; P136-D140 PolarHBondContact O-N 3.31Å; V137-D140 PolarHBondContact O-N 3.31Å; Q138-D140 VanDerWaalsContact C-N 3.26Å; D140-H142 PolarHBondContact O-N 2.94Å; D140-H142 VanDerWaalsContact O-N 3.13Å; D140-H142 IonicContact OD1-CE1 3.98Å; D140-H142 PolarHBondContact OD1-CE1 3.07Å; D140-R143 WeakPolarHBondContact O-CB 3.16Å; D140-R143 PolarHBondContact O-N 3.05Å; D140-R143 IonicContact OD1-NE 2.71Å
141W64.4Low64.2Low178 Ų17880.2 Ų80.267%0.67445%0.449SS*.THydrogen-bonded Turntrans-65.7-17.6179.5-160.4-4.4000113.1P136 L139 R143 S169P136-W141 PolarHBondContact O-N 2.7Å; L139-W141 PolarHBondContact O-N 3.45Å; W141-R143 PolarHBondContact O-N 3.05Å; W141-S169 PolarHBondContact O-OG 3.44Å
142H61.8Low61.8Low17 Ų1786.2 Ų86.28%0.07946%0.463CS..THydrogen-bonded Turntrans-67.8-18.5171.272.4-77.2000113.4P136 D140 L168 S169 Y172P136-H142 PolarHBondContact O-N 2.96Å; D140-H142 PolarHBondContact O-N 2.94Å; D140-H142 VanDerWaalsContact O-N 3.13Å; D140-H142 IonicContact OD1-CE1 3.98Å; D140-H142 PolarHBondContact OD1-CE1 3.07Å; H142-L168 CarbonylContact O-C 3.59Å; H142-L168 VanDerWaalsContact O-CA 3.27Å; H142-L168 WeakPolarHBondContact O-CA 3.33Å; H142-S169 PolarHBondContact O-N 3.34Å; H142-Y172 HydrophobicContact CB-CD1 3.48Å; H142-Y172 VanDerWaalsContact CB-CD1 3.48Å; H142-Y172 HydrophobicContact CB-CE1 3.52Å; H142-Y172 HydrophobicContact CB-CG 4.08Å
143R58.5Low60Low142 Ų14290.7 Ų90.754%0.53649%0.491SS..BIsolated β-bridgetrans-77.9133.1-179.3-71.9-176.3170.4178-6.3111.5D140 W141 E145D140-R143 WeakPolarHBondContact O-CB 3.16Å; D140-R143 PolarHBondContact O-N 3.05Å; D140-R143 IonicContact OD1-NE 2.71Å; W141-R143 PolarHBondContact O-N 3.05Å; R143-E145 PolarHBondContact O-N 2.9Å
144A55Low58Low48 Ų4895.9 Ų95.940%0.39752%0.518SS..  trans-71.3119.7168.900000109.8I146A144-I146 PolarHBondContact O-N 3.15Å; A144-I146 VanDerWaalsContact O-N 3.14Å
145E51.7Low55.8Low182 Ų18298.2 Ų98.285%0.8554%0.539SS*.  trans-66.7109.2164.3-73.1-177.7170.900108.3R143 S147R143-E145 PolarHBondContact O-N 2.9Å; E145-S147 PolarHBondContact O-N 3.15Å
146I47.8Very low53.8Low108 Ų108103.9 Ų103.955%0.55455%0.553SS**  trans-88.596.1171.8-56.9174.1000106.5A144A144-I146 PolarHBondContact O-N 3.15Å; A144-I146 VanDerWaalsContact O-N 3.14Å
147S39.2Very low51.9Low84 Ų84110.7 Ų110.759%0.58759%0.587SS**BIsolated β-bridgetrans-81.1118.7168.6-58.70000109.1E145E145-S147 PolarHBondContact O-N 3.15Å
148D38.3Very low50.2Low91 Ų91119.3 Ų119.349%0.48763%0.627SS.*  trans-65.8156.2171.4-135.98.6000110.1G150 G151D148-G150 PolarHBondContact O-N 3.4Å; D148-G151 PolarHBondContact O-N 3.21Å
149P43.5Very low48.4Very low136 Ų136117.9 Ų117.988%0.88363%0.632SS**THydrogen-bonded Turntrans-60.9-7.8-179-19.130.3000114.9
150G48.5Very low46.8Very low68 Ų68118.7 Ų118.770%0.70164%0.642SS**THydrogen-bonded Turntrans-101.910177.100000115.5D148 R152D148-G150 PolarHBondContact O-N 3.4Å; G150-R152 PolarHBondContact O-N 3.1Å; G150-R152 VanDerWaalsContact O-N 3.17Å
151G46.3Very low45.7Very low68 Ų68125.2 Ų125.270%0.70167%0.67SS**SBendtrans68.813.617400000115.6D148D148-G151 PolarHBondContact O-N 3.21Å
152R40.1Very low45Very low203 Ų203118.2 Ų118.277%0.76665%0.654SS**  trans-91.8117.6169.9-72.6-175.3179.9178.20.4109.3G150 I154G150-R152 PolarHBondContact O-N 3.1Å; G150-R152 VanDerWaalsContact O-N 3.17Å; R152-I154 PolarHBondContact O-N 2.91Å; R152-I154 VanDerWaalsContact O-N 3.09Å
153V45.7Very low44.6Very low122 Ų122121.2 Ų121.274%0.73968%0.677SS**BIsolated β-bridgetrans-65.3104.7163.9179.70000106.4P155V153-P155 VanDerWaalsContact O-CD 3.28Å; V153-P155 WeakPolarHBondContact O-CD 3.21Å
154I44.6Very low44.9Very low108 Ų108116.1 Ų116.155%0.55466%0.662SS**  trans-88108.6167.1-61.2-170.2000105.8R152 R156R152-I154 PolarHBondContact O-N 2.91Å; R152-I154 VanDerWaalsContact O-N 3.09Å; I154-R156 PolarHBondContact O-N 3.09Å
155P40.7Very low44.9Very low109 Ų109118.5 Ų118.571%0.70867%0.669SS**  trans-61.5113.8161.710.5-1.2000105.3V153 L157V153-P155 VanDerWaalsContact O-CD 3.28Å; V153-P155 WeakPolarHBondContact O-CD 3.21Å; P155-L157 PolarHBondContact O-N 3.41Å
156R41.3Very low45Very low188 Ų188112.4 Ų112.471%0.70965%0.646SS**  trans-53111.6171.8-87.3-176.2174.2-172.8-2.1106.9I154 E158I154-R156 PolarHBondContact O-N 3.09Å; R156-E158 PolarHBondContact O-N 2.92Å
157L37Very low45.2Very low164 Ų164110.7 Ų110.786%0.85964%0.643SS**  trans-42.4129.3158.4-163.179.2000106.4P155 S159P155-L157 PolarHBondContact O-N 3.41Å; L157-S159 PolarHBondContact O-N 3.48Å; L157-S159 VanDerWaalsContact O-N 3.1Å
158E38.3Very low46.2Very low181 Ų181107.7 Ų107.785%0.84662%0.621SS**  trans-23.6111.6-175.7-72.2174.4132.800112.2R156 T160R156-E158 PolarHBondContact O-N 2.92Å; E158-T160 PolarHBondContact O-N 2.9Å
159S36.3Very low47.5Very low100 Ų100104 Ų10470%0.69960%0.602SS**  trans-47.4116.5173.7460000108.7L157 E161L157-S159 PolarHBondContact O-N 3.48Å; L157-S159 VanDerWaalsContact O-N 3.1Å; S159-E161 PolarHBondContact O-N 2.95Å
160T36.4Very low48.8Very low136 Ų136105 Ų10583%0.83459%0.588SS**  trans-42.4128.9175.5-40.70000110.4E158 G162E158-T160 PolarHBondContact O-N 2.9Å; T160-G162 PolarHBondContact O-N 3.4Å
161E43.7Very low49.8Very low196 Ų196106.5 Ų106.592%0.91658%0.584SS**THydrogen-bonded Turntrans-38.7115.9177.1-61.1173.4134.600112.4S159S159-E161 PolarHBondContact O-N 2.95Å
162G50Low51.1Low31 Ų31103.8 Ų103.832%0.3255%0.553SS.*THydrogen-bonded Turntrans173.1-51.4169.700000117F67 W68 T160F67-G162 CarbonylContact C-O 3.45Å; F67-G162 WeakPolarHBondContact CA-O 3.29Å; F67-G162 WeakPolarHBondContact CB-O 3.32Å; W68-G162 PolarHBondContact N-O 3.39Å; T160-G162 PolarHBondContact O-N 3.4Å
163S54.7Low52.7Low81 Ų8194.1 Ų94.157%0.56652%0.516SS*.  trans-128.5128.6-175.758.20000111.5D165S163-D165 PolarHBondContact O-N 3.24Å
164C64.5Low54.3Low34 Ų3491 Ų9123%0.2350%0.495CS..  trans-72.378.5164.4177.70000106.7W68 C74W68-C164 HydrophobicContact CB-CB 3.86Å; W68-C164 HydrophobicContact CD2-CB 3.58Å; W68-C164 HydrophobicContact CE3-CB 3.89Å; W68-C164 HydrophobicContact CG-CB 3.56Å; C74-C164 HydrophobicContact CB-CB 3.82Å; C74-C164 WeakPolarHBondContact CB-SG 3.42Å; C74-C164 VanDerWaalsContact SG-CA 3.53Å; C74-C164 WeakPolarHBondContact SG-CB 3.4Å; C74-C164 CovalentContact SG-SG 2.03Å; C74-C164 PolarHBondContact SG-SG 3.01Å
165D54.5Low56Low99 Ų9988.1 Ų88.153%0.52948%0.484SS..  trans-87.3121-169.4-1568.3000110.6S163 S167S163-D165 PolarHBondContact O-N 3.24Å; D165-S167 PolarHBondContact O-N 3.13Å
166S53.1Low57.7Low54 Ų5483.5 Ų83.538%0.37846%0.455SS..  trans-75.750.8-176.535.80000112.3L168S166-L168 VanDerWaalsContact O-CD1 3.23Å; S166-L168 WeakPolarHBondContact O-CD1 3.09Å; S166-L168 PolarHBondContact O-N 2.76Å
167S52.5Low59.8Low71 Ų7174.6 Ų74.650%0.49742%0.421SS..  trans-72.371.6173.957.80000111D165D165-S167 PolarHBondContact O-N 3.13Å
168L60.5Low62.1Low22 Ų2270.7 Ų70.712%0.11540%0.4CS..BIsolated β-bridgetrans-74.4140.1178-83.369.1000110.3H142 S166 Y172 A173H142-L168 CarbonylContact O-C 3.59Å; H142-L168 VanDerWaalsContact O-CA 3.27Å; H142-L168 WeakPolarHBondContact O-CA 3.33Å; S166-L168 VanDerWaalsContact O-CD1 3.23Å; S166-L168 WeakPolarHBondContact O-CD1 3.09Å; S166-L168 PolarHBondContact O-N 2.76Å; L168-Y172 HydrophobicContact CB-CD1 4.14Å; L168-Y172 HydrophobicContact CD2-CD1 3.48Å; L168-Y172 VanDerWaalsContact CD2-CD1 3.48Å; L168-Y172 HydrophobicContact CD2-CE1 3.51Å; L168-Y172 HydrophobicContact CG-CD1 3.66Å; L168-Y172 HydrophobicContact CG-CE1 3.92Å; L168-A173 HydrophobicContact CB-CB 4.08Å; L168-A173 HydrophobicContact CD2-CB 4.42Å
169S66.1Low64.1Low13 Ų1366 Ų669%0.09138%0.38CS..  trans-58.3141.2170.276.60000109.9W141 H142 T171 Y172 A173W141-S169 PolarHBondContact O-OG 3.44Å; H142-S169 PolarHBondContact O-N 3.34Å; S169-T171 PolarHBondContact O-N 3.03Å; S169-Y172 PolarHBondContact O-N 3.28Å; S169-Y172 WeakPolarHBondContact OG-CB 3.28Å; S169-Y172 PolarHBondContact OG-N 3.37Å; S169-Y172 VanDerWaalsContact OG-N 3.13Å; S169-A173 PolarHBondContact O-N 2.96Å
170R69.5Low66.3Low156 Ų15661.4 Ų61.459%0.58935%0.348SS*.Hα-helixtrans-48.9-46178.2-81.1180-76.7161.8-2.9111.4I174 P267R170-I174 WeakPolarHBondContact O-CD1 3.28Å; R170-I174 VanDerWaalsContact O-CG1 3.23Å; R170-I174 WeakPolarHBondContact O-CG1 3.22Å; R170-I174 PolarHBondContact O-N 3.49Å; R170-I174 VanDerWaalsContact O-N 3.15Å; R170-P267 HydrophobicContact CB-CB 4.29Å; R170-P267 WeakPolarHBondContact CD-O 3.34Å; R170-P267 HydrophobicContact CG-CB 3.43Å; R170-P267 VanDerWaalsContact CG-CB 3.43Å
171T70.5Confident68.6Low100 Ų10055 Ų5561%0.61331%0.309SS*.Hα-helixtrans-64.3-43.2179.6-480000111.8S169 S175S169-T171 PolarHBondContact O-N 3.03Å; T171-S175 VanDerWaalsContact O-CB 3.23Å; T171-S175 WeakPolarHBondContact O-CB 3.41Å; T171-S175 PolarHBondContact O-N 2.88Å; T171-S175 PolarHBondContact O-OG 2.9Å
172Y72.8Confident70.7Confident12 Ų1248.7 Ų48.75%0.04728%0.277CS..Hα-helixtrans-69.6-45.4179179.8-111.8000112.4I82 P136 H142 L168 S169 I174 S175 S176I82-Y172 HydrophobicContact CD1-CE1 4.46Å; I82-Y172 VanDerWaalsContact CD1-OH 3.31Å; I82-Y172 WeakPolarHBondContact CD1-OH 3.46Å; P136-Y172 HydrophobicContact CB-CD2 3.83Å; P136-Y172 HydrophobicContact CB-CE2 3.21Å; P136-Y172 HydrophobicContact CG-CD2 4.46Å; P136-Y172 HydrophobicContact CG-CE2 3.7Å; H142-Y172 HydrophobicContact CB-CD1 3.48Å; H142-Y172 VanDerWaalsContact CB-CD1 3.48Å; H142-Y172 HydrophobicContact CB-CE1 3.52Å; H142-Y172 HydrophobicContact CB-CG 4.08Å; L168-Y172 HydrophobicContact CB-CD1 4.14Å; L168-Y172 HydrophobicContact CD2-CD1 3.48Å; L168-Y172 VanDerWaalsContact CD2-CD1 3.48Å; L168-Y172 HydrophobicContact CD2-CE1 3.51Å; L168-Y172 HydrophobicContact CG-CD1 3.66Å; L168-Y172 HydrophobicContact CG-CE1 3.92Å; S169-Y172 PolarHBondContact O-N 3.28Å; S169-Y172 WeakPolarHBondContact OG-CB 3.28Å; S169-Y172 PolarHBondContact OG-N 3.37Å; S169-Y172 VanDerWaalsContact OG-N 3.13Å; Y172-I174 VanDerWaalsContact C-N 3.32Å; Y172-I174 PolarHBondContact O-N 3.3Å; Y172-S175 PolarHBondContact O-N 3.11Å; Y172-S175 PolarHBondContact O-OG 3.15Å; Y172-S176 WeakPolarHBondContact O-CB 3.47Å; Y172-S176 PolarHBondContact O-N 2.92Å
173A74.1Confident72.6Confident0 Ų051.5 Ų51.50%028%0.284CS..Hα-helixtrans-57.3-45178.400000111.7L168 S169 S177 P267L168-A173 HydrophobicContact CB-CB 4.08Å; L168-A173 HydrophobicContact CD2-CB 4.42Å; S169-A173 PolarHBondContact O-N 2.96Å; A173-S177 WeakPolarHBondContact O-CB 3.47Å; A173-S177 PolarHBondContact O-N 2.86Å; A173-S177 VanDerWaalsContact O-N 3.15Å; A173-S177 PolarHBondContact O-OG 3.5Å; A173-P267 HydrophobicContact CB-CG 3.78Å
174I79.5Confident74.1Confident56 Ų5647.9 Ų47.929%0.28726%0.258SS..Hα-helixtrans-71-52.9179.2-62.4165.6000111R170 Y172 S176 S177 L178 F268R170-I174 WeakPolarHBondContact O-CD1 3.28Å; R170-I174 VanDerWaalsContact O-CG1 3.23Å; R170-I174 WeakPolarHBondContact O-CG1 3.22Å; R170-I174 PolarHBondContact O-N 3.49Å; R170-I174 VanDerWaalsContact O-N 3.15Å; Y172-I174 VanDerWaalsContact C-N 3.32Å; Y172-I174 PolarHBondContact O-N 3.3Å; I174-S176 PolarHBondContact O-N 2.81Å; I174-S177 PolarHBondContact O-N 3.33Å; I174-L178 HydrophobicContact CG2-CD1 3.92Å; I174-L178 HydrophobicContact CG2-CG 4.4Å; I174-L178 WeakPolarHBondContact O-CB 3.3Å; I174-L178 VanDerWaalsContact O-CG 3.31Å; I174-L178 WeakPolarHBondContact O-CG 3.23Å; I174-L178 PolarHBondContact O-N 3.04Å; I174-F268 HydrophobicContact CD1-CE2 3.87Å; I174-F268 HydrophobicContact CD1-CZ 3.66Å; I174-F268 HydrophobicContact CG1-CE2 4.47Å
175S79.3Confident75.2Confident48 Ų4846.9 Ų46.934%0.33625%0.251SS..Hα-helixtrans-63.4-43.4-176.458.50000112.4T171 Y172 L178 I179T171-S175 VanDerWaalsContact O-CB 3.23Å; T171-S175 WeakPolarHBondContact O-CB 3.41Å; T171-S175 PolarHBondContact O-N 2.88Å; T171-S175 PolarHBondContact O-OG 2.9Å; Y172-S175 PolarHBondContact O-N 3.11Å; Y172-S175 PolarHBondContact O-OG 3.15Å; S175-L178 PolarHBondContact O-N 3.13Å; S175-I179 WeakPolarHBondContact O-CG1 2.88Å; S175-I179 PolarHBondContact O-N 3.06Å; S175-I179 VanDerWaalsContact O-N 3.12Å
176S78.2Confident76.9Confident12 Ų1246.3 Ų46.38%0.08425%0.251CS..Hα-helixtrans-63.9-42.4176.6-174.70000111.6Y172 I174 L178 S180Y172-S176 WeakPolarHBondContact O-CB 3.47Å; Y172-S176 PolarHBondContact O-N 2.92Å; I174-S176 PolarHBondContact O-N 2.81Å; S176-L178 PolarHBondContact O-N 3.45Å; S176-S180 WeakPolarHBondContact O-CB 3.4Å; S176-S180 PolarHBondContact O-N 2.85Å; S176-S180 PolarHBondContact O-OG 3.06Å
177S85Confident78.5Confident1 Ų147 Ų471%0.00725%0.25CS..Hα-helixtrans-65.4-38.2176.2-59.20000112.5A173 I174 F181 Y182 N263A173-S177 WeakPolarHBondContact O-CB 3.47Å; A173-S177 PolarHBondContact O-N 2.86Å; A173-S177 VanDerWaalsContact O-N 3.15Å; A173-S177 PolarHBondContact O-OG 3.5Å; I174-S177 PolarHBondContact O-N 3.33Å; S177-F181 WeakPolarHBondContact O-CA 3.35Å; S177-F181 WeakPolarHBondContact O-CB 3.49Å; S177-F181 PolarHBondContact O-N 3.38Å; S177-Y182 WeakPolarHBondContact O-CD2 3.26Å; S177-Y182 PolarHBondContact O-N 3.43Å; S177-Y182 VanDerWaalsContact O-N 3.15Å; S177-N263 PolarHBondContact OG-ND2 3.44Å
178L85.3Confident80.1Confident81 Ų8143.9 Ų43.942%0.42423%0.227SC..Iπ-helixtrans-62-51177.5-76.5171.9000111.9I174 S175 S176 Y182 I183I174-L178 HydrophobicContact CG2-CD1 3.92Å; I174-L178 HydrophobicContact CG2-CG 4.4Å; I174-L178 WeakPolarHBondContact O-CB 3.3Å; I174-L178 VanDerWaalsContact O-CG 3.31Å; I174-L178 WeakPolarHBondContact O-CG 3.23Å; I174-L178 PolarHBondContact O-N 3.04Å; S175-L178 PolarHBondContact O-N 3.13Å; S176-L178 PolarHBondContact O-N 3.45Å; L178-Y182 HydrophobicContact CD2-CD2 4.02Å; L178-Y182 HydrophobicContact CD2-CG 4.34Å; L178-Y182 PolarHBondContact O-N 3.22Å; L178-I183 WeakPolarHBondContact O-CB 3.32Å; L178-I183 WeakPolarHBondContact O-CG1 3.49Å; L178-I183 PolarHBondContact O-N 3.48Å
179I80.6Confident81.3Confident82 Ų8247.4 Ų47.442%0.42125%0.245SC..Iπ-helixtrans-72.9-42.2-176.2-56.6168.1000110.6I132 S175 P184I132-I179 HydrophobicContact CD1-CB 4.4Å; I132-I179 HydrophobicContact CD1-CG2 3.37Å; I132-I179 HydrophobicContact CG1-CG2 4.34Å; S175-I179 WeakPolarHBondContact O-CG1 2.88Å; S175-I179 PolarHBondContact O-N 3.06Å; S175-I179 VanDerWaalsContact O-N 3.12Å; I179-P184 VanDerWaalsContact O-CD 3.27Å; I179-P184 WeakPolarHBondContact O-CD 3.17Å
180S80.7Confident82.3Confident4 Ų450.4 Ų50.43%0.02826%0.263CS..Iπ-helixtrans-82.8-23.3-173.7-53.80000113.4T86 I89 S176T86-S180 VanDerWaalsContact OG1-CB 3.28Å; T86-S180 WeakPolarHBondContact OG1-CB 3.43Å; T86-S180 PolarHBondContact OG1-OG 2.84Å; I89-S180 WeakPolarHBondContact CD1-O 3.49Å; I89-S180 WeakPolarHBondContact CG2-O 3.25Å; S176-S180 WeakPolarHBondContact O-CB 3.4Å; S176-S180 PolarHBondContact O-N 2.85Å; S176-S180 PolarHBondContact O-OG 3.06Å
181F85.8Confident82.9Confident1 Ų143.6 Ų43.60%0.00424%0.239CC..Iπ-helixtrans-127.7-61.5-176.1-178.4-104.1000114I89 S177 I183 P184 V185 F252 W256 L257 F260I89-F181 HydrophobicContact CD1-CB 4.45Å; I89-F181 HydrophobicContact CD1-CD2 3.72Å; I89-F181 HydrophobicContact CD1-CE2 4.43Å; I89-F181 HydrophobicContact CD1-CG 4.41Å; S177-F181 WeakPolarHBondContact O-CA 3.35Å; S177-F181 WeakPolarHBondContact O-CB 3.49Å; S177-F181 PolarHBondContact O-N 3.38Å; F181-I183 PolarHBondContact O-N 2.96Å; F181-P184 WeakPolarHBondContact O-CD 3.27Å; F181-V185 HydrophobicContact CD1-CG2 4.45Å; F181-V185 HydrophobicContact CD2-CG2 4.03Å; F181-V185 HydrophobicContact CE1-CG2 4.21Å; F181-V185 HydrophobicContact CE2-CG2 3.75Å; F181-V185 HydrophobicContact CG-CG2 4.37Å; F181-V185 HydrophobicContact CZ-CG2 3.86Å; F181-V185 WeakPolarHBondContact O-CB 3.05Å; F181-V185 VanDerWaalsContact O-CG2 3.26Å; F181-V185 WeakPolarHBondContact O-CG2 3.21Å; F181-V185 PolarHBondContact O-N 3.23Å; F181-F252 HydrophobicContact CD2-CE1 4.15Å; F181-F252 AromaticContact CE2-CE1 3.87Å; F181-F252 HydrophobicContact CE2-CE1 3.87Å; F181-W256 HydrophobicContact CD2-CB 4.19Å; F181-W256 HydrophobicContact CE2-CB 3.52Å; F181-W256 HydrophobicContact CZ-CB 4.25Å; F181-L257 HydrophobicContact CE1-CB 4.49Å; F181-L257 HydrophobicContact CE1-CD1 3.83Å; F181-L257 HydrophobicContact CZ-CB 4.02Å; F181-L257 HydrophobicContact CZ-CD1 4.17Å; F181-F260 HydrophobicContact CB-CD1 3.65Å; F181-F260 HydrophobicContact CB-CD2 3.67Å; F181-F260 HydrophobicContact CB-CE1 3.58Å; F181-F260 HydrophobicContact CB-CE2 3.61Å; F181-F260 HydrophobicContact CB-CG 3.7Å; F181-F260 HydrophobicContact CB-CZ 3.57Å; F181-F260 HydrophobicContact CD1-CB 3.65Å; F181-F260 HydrophobicContact CD1-CD1 4.28Å; F181-F260 AromaticContact CD1-CD2 3.66Å; F181-F260 HydrophobicContact CD1-CD2 3.66Å; F181-F260 HydrophobicContact CD1-CE2 4.4Å; F181-F260 AromaticContact CD1-CG 3.59Å; F181-F260 HydrophobicContact CD1-CG 3.59Å; F181-F260 AromaticContact CD2-CD2 3.22Å; F181-F260 HydrophobicContact CD2-CD2 3.22Å; F181-F260 AromaticContact CD2-CE2 3.3Å; F181-F260 HydrophobicContact CD2-CE2 3.3Å; F181-F260 HydrophobicContact CD2-CG 4.01Å; F181-F260 HydrophobicContact CD2-CZ 4.14Å; F181-F260 HydrophobicContact CE1-CB 3.93Å; F181-F260 HydrophobicContact CE1-CD2 4.06Å; F181-F260 HydrophobicContact CE1-CG 4.19Å; F181-F260 AromaticContact CE2-CD2 3.68Å; F181-F260 HydrophobicContact CE2-CD2 3.68Å; F181-F260 HydrophobicContact CE2-CE2 4.06Å; F181-F260 HydrophobicContact CG-CB 4.1Å; F181-F260 HydrophobicContact CG-CD1 4Å; F181-F260 AromaticContact CG-CD2 3.21Å; F181-F260 HydrophobicContact CG-CD2 3.21Å; F181-F260 HydrophobicContact CG-CE1 4.25Å; F181-F260 AromaticContact CG-CE2 3.52Å; F181-F260 HydrophobicContact CG-CE2 3.52Å; F181-F260 AromaticContact CG-CG 3.49Å; F181-F260 HydrophobicContact CG-CG 3.49Å; F181-F260 VanDerWaalsContact CG-CG 3.49Å; F181-F260 HydrophobicContact CG-CZ 4.04Å; F181-F260 HydrophobicContact CZ-CD2 4.07Å
182Y88.8Confident83.3Confident64 Ų6439.9 Ų39.925%0.25121%0.214SC..Iπ-helixtrans-66-43.5-168.2-66.8-75.5000113.3S177 L178 V185 V186 F260S177-Y182 WeakPolarHBondContact O-CD2 3.26Å; S177-Y182 PolarHBondContact O-N 3.43Å; S177-Y182 VanDerWaalsContact O-N 3.15Å; L178-Y182 HydrophobicContact CD2-CD2 4.02Å; L178-Y182 HydrophobicContact CD2-CG 4.34Å; L178-Y182 PolarHBondContact O-N 3.22Å; Y182-V185 PolarHBondContact O-N 3.13Å; Y182-V186 VanDerWaalsContact O-CG2 3.31Å; Y182-V186 WeakPolarHBondContact O-CG2 3.46Å; Y182-V186 PolarHBondContact O-N 3.36Å; Y182-F260 PolarHBondContact OH-O 3.18Å
183I88.7Confident83.6Confident91 Ų9142.3 Ų42.347%0.46723%0.23SC..Hα-helixtrans-62.3-52.5178-69.1171.2000111.1L178 F181 V185 V186 I187L178-I183 WeakPolarHBondContact O-CB 3.32Å; L178-I183 WeakPolarHBondContact O-CG1 3.49Å; L178-I183 PolarHBondContact O-N 3.48Å; F181-I183 PolarHBondContact O-N 2.96Å; I183-V185 VanDerWaalsContact C-N 3.33Å; I183-V185 PolarHBondContact O-N 3.47Å; I183-V186 PolarHBondContact O-N 3.36Å; I183-I187 HydrophobicContact CG2-CD1 3.98Å; I183-I187 WeakPolarHBondContact O-CG1 3.26Å; I183-I187 PolarHBondContact O-N 3.48Å
184P87Confident84.1Confident4 Ų449.1 Ų49.13%0.02626%0.256CS..Hα-helixtrans-54.8-44173.8-27.433000113.5I89 L90 C93 I179 F181 V186 I187 M188I89-P184 HydrophobicContact CD1-CB 3.74Å; I89-P184 HydrophobicContact CD1-CG 4.25Å; I89-P184 HydrophobicContact CG1-CB 3.82Å; L90-P184 HydrophobicContact CD2-CG 3.95Å; C93-P184 HydrophobicContact CB-CB 4.35Å; I179-P184 VanDerWaalsContact O-CD 3.27Å; I179-P184 WeakPolarHBondContact O-CD 3.17Å; F181-P184 WeakPolarHBondContact O-CD 3.27Å; P184-V186 PolarHBondContact O-N 3.3Å; P184-I187 PolarHBondContact O-N 3.3Å; P184-M188 WeakPolarHBondContact O-CB 3.36Å; P184-M188 WeakPolarHBondContact O-CG 3.34Å; P184-M188 PolarHBondContact O-N 3.1Å
185V87.3Confident83.9Confident13 Ų1346.7 Ų46.78%0.07924%0.243CC..Hα-helixtrans-61.9-42.4178.3169.30000111.6I89 F181 Y182 I183 I187 M188 I189 V253I89-V185 HydrophobicContact CD1-CG2 4.12Å; F181-V185 HydrophobicContact CD1-CG2 4.45Å; F181-V185 HydrophobicContact CD2-CG2 4.03Å; F181-V185 HydrophobicContact CE1-CG2 4.21Å; F181-V185 HydrophobicContact CE2-CG2 3.75Å; F181-V185 HydrophobicContact CG-CG2 4.37Å; F181-V185 HydrophobicContact CZ-CG2 3.86Å; F181-V185 WeakPolarHBondContact O-CB 3.05Å; F181-V185 VanDerWaalsContact O-CG2 3.26Å; F181-V185 WeakPolarHBondContact O-CG2 3.21Å; F181-V185 PolarHBondContact O-N 3.23Å; Y182-V185 PolarHBondContact O-N 3.13Å; I183-V185 VanDerWaalsContact C-N 3.33Å; I183-V185 PolarHBondContact O-N 3.47Å; V185-I187 PolarHBondContact O-N 3.26Å; V185-M188 WeakPolarHBondContact O-CB 3.27Å; V185-M188 PolarHBondContact O-N 3.38Å; V185-I189 HydrophobicContact CG1-CD1 3.65Å; V185-I189 HydrophobicContact CG1-CG1 4.26Å; V185-I189 VanDerWaalsContact O-CG1 3.28Å; V185-I189 WeakPolarHBondContact O-CG1 3.47Å; V185-I189 PolarHBondContact O-N 2.88Å; V185-V253 HydrophobicContact CG1-CG2 4.06Å; V185-V253 HydrophobicContact CG2-CG2 4.19Å
186V89.1Confident83.7Confident87 Ų8751.2 Ų51.253%0.52725%0.254SS..Hα-helixtrans-61.5-45.6176.3169.30000110.9Y182 I183 P184 M188 I189 V190Y182-V186 VanDerWaalsContact O-CG2 3.31Å; Y182-V186 WeakPolarHBondContact O-CG2 3.46Å; Y182-V186 PolarHBondContact O-N 3.36Å; I183-V186 PolarHBondContact O-N 3.36Å; P184-V186 PolarHBondContact O-N 3.3Å; V186-M188 VanDerWaalsContact C-N 3.31Å; V186-M188 PolarHBondContact O-N 2.91Å; V186-I189 PolarHBondContact O-N 3.12Å; V186-V190 HydrophobicContact CG1-CG2 4.42Å; V186-V190 WeakPolarHBondContact O-CG2 3.48Å; V186-V190 PolarHBondContact O-N 3.47Å
187I88.1Confident83.8Confident70 Ų7058.4 Ų58.436%0.35928%0.279SS..Hα-helixtrans-59.9-44.9176.7-65167.1000110.4C93 V97 I183 P184 V185 V190 T191C93-I187 VanDerWaalsContact SG-CG2 3.56Å; V97-I187 HydrophobicContact CG2-CG2 4.27Å; I183-I187 HydrophobicContact CG2-CD1 3.98Å; I183-I187 WeakPolarHBondContact O-CG1 3.26Å; I183-I187 PolarHBondContact O-N 3.48Å; P184-I187 PolarHBondContact O-N 3.3Å; V185-I187 PolarHBondContact O-N 3.26Å; I187-V190 PolarHBondContact O-N 3.23Å; I187-T191 HydrophobicContact CG2-CG2 4.26Å; I187-T191 WeakPolarHBondContact O-CB 3.46Å; I187-T191 VanDerWaalsContact O-CG2 3.31Å; I187-T191 WeakPolarHBondContact O-CG2 3.28Å; I187-T191 PolarHBondContact O-N 2.95Å; I187-T191 PolarHBondContact O-OG1 3.08Å
188M85.4Confident83.3Confident4 Ų460.6 Ų60.62%0.0229%0.29CS..Hα-helixtrans-59.7-50.3176.2-71.1175.348.100111.3L92 C93 S96 P184 V185 V186 V190 T191 Y192 M249L92-M188 HydrophobicContact CB-CE 4.38Å; L92-M188 HydrophobicContact CB-SD 4.18Å; C93-M188 HydrophobicContact CB-CG 4.24Å; C93-M188 HydrophobicContact CB-SD 4.43Å; S96-M188 WeakPolarHBondContact OG-CG 3.36Å; P184-M188 WeakPolarHBondContact O-CB 3.36Å; P184-M188 WeakPolarHBondContact O-CG 3.34Å; P184-M188 PolarHBondContact O-N 3.1Å; V185-M188 WeakPolarHBondContact O-CB 3.27Å; V185-M188 PolarHBondContact O-N 3.38Å; V186-M188 VanDerWaalsContact C-N 3.31Å; V186-M188 PolarHBondContact O-N 2.91Å; M188-V190 VanDerWaalsContact C-N 3.34Å; M188-V190 PolarHBondContact O-N 3.45Å; M188-T191 WeakPolarHBondContact CA-OG1 3.37Å; M188-T191 PolarHBondContact O-N 2.94Å; M188-T191 PolarHBondContact O-OG1 2.88Å; M188-Y192 WeakPolarHBondContact O-CB 3.29Å; M188-Y192 VanDerWaalsContact O-CD2 3.26Å; M188-Y192 WeakPolarHBondContact O-CD2 3.35Å; M188-Y192 PolarHBondContact O-N 3.26Å; M188-M249 HydrophobicContact CE-CB 3.74Å; M188-M249 HydrophobicContact CE-CE 3.53Å; M188-M249 HydrophobicContact CE-CG 3.53Å; M188-M249 HydrophobicContact CE-SD 3.25Å; M188-M249 WeakPolarHBondContact CE-SD 3.43Å; M188-M249 HydrophobicContact SD-CE 4.33Å
189I85.9Confident82.5Confident96 Ų9657 Ų5749%0.49227%0.272SS..Hα-helixtrans-59.3-45179.4-69.5168000111.1V185 V186 T193V185-I189 HydrophobicContact CG1-CD1 3.65Å; V185-I189 HydrophobicContact CG1-CG1 4.26Å; V185-I189 VanDerWaalsContact O-CG1 3.28Å; V185-I189 WeakPolarHBondContact O-CG1 3.47Å; V185-I189 PolarHBondContact O-N 2.88Å; V186-I189 PolarHBondContact O-N 3.12Å; I189-T193 VanDerWaalsContact O-CB 3.29Å; I189-T193 WeakPolarHBondContact O-CB 3.47Å; I189-T193 PolarHBondContact O-N 3.05Å; I189-T193 PolarHBondContact O-OG1 2.92Å
190V86.5Confident82.1Confident76 Ų7656.2 Ų56.246%0.46127%0.267SS..Hα-helixtrans-64.4-51.5-179.8171.10000111V186 I187 M188 Y192 T193 R194V186-V190 HydrophobicContact CG1-CG2 4.42Å; V186-V190 WeakPolarHBondContact O-CG2 3.48Å; V186-V190 PolarHBondContact O-N 3.47Å; I187-V190 PolarHBondContact O-N 3.23Å; M188-V190 VanDerWaalsContact C-N 3.34Å; M188-V190 PolarHBondContact O-N 3.45Å; V190-Y192 VanDerWaalsContact C-N 3.35Å; V190-Y192 PolarHBondContact O-N 3.36Å; V190-T193 PolarHBondContact O-N 3.45Å; V190-R194 VanDerWaalsContact O-CG 3.27Å; V190-R194 WeakPolarHBondContact O-CG 3.37Å; V190-R194 PolarHBondContact O-N 3.22Å
191T83.3Confident81.8Confident14 Ų1459.2 Ų59.29%0.08629%0.285CS..Hα-helixtrans-60-45-179.851.30000111V97 I187 M188 T193 R194 I195V97-T191 HydrophobicContact CG2-CG2 4.3Å; I187-T191 HydrophobicContact CG2-CG2 4.26Å; I187-T191 WeakPolarHBondContact O-CB 3.46Å; I187-T191 VanDerWaalsContact O-CG2 3.31Å; I187-T191 WeakPolarHBondContact O-CG2 3.28Å; I187-T191 PolarHBondContact O-N 2.95Å; I187-T191 PolarHBondContact O-OG1 3.08Å; M188-T191 WeakPolarHBondContact CA-OG1 3.37Å; M188-T191 PolarHBondContact O-N 2.94Å; M188-T191 PolarHBondContact O-OG1 2.88Å; T191-T193 PolarHBondContact O-N 3.36Å; T191-R194 WeakPolarHBondContact O-CB 3.32Å; T191-R194 PolarHBondContact O-N 3.37Å; T191-I195 VanDerWaalsContact O-CG1 3.25Å; T191-I195 WeakPolarHBondContact O-CG1 3.45Å; T191-I195 PolarHBondContact O-N 2.97Å
192Y77.8Confident81Confident21 Ų2162.4 Ų62.48%0.08230%0.3CS..Hα-helixtrans-67.5-36.7177.5-87.9-93.6000113.9S96 M188 V190 R194 I195 Y196 L245 M249S96-Y192 WeakPolarHBondContact OG-CE2 3.18Å; M188-Y192 WeakPolarHBondContact O-CB 3.29Å; M188-Y192 VanDerWaalsContact O-CD2 3.26Å; M188-Y192 WeakPolarHBondContact O-CD2 3.35Å; M188-Y192 PolarHBondContact O-N 3.26Å; V190-Y192 VanDerWaalsContact C-N 3.35Å; V190-Y192 PolarHBondContact O-N 3.36Å; Y192-R194 VanDerWaalsContact C-N 3.28Å; Y192-R194 PolarHBondContact O-N 3.29Å; Y192-I195 PolarHBondContact O-N 3.28Å; Y192-Y196 WeakPolarHBondContact O-CB 3.48Å; Y192-Y196 PolarHBondContact O-N 3.5Å; Y192-L245 HydrophobicContact CE1-CB 3.88Å; Y192-L245 WeakPolarHBondContact CE1-O 3.33Å; Y192-L245 WeakPolarHBondContact OH-CB 3.35Å; Y192-L245 PolarHBondContact OH-O 3.31Å; Y192-L245 VanDerWaalsContact OH-O 3.06Å; Y192-M249 HydrophobicContact CD2-CG 3.94Å; Y192-M249 HydrophobicContact CE1-CG 4.07Å; Y192-M249 HydrophobicContact CE2-CB 4.47Å; Y192-M249 HydrophobicContact CE2-CE 3.7Å; Y192-M249 HydrophobicContact CE2-CG 3.28Å; Y192-M249 HydrophobicContact CE2-SD 4.26Å; Y192-M249 WeakPolarHBondContact OH-CE 3.4Å; Y192-M249 WeakPolarHBondContact OH-CG 3.22Å
193T80.3Confident80.1Confident63 Ų6362.5 Ų62.539%0.38730%0.304SS..Hα-helixtrans-62.4-40.7174.1-60.20000110.5I189 V190 T191 Y196 R197I189-T193 VanDerWaalsContact O-CB 3.29Å; I189-T193 WeakPolarHBondContact O-CB 3.47Å; I189-T193 PolarHBondContact O-N 3.05Å; I189-T193 PolarHBondContact O-OG1 2.92Å; V190-T193 PolarHBondContact O-N 3.45Å; T191-T193 PolarHBondContact O-N 3.36Å; T193-Y196 PolarHBondContact O-N 2.94Å; T193-R197 WeakPolarHBondContact O-CG 3.37Å; T193-R197 PolarHBondContact O-N 2.92Å
194R83Confident79.4Confident144 Ų14465.3 Ų65.354%0.54331%0.309SS..Hα-helixtrans-64.6-46.8174.6-65.6-73.7-177.8177.70.5111.3Y100 V190 T191 Y192 Y196 R197 I198Y100-R194 HydrophobicContact CD2-CB 4.19Å; Y100-R194 HydrophobicContact CE2-CB 3.67Å; V190-R194 VanDerWaalsContact O-CG 3.27Å; V190-R194 WeakPolarHBondContact O-CG 3.37Å; V190-R194 PolarHBondContact O-N 3.22Å; T191-R194 WeakPolarHBondContact O-CB 3.32Å; T191-R194 PolarHBondContact O-N 3.37Å; Y192-R194 VanDerWaalsContact C-N 3.28Å; Y192-R194 PolarHBondContact O-N 3.29Å; R194-Y196 PolarHBondContact O-N 2.89Å; R194-R197 PolarHBondContact O-N 2.84Å; R194-I198 VanDerWaalsContact O-CG1 3.3Å; R194-I198 WeakPolarHBondContact O-CG1 3.45Å; R194-I198 PolarHBondContact O-N 3.43Å
195I76.9Confident78.8Confident4 Ų468.6 Ų68.62%0.02133%0.329CS..Hα-helixtrans-55.2-50.3174.9-69.9170.9000110.8R99 Y100 I103 T191 Y192 R197 I198 A199 L242R99-I195 HydrophobicContact CB-CD1 4.45Å; Y100-I195 HydrophobicContact CD2-CG1 3.78Å; Y100-I195 HydrophobicContact CG-CG1 4.36Å; I103-I195 HydrophobicContact CD1-CG2 4.06Å; T191-I195 VanDerWaalsContact O-CG1 3.25Å; T191-I195 WeakPolarHBondContact O-CG1 3.45Å; T191-I195 PolarHBondContact O-N 2.97Å; Y192-I195 PolarHBondContact O-N 3.28Å; I195-R197 VanDerWaalsContact C-N 3.33Å; I195-R197 PolarHBondContact O-N 3.37Å; I195-I198 PolarHBondContact O-N 3.01Å; I195-A199 WeakPolarHBondContact O-CB 3.46Å; I195-A199 PolarHBondContact O-N 3.32Å; I195-L242 HydrophobicContact CG2-CD1 4.05Å; I195-L242 HydrophobicContact CG2-CD2 3.24Å; I195-L242 HydrophobicContact CG2-CG 4.26Å
196Y74.9Confident77.9Confident144 Ų14469.5 Ų69.557%0.56533%0.333SS*.Hα-helixtrans-60.1-43.4-179.7178.6-101.5000111.4Y192 T193 R194 A199 Q200Y192-Y196 WeakPolarHBondContact O-CB 3.48Å; Y192-Y196 PolarHBondContact O-N 3.5Å; T193-Y196 PolarHBondContact O-N 2.94Å; R194-Y196 PolarHBondContact O-N 2.89Å; Y196-A199 PolarHBondContact O-N 2.96Å; Y196-Q200 HydrophobicContact CD1-CG 4.12Å; Y196-Q200 HydrophobicContact CD2-CG 4.38Å; Y196-Q200 HydrophobicContact CE1-CG 3.74Å; Y196-Q200 HydrophobicContact CE2-CG 4.02Å; Y196-Q200 HydrophobicContact CG-CG 4.43Å; Y196-Q200 VanDerWaalsContact CZ-NE2 3.3Å; Y196-Q200 WeakPolarHBondContact O-CB 3.32Å; Y196-Q200 VanDerWaalsContact O-CG 3.22Å; Y196-Q200 WeakPolarHBondContact O-CG 3.22Å; Y196-Q200 PolarHBondContact O-N 2.89Å; Y196-Q200 PolarHBondContact OH-NE2 3.34Å
197R79.9Confident77Confident162 Ų16267 Ų6761%0.61132%0.32SS*.Hα-helixtrans-62.7-43.4175.8-74.5-174-178.7-161.92.7112.2T193 R194 I195 Q200 T201T193-R197 WeakPolarHBondContact O-CG 3.37Å; T193-R197 PolarHBondContact O-N 2.92Å; R194-R197 PolarHBondContact O-N 2.84Å; I195-R197 VanDerWaalsContact C-N 3.33Å; I195-R197 PolarHBondContact O-N 3.37Å; R197-Q200 PolarHBondContact O-N 2.9Å; R197-T201 PolarHBondContact O-N 3.32Å; R197-T201 PolarHBondContact O-OG1 2.73Å
198I74.1Confident76.3Confident47 Ų4766.3 Ų66.324%0.24132%0.32CS..Hα-helixtrans-61.3-48.5177.1-67.7164.6000110Y100 I103 R194 I195 Q200 T201 Q202Y100-I198 HydrophobicContact CE2-CD1 3.92Å; I103-I198 HydrophobicContact CG2-CG2 4.12Å; R194-I198 VanDerWaalsContact O-CG1 3.3Å; R194-I198 WeakPolarHBondContact O-CG1 3.45Å; R194-I198 PolarHBondContact O-N 3.43Å; I195-I198 PolarHBondContact O-N 3.01Å; I198-Q200 PolarHBondContact O-N 3.37Å; I198-T201 PolarHBondContact O-N 2.93Å; I198-T201 VanDerWaalsContact O-N 3.15Å; I198-Q202 WeakPolarHBondContact O-CG 3.41Å; I198-Q202 PolarHBondContact O-N 3.11Å
199A68.6Low75.7Confident6 Ų670.3 Ų70.35%0.0534%0.342CS..Hα-helixtrans-60.9-42.7178.200000112.2I195 Y196 T201 Q202 I203 L242I195-A199 WeakPolarHBondContact O-CB 3.46Å; I195-A199 PolarHBondContact O-N 3.32Å; Y196-A199 PolarHBondContact O-N 2.96Å; A199-T201 VanDerWaalsContact C-N 3.31Å; A199-T201 PolarHBondContact O-N 3.23Å; A199-Q202 PolarHBondContact O-N 2.92Å; A199-I203 VanDerWaalsContact O-CG1 3.25Å; A199-I203 WeakPolarHBondContact O-CG1 3.43Å; A199-I203 PolarHBondContact O-N 2.91Å; A199-L242 HydrophobicContact CB-CD1 3.52Å
200Q72.6Confident74.7Confident65 Ų6567.8 Ų67.830%0.30433%0.328SS..Hα-helixtrans-64.6-34.6175.9-74.5-66.6-11.100112.7Y196 R197 I198 R204Y196-Q200 HydrophobicContact CD1-CG 4.12Å; Y196-Q200 HydrophobicContact CD2-CG 4.38Å; Y196-Q200 HydrophobicContact CE1-CG 3.74Å; Y196-Q200 HydrophobicContact CE2-CG 4.02Å; Y196-Q200 HydrophobicContact CG-CG 4.43Å; Y196-Q200 VanDerWaalsContact CZ-NE2 3.3Å; Y196-Q200 WeakPolarHBondContact O-CB 3.32Å; Y196-Q200 VanDerWaalsContact O-CG 3.22Å; Y196-Q200 WeakPolarHBondContact O-CG 3.22Å; Y196-Q200 PolarHBondContact O-N 2.89Å; Y196-Q200 PolarHBondContact OH-NE2 3.34Å; R197-Q200 PolarHBondContact O-N 2.9Å; I198-Q200 PolarHBondContact O-N 3.37Å; Q200-R204 WeakPolarHBondContact O-CB 3.44Å; Q200-R204 VanDerWaalsContact O-CG 3.3Å; Q200-R204 WeakPolarHBondContact O-CG 3.36Å; Q200-R204 PolarHBondContact O-N 3.48Å; Q200-R204 VanDerWaalsContact O-N 3.08Å; Q200-R204 PolarHBondContact O-NE 3.02Å
201T74.1Confident74Confident68 Ų6871.2 Ų71.242%0.41733%0.332SS..Hα-helixtrans-69.2-43.7173.5-60.40000111.1R197 I198 A199 I203 R204 V205R197-T201 PolarHBondContact O-N 3.32Å; R197-T201 PolarHBondContact O-OG1 2.73Å; I198-T201 PolarHBondContact O-N 2.93Å; I198-T201 VanDerWaalsContact O-N 3.15Å; A199-T201 VanDerWaalsContact C-N 3.31Å; A199-T201 PolarHBondContact O-N 3.23Å; T201-I203 PolarHBondContact O-N 3.35Å; T201-R204 PolarHBondContact O-N 3.4Å; T201-R204 PolarHBondContact OG1-NH2 3Å; T201-R204 VanDerWaalsContact OG1-NH2 3.16Å; T201-V205 HydrophobicContact CG2-CG2 4.48Å; T201-V205 WeakPolarHBondContact O-CG2 3.21Å; T201-V205 PolarHBondContact O-N 2.92Å
202Q68.5Low73.4Confident68 Ų6873.3 Ų73.332%0.31835%0.351SS..Hα-helixtrans-60.1-44.9175.1-71.5-179.8-9.200111.9I198 A199 R204 V205 I206I198-Q202 WeakPolarHBondContact O-CG 3.41Å; I198-Q202 PolarHBondContact O-N 3.11Å; A199-Q202 PolarHBondContact O-N 2.92Å; Q202-R204 VanDerWaalsContact C-N 3.34Å; Q202-R204 PolarHBondContact O-N 2.95Å; Q202-V205 PolarHBondContact O-N 3.36Å; Q202-I206 WeakPolarHBondContact O-CD1 3.45Å; Q202-I206 WeakPolarHBondContact O-CG1 3.14Å; Q202-I206 PolarHBondContact O-N 3.44Å
203I70.5Confident72.8Confident65 Ų6573.8 Ų73.833%0.33336%0.36SS..Hα-helixtrans-59.8-43.7175.7-68164.3000111.2A199 T201 I206 S207 T239A199-I203 VanDerWaalsContact O-CG1 3.25Å; A199-I203 WeakPolarHBondContact O-CG1 3.43Å; A199-I203 PolarHBondContact O-N 2.91Å; T201-I203 PolarHBondContact O-N 3.35Å; I203-I206 PolarHBondContact O-N 3.08Å; I203-S207 PolarHBondContact O-N 3.21Å; I203-T239 HydrophobicContact CD1-CG2 4.02Å
204R73.8Confident72.2Confident150 Ų15076.4 Ų76.457%0.56637%0.367SS*.Hα-helixtrans-62.9-47.3178.3-79.5-177.8-74.2163.2-1.6111.9Q200 T201 Q202 I206 S207 S208Q200-R204 WeakPolarHBondContact O-CB 3.44Å; Q200-R204 VanDerWaalsContact O-CG 3.3Å; Q200-R204 WeakPolarHBondContact O-CG 3.36Å; Q200-R204 PolarHBondContact O-N 3.48Å; Q200-R204 VanDerWaalsContact O-N 3.08Å; Q200-R204 PolarHBondContact O-NE 3.02Å; T201-R204 PolarHBondContact O-N 3.4Å; T201-R204 PolarHBondContact OG1-NH2 3Å; T201-R204 VanDerWaalsContact OG1-NH2 3.16Å; Q202-R204 VanDerWaalsContact C-N 3.34Å; Q202-R204 PolarHBondContact O-N 2.95Å; R204-I206 VanDerWaalsContact C-N 3.33Å; R204-I206 PolarHBondContact O-N 3.08Å; R204-S207 PolarHBondContact O-N 3.08Å; R204-S207 PolarHBondContact O-OG 2.77Å; R204-S208 PolarHBondContact O-N 3.43Å; R204-S208 PolarHBondContact O-OG 3.09Å
205V73.6Confident71.3Confident73 Ų7376.8 Ų76.844%0.44238%0.375SS..Hα-helixtrans-60.7-42.3178.4171.50000111.3T201 Q202 S207 S208 L209T201-V205 HydrophobicContact CG2-CG2 4.48Å; T201-V205 WeakPolarHBondContact O-CG2 3.21Å; T201-V205 PolarHBondContact O-N 2.92Å; Q202-V205 PolarHBondContact O-N 3.36Å; V205-S207 PolarHBondContact O-N 3.02Å; V205-S208 WeakPolarHBondContact CA-OG 3.39Å; V205-S208 PolarHBondContact O-N 3.15Å; V205-S208 PolarHBondContact O-OG 2.97Å; V205-L209 HydrophobicContact CG1-CD1 4.07Å; V205-L209 HydrophobicContact CG1-CG 4.47Å; V205-L209 WeakPolarHBondContact O-CG 3.44Å; V205-L209 PolarHBondContact O-N 3.32Å
206I68.3Low70.7Confident33 Ų3379.4 Ų79.417%0.16940%0.398CS..Hα-helixtrans-61.9-47.7175.9-64.5155.7000110Q202 I203 R204 S208 L209 E210 R232 I235Q202-I206 WeakPolarHBondContact O-CD1 3.45Å; Q202-I206 WeakPolarHBondContact O-CG1 3.14Å; Q202-I206 PolarHBondContact O-N 3.44Å; I203-I206 PolarHBondContact O-N 3.08Å; R204-I206 VanDerWaalsContact C-N 3.33Å; R204-I206 PolarHBondContact O-N 3.08Å; I206-S208 VanDerWaalsContact C-N 3.26Å; I206-S208 PolarHBondContact O-N 3.35Å; I206-L209 CarbonylContact O-C 3.44Å; I206-L209 PolarHBondContact O-N 3Å; I206-L209 VanDerWaalsContact O-N 3.08Å; I206-E210 HydrophobicContact CG2-CG 4.23Å; I206-E210 VanDerWaalsContact O-CG 3.29Å; I206-E210 WeakPolarHBondContact O-CG 3.48Å; I206-E210 PolarHBondContact O-N 3.37Å; I206-R232 HydrophobicContact CG2-CG 4.49Å; I206-I235 HydrophobicContact CD1-CB 4.01Å; I206-I235 HydrophobicContact CD1-CD1 3.38Å; I206-I235 HydrophobicContact CD1-CG1 4.23Å; I206-I235 HydrophobicContact CD1-CG2 3.48Å; I206-I235 VanDerWaalsContact CD1-CG2 3.48Å; I206-I235 HydrophobicContact CG1-CD1 4.04Å
207S71.6Confident70Confident35 Ų3577.4 Ų77.425%0.24539%0.393CS..Hα-helixtrans-62.2-31.1179.777.20000113.6I203 R204 V205 R211I203-S207 PolarHBondContact O-N 3.21Å; R204-S207 PolarHBondContact O-N 3.08Å; R204-S207 PolarHBondContact O-OG 2.77Å; V205-S207 PolarHBondContact O-N 3.02Å; S207-R211 PolarHBondContact O-N 3.03Å; S207-R211 PolarHBondContact O-NE 3.46Å; S207-R211 PolarHBondContact OG-NH2 3.35Å; S207-R211 VanDerWaalsContact OG-NH2 3.1Å
208S73.1Confident69Low54 Ų5474.8 Ų74.838%0.37840%0.4SS..Hα-helixtrans-73.9-38172.948.40000112.5R204 V205 I206 E210 R211 A212R204-S208 PolarHBondContact O-N 3.43Å; R204-S208 PolarHBondContact O-OG 3.09Å; V205-S208 WeakPolarHBondContact CA-OG 3.39Å; V205-S208 PolarHBondContact O-N 3.15Å; V205-S208 PolarHBondContact O-OG 2.97Å; I206-S208 VanDerWaalsContact C-N 3.26Å; I206-S208 PolarHBondContact O-N 3.35Å; S208-E210 VanDerWaalsContact C-N 3.33Å; S208-R211 PolarHBondContact O-N 2.93Å; S208-A212 WeakPolarHBondContact O-CB 3.32Å; S208-A212 PolarHBondContact O-N 3.48Å
209L72.1Confident68.2Low89 Ų8977.7 Ų77.747%0.46642%0.423SS..Hα-helixtrans-67.1-34.8173.9-70172.3000111.7V205 I206 A212 A213V205-L209 HydrophobicContact CG1-CD1 4.07Å; V205-L209 HydrophobicContact CG1-CG 4.47Å; V205-L209 WeakPolarHBondContact O-CG 3.44Å; V205-L209 PolarHBondContact O-N 3.32Å; I206-L209 CarbonylContact O-C 3.44Å; I206-L209 PolarHBondContact O-N 3Å; I206-L209 VanDerWaalsContact O-N 3.08Å; L209-A212 PolarHBondContact O-N 3.47Å; L209-A213 WeakPolarHBondContact O-CB 3.49Å; L209-A213 PolarHBondContact O-N 3.39Å
210E65.8Low67.4Low43 Ų4387.7 Ų87.720%0.20146%0.46CS..Hα-helixtrans-61.4-48.5172.9-69.8-174156.400111.1I206 S208 A212 A213 E214 R232I206-E210 HydrophobicContact CG2-CG 4.23Å; I206-E210 VanDerWaalsContact O-CG 3.29Å; I206-E210 WeakPolarHBondContact O-CG 3.48Å; I206-E210 PolarHBondContact O-N 3.37Å; S208-E210 VanDerWaalsContact C-N 3.33Å; E210-A212 PolarHBondContact O-N 3.35Å; E210-A213 PolarHBondContact O-N 2.87Å; E210-E214 WeakPolarHBondContact O-CB 3.26Å; E210-E214 WeakPolarHBondContact O-CG 3.38Å; E210-E214 PolarHBondContact O-N 2.97Å; E210-R232 VanDerWaalsContact CG-CZ 3.43Å; E210-R232 VanDerWaalsContact OE1-CD 3.31Å; E210-R232 WeakPolarHBondContact OE1-CD 3.47Å; E210-R232 IonicContact OE1-CZ 2.64Å; E210-R232 IonicContact OE1-NE 3.04Å; E210-R232 PolarHBondContact OE1-NE 2.95Å; E210-R232 IonicContact OE1-NH1 3.24Å; E210-R232 PolarHBondContact OE1-NH1 3.33Å; E210-R232 IonicContact OE1-NH2 3.21Å
211R71.1Confident66.3Low147 Ų14790.3 Ų90.356%0.55549%0.485SS*.Hα-helixtrans-63.1-39.4176.9-78.4-177.6-104.7117.5-1.1112.9S207 S208 H215S207-R211 PolarHBondContact O-N 3.03Å; S207-R211 PolarHBondContact O-NE 3.46Å; S207-R211 PolarHBondContact OG-NH2 3.35Å; S207-R211 VanDerWaalsContact OG-NH2 3.1Å; S208-R211 PolarHBondContact O-N 2.93Å; R211-H215 PolarHBondContact O-N 3.21Å; R211-H215 VanDerWaalsContact O-N 3.13Å; R211-H215 PolarHBondContact O-ND1 2.94Å
212A70.7Confident65.2Low59 Ų5996.5 Ų96.549%0.48851%0.509SS..Hα-helixtrans-68.5-39176.400000112.3S208 L209 E210 H215 A216S208-A212 WeakPolarHBondContact O-CB 3.32Å; S208-A212 PolarHBondContact O-N 3.48Å; L209-A212 PolarHBondContact O-N 3.47Å; E210-A212 PolarHBondContact O-N 3.35Å; A212-H215 PolarHBondContact O-N 2.93Å; A212-A216 WeakPolarHBondContact O-CB 3.29Å; A212-A216 PolarHBondContact O-N 2.88Å
213A65.9Low64.3Low31 Ų3198.7 Ų98.726%0.25653%0.53SS..Hα-helixtrans-69.1-37.9176.500000112.4L209 E210 A216 Q217L209-A213 WeakPolarHBondContact O-CB 3.49Å; L209-A213 PolarHBondContact O-N 3.39Å; E210-A213 PolarHBondContact O-N 2.87Å; A213-A216 PolarHBondContact O-N 3.41Å; A213-Q217 WeakPolarHBondContact O-CB 3.35Å; A213-Q217 PolarHBondContact O-N 3.05Å
214E66.1Low63.4Low117 Ų117101 Ų10155%0.54755%0.55SS..Hα-helixtrans-63.2-41.6173.5-75.9172.2-177.300111.5E210 Q217 S218E210-E214 WeakPolarHBondContact O-CB 3.26Å; E210-E214 WeakPolarHBondContact O-CG 3.38Å; E210-E214 PolarHBondContact O-N 2.97Å; E214-Q217 PolarHBondContact O-N 3.32Å; E214-S218 PolarHBondContact O-N 3.31Å
215H65Low62.5Low152 Ų15297.5 Ų97.570%0.70454%0.542SS*.Hα-helixtrans-64.4-40.4173.2-87.653.3000112.5R211 A212 S218R211-H215 PolarHBondContact O-N 3.21Å; R211-H215 VanDerWaalsContact O-N 3.13Å; R211-H215 PolarHBondContact O-ND1 2.94Å; A212-H215 PolarHBondContact O-N 2.93Å; H215-S218 PolarHBondContact O-N 3.36Å
216A63.6Low61.4Low60 Ų60101 Ų10150%0.49655%0.554SS.*Hα-helixtrans-70.2-31.9177.200000113.1A212 A213 C219 R220A212-A216 WeakPolarHBondContact O-CB 3.29Å; A212-A216 PolarHBondContact O-N 2.88Å; A213-A216 PolarHBondContact O-N 3.41Å; A216-C219 PolarHBondContact O-N 2.67Å; A216-C219 VanDerWaalsContact O-N 3.14Å; A216-R220 PolarHBondContact O-N 3.43Å
217Q60.9Low60.7Low102 Ų102103.8 Ų103.848%0.47758%0.576SS.*Hα-helixtrans-71.3-28.2176.4-99.1175-22.800113.2A213 E214 C219 R220A213-Q217 WeakPolarHBondContact O-CB 3.35Å; A213-Q217 PolarHBondContact O-N 3.05Å; E214-Q217 PolarHBondContact O-N 3.32Å; Q217-C219 PolarHBondContact O-N 3.17Å; Q217-C219 VanDerWaalsContact O-N 3.14Å; Q217-R220 PolarHBondContact O-N 2.94Å
218S58.6Low59.9Low107 Ų107105.5 Ų105.575%0.74858%0.58SS**THydrogen-bonded Turntrans-60.3-18.8168.8-171.80000112.6E214 H215E214-S218 PolarHBondContact O-N 3.31Å; H215-S218 PolarHBondContact O-N 3.36Å
219C58.8Low59Low108 Ų108112 Ų11273%0.7360%0.596SS**THydrogen-bonded Turntrans-106.7-7.8-178.1-60.60000114.4A216 Q217A216-C219 PolarHBondContact O-N 2.67Å; A216-C219 VanDerWaalsContact O-N 3.14Å; Q217-C219 PolarHBondContact O-N 3.17Å; Q217-C219 VanDerWaalsContact O-N 3.14Å
220R50.8Low58.1Low216 Ų216114.4 Ų114.482%0.81561%0.605SS**SBendtrans-137.9118.2-179.6-86.7-175.1174.5176.4-1.6112.7A216 Q217 H222A216-R220 PolarHBondContact O-N 3.43Å; Q217-R220 PolarHBondContact O-N 2.94Å; R220-H222 PolarHBondContact O-N 2.65Å
221S49.5Very low57.6Low120 Ų120117.1 Ų117.184%0.83962%0.621SS**  trans-62.9126.216834.40000111.6
222H51.1Low56.8Low197 Ų197113.2 Ų113.291%0.91261%0.606SS**  trans47.896.8160.1-107.357000118.7R220R220-H222 PolarHBondContact O-N 2.65Å
223C48.6Very low56.1Low114 Ų114113.7 Ų113.777%0.7760%0.602SS**  trans-140.9147.5152.2-100.10000111.3
224P51.9Low55.5Low114 Ų114115 Ų11574%0.7461%0.61SS**  trans-78.5129.7-167.4-7.625.3000112.8Q226P224-Q226 VanDerWaalsContact C-N 3.32Å; P224-Q226 PolarHBondContact O-N 3.2Å
225N55Low55Low77 Ų77110.7 Ų110.741%0.41259%0.59SS.*  trans-88.231-168.1-143.2-4.3000113.9R229N225-R229 WeakPolarHBondContact O-CB 3.35Å; N225-R229 PolarHBondContact O-N 3.08Å
226Q52Low54.5Low147 Ų147111 Ų11169%0.68759%0.585SS**Hα-helixtrans-69.7-46.6-167.3-80.8-179.24.100113.5P224 H228 R229 E230P224-Q226 VanDerWaalsContact C-N 3.32Å; P224-Q226 PolarHBondContact O-N 3.2Å; Q226-H228 PolarHBondContact O-N 2.71Å; Q226-R229 PolarHBondContact O-N 3.4Å; Q226-E230 PolarHBondContact O-N 3.22Å; Q226-E230 VanDerWaalsContact O-N 3.1Å
227S53.2Low54.1Low91 Ų91114.8 Ų114.864%0.63659%0.591SS**Hα-helixtrans-63.9-40.5-17858.20000113.2R229 L231S227-R229 VanDerWaalsContact C-N 3.34Å; S227-R229 PolarHBondContact O-N 3.04Å; S227-L231 PolarHBondContact O-N 3.07Å; S227-L231 VanDerWaalsContact O-N 3.15Å
228H53.7Low53.9Low70 Ų70114.7 Ų114.732%0.32459%0.59SS.*Hα-helixtrans-68.3-32.1176.6-106.8-96.2000112.6Q226 R232Q226-H228 PolarHBondContact O-N 2.71Å; H228-R232 WeakPolarHBondContact O-CB 3.47Å; H228-R232 WeakPolarHBondContact O-CG 3.47Å; H228-R232 PolarHBondContact O-N 3.36Å; H228-R232 VanDerWaalsContact O-N 3.13Å
229R53.9Low53.7Low190 Ų190111.8 Ų111.872%0.71757%0.568SS**Hα-helixtrans-73.7-38.6178.5-172.8172.6170.1-172.7-4.6111.7N225 Q226 S227 R232 V233N225-R229 WeakPolarHBondContact O-CB 3.35Å; N225-R229 PolarHBondContact O-N 3.08Å; Q226-R229 PolarHBondContact O-N 3.4Å; S227-R229 VanDerWaalsContact C-N 3.34Å; S227-R229 PolarHBondContact O-N 3.04Å; R229-R232 PolarHBondContact O-N 3.45Å; R229-V233 VanDerWaalsContact O-CG2 3.3Å; R229-V233 WeakPolarHBondContact O-CG2 3.3Å; R229-V233 PolarHBondContact O-N 3.48Å
230E54.5Low53.6Low141 Ų141112.4 Ų112.466%0.65956%0.558SS**Hα-helixtrans-65.2-44.8174.9-72.4-177.7166.200112.1Q226 R232 V233 S234Q226-E230 PolarHBondContact O-N 3.22Å; Q226-E230 VanDerWaalsContact O-N 3.1Å; E230-R232 PolarHBondContact O-N 3.47Å; E230-V233 PolarHBondContact O-N 3.21Å; E230-S234 PolarHBondContact O-N 2.91Å
231L53.9Low53.9Low100 Ų100105 Ų10552%0.52454%0.537SS..Hα-helixtrans-60.1-43.2174.9-173.566.3000112S227 V233 S234 I235S227-L231 PolarHBondContact O-N 3.07Å; S227-L231 VanDerWaalsContact O-N 3.15Å; L231-V233 PolarHBondContact O-N 2.96Å; L231-S234 PolarHBondContact O-N 3.38Å; L231-I235 HydrophobicContact CD1-CD1 4.07Å; L231-I235 HydrophobicContact CG-CD1 3.95Å; L231-I235 WeakPolarHBondContact O-CG1 3.38Å; L231-I235 PolarHBondContact O-N 3.13Å
232R54.6Low54.3Low64 Ų64100.2 Ų100.224%0.24250%0.502CS..Hα-helixtrans-62.4-39.3175.7-75.8-179.8-157.7-157.813.6112.8I206 E210 H228 R229 E230 R236I206-R232 HydrophobicContact CG2-CG 4.49Å; E210-R232 VanDerWaalsContact CG-CZ 3.43Å; E210-R232 VanDerWaalsContact OE1-CD 3.31Å; E210-R232 WeakPolarHBondContact OE1-CD 3.47Å; E210-R232 IonicContact OE1-CZ 2.64Å; E210-R232 IonicContact OE1-NE 3.04Å; E210-R232 PolarHBondContact OE1-NE 2.95Å; E210-R232 IonicContact OE1-NH1 3.24Å; E210-R232 PolarHBondContact OE1-NH1 3.33Å; E210-R232 IonicContact OE1-NH2 3.21Å; H228-R232 WeakPolarHBondContact O-CB 3.47Å; H228-R232 WeakPolarHBondContact O-CG 3.47Å; H228-R232 PolarHBondContact O-N 3.36Å; H228-R232 VanDerWaalsContact O-N 3.13Å; R229-R232 PolarHBondContact O-N 3.45Å; E230-R232 PolarHBondContact O-N 3.47Å; R232-R236 WeakPolarHBondContact O-CB 3.48Å; R232-R236 WeakPolarHBondContact O-CG 3.31Å; R232-R236 PolarHBondContact O-N 3.35Å; R232-R236 VanDerWaalsContact O-N 3.1Å
233V55.8Low54.8Low69 Ų6996 Ų9642%0.41848%0.481SS..Hα-helixtrans-69.2-40.6177.5169.90000110.7R229 E230 L231 K237R229-V233 VanDerWaalsContact O-CG2 3.3Å; R229-V233 WeakPolarHBondContact O-CG2 3.3Å; R229-V233 PolarHBondContact O-N 3.48Å; E230-V233 PolarHBondContact O-N 3.21Å; L231-V233 PolarHBondContact O-N 2.96Å; V233-K237 HydrophobicContact CG1-CD 4.17Å; V233-K237 WeakPolarHBondContact O-CB 3.29Å; V233-K237 VanDerWaalsContact O-CG 3.29Å; V233-K237 WeakPolarHBondContact O-CG 3.32Å; V233-K237 PolarHBondContact O-N 3.38Å
234S54.8Low55.5Low58 Ų5891.9 Ų91.941%0.40645%0.452SS..Hα-helixtrans-60-49.6175.9-165.30000111.5E230 L231 R236 K237 E238E230-S234 PolarHBondContact O-N 2.91Å; L231-S234 PolarHBondContact O-N 3.38Å; S234-R236 PolarHBondContact O-N 3.5Å; S234-K237 WeakPolarHBondContact O-CB 3.32Å; S234-K237 PolarHBondContact O-N 3.05Å; S234-K237 VanDerWaalsContact O-N 3.14Å; S234-E238 PolarHBondContact O-N 2.98Å
235I54.7Low56Low27 Ų2787.3 Ų87.314%0.13842%0.421CS..Hα-helixtrans-70.1-35.9-176.8-61.9169.1000112.5I206 L231 K237 E238 T239I206-I235 HydrophobicContact CD1-CB 4.01Å; I206-I235 HydrophobicContact CD1-CD1 3.38Å; I206-I235 HydrophobicContact CD1-CG1 4.23Å; I206-I235 HydrophobicContact CD1-CG2 3.48Å; I206-I235 VanDerWaalsContact CD1-CG2 3.48Å; I206-I235 HydrophobicContact CG1-CD1 4.04Å; L231-I235 HydrophobicContact CD1-CD1 4.07Å; L231-I235 HydrophobicContact CG-CD1 3.95Å; L231-I235 WeakPolarHBondContact O-CG1 3.38Å; L231-I235 PolarHBondContact O-N 3.13Å; I235-K237 VanDerWaalsContact C-N 3.33Å; I235-K237 PolarHBondContact O-N 2.9Å; I235-E238 PolarHBondContact O-N 3.31Å; I235-T239 PolarHBondContact O-N 3.29Å; I235-T239 PolarHBondContact O-OG1 3.49Å
236R54.5Low56.4Low159 Ų15986.5 Ų86.560%0.642%0.422SS*.Hα-helixtrans-65.4-35.6172.1-77.8-177.1-176.91724.5112.3R232 S234 K240R232-R236 WeakPolarHBondContact O-CB 3.48Å; R232-R236 WeakPolarHBondContact O-CG 3.31Å; R232-R236 PolarHBondContact O-N 3.35Å; R232-R236 VanDerWaalsContact O-N 3.1Å; S234-R236 PolarHBondContact O-N 3.5Å; R236-K240 WeakPolarHBondContact O-CG 3.49Å; R236-K240 PolarHBondContact O-N 3.5Å; R236-K240 VanDerWaalsContact O-N 3.14Å
237K55.1Low57.2Low140 Ų14082.9 Ų82.961%0.60941%0.406SS*.Hα-helixtrans-65.6-44.1173.3-76.7175.3178.6-179.30110.5V233 S234 I235 T239 K240 V241V233-K237 HydrophobicContact CG1-CD 4.17Å; V233-K237 WeakPolarHBondContact O-CB 3.29Å; V233-K237 VanDerWaalsContact O-CG 3.29Å; V233-K237 WeakPolarHBondContact O-CG 3.32Å; V233-K237 PolarHBondContact O-N 3.38Å; S234-K237 WeakPolarHBondContact O-CB 3.32Å; S234-K237 PolarHBondContact O-N 3.05Å; S234-K237 VanDerWaalsContact O-N 3.14Å; I235-K237 VanDerWaalsContact C-N 3.33Å; I235-K237 PolarHBondContact O-N 2.9Å; K237-T239 PolarHBondContact O-N 3.09Å; K237-K240 PolarHBondContact O-N 3.42Å; K237-V241 WeakPolarHBondContact O-CG2 3.31Å; K237-V241 PolarHBondContact O-N 3.08Å; K237-V241 VanDerWaalsContact O-N 3.14Å
238E56.3Low57.9Low99 Ų9979 Ų7946%0.46338%0.378SS..Hα-helixtrans-62.7-40.5176.7-71.8-173.8164.500112.6S234 I235 K240 V241 L242S234-E238 PolarHBondContact O-N 2.98Å; I235-E238 PolarHBondContact O-N 3.31Å; E238-K240 VanDerWaalsContact C-N 3.32Å; E238-K240 PolarHBondContact O-N 2.91Å; E238-V241 PolarHBondContact O-N 2.96Å; E238-L242 WeakPolarHBondContact O-CG 3.18Å; E238-L242 PolarHBondContact O-N 3.47Å; E238-L242 VanDerWaalsContact O-N 3.1Å
239T54.5Low58.7Low47 Ų4776.4 Ų76.429%0.28837%0.366SS..Hα-helixtrans-68-30.4177-49.60000112.5I203 I235 K237 L242 K243I203-T239 HydrophobicContact CD1-CG2 4.02Å; I235-T239 PolarHBondContact O-N 3.29Å; I235-T239 PolarHBondContact O-OG1 3.49Å; K237-T239 PolarHBondContact O-N 3.09Å; T239-L242 WeakPolarHBondContact O-CB 3.29Å; T239-L242 PolarHBondContact O-N 3.35Å; T239-K243 PolarHBondContact O-N 2.65Å
240K57Low59.7Low120 Ų12069 Ų6952%0.52235%0.35SS..Hα-helixtrans-68.3-39.6172.7-78.9-179.9179.2-177.20112R236 K237 E238 L242 K243 T244R236-K240 WeakPolarHBondContact O-CG 3.49Å; R236-K240 PolarHBondContact O-N 3.5Å; R236-K240 VanDerWaalsContact O-N 3.14Å; K237-K240 PolarHBondContact O-N 3.42Å; E238-K240 VanDerWaalsContact C-N 3.32Å; E238-K240 PolarHBondContact O-N 2.91Å; K240-L242 VanDerWaalsContact C-N 3.27Å; K240-L242 PolarHBondContact O-N 3.31Å; K240-K243 PolarHBondContact O-N 3.36Å; K240-T244 PolarHBondContact O-N 2.84Å
241V57.1Low61Low61 Ų6164.1 Ų64.137%0.3733%0.329SS..Hα-helixtrans-62.1-38.4175174.60000110.6K237 E238 K243 T244 L245K237-V241 WeakPolarHBondContact O-CG2 3.31Å; K237-V241 PolarHBondContact O-N 3.08Å; K237-V241 VanDerWaalsContact O-N 3.14Å; E238-V241 PolarHBondContact O-N 2.96Å; V241-K243 PolarHBondContact O-N 2.88Å; V241-T244 PolarHBondContact O-N 3.45Å; V241-L245 HydrophobicContact CG1-CD1 3.99Å; V241-L245 HydrophobicContact CG1-CG 4.47Å; V241-L245 WeakPolarHBondContact O-CG 3.42Å; V241-L245 PolarHBondContact O-N 3.33Å; V241-L245 VanDerWaalsContact O-N 3.1Å
242L57.7Low62.2Low19 Ų1959.5 Ų59.510%0.09931%0.305CS..Hα-helixtrans-61.6-40.2174.7-71.9179.5000114I103 I195 A199 E238 T239 K240 T244 L245 S246I103-L242 HydrophobicContact CD1-CD1 4.36Å; I103-L242 HydrophobicContact CD1-CD2 3.35Å; I103-L242 HydrophobicContact CD1-CG 4.12Å; I195-L242 HydrophobicContact CG2-CD1 4.05Å; I195-L242 HydrophobicContact CG2-CD2 3.24Å; I195-L242 HydrophobicContact CG2-CG 4.26Å; A199-L242 HydrophobicContact CB-CD1 3.52Å; E238-L242 WeakPolarHBondContact O-CG 3.18Å; E238-L242 PolarHBondContact O-N 3.47Å; E238-L242 VanDerWaalsContact O-N 3.1Å; T239-L242 WeakPolarHBondContact O-CB 3.29Å; T239-L242 PolarHBondContact O-N 3.35Å; K240-L242 VanDerWaalsContact C-N 3.27Å; K240-L242 PolarHBondContact O-N 3.31Å; L242-T244 VanDerWaalsContact C-N 3.35Å; L242-T244 PolarHBondContact O-N 3.01Å; L242-L245 PolarHBondContact O-N 2.91Å; L242-S246 PolarHBondContact O-N 3.15Å; L242-S246 PolarHBondContact O-OG 3.35Å
243K62.7Low63.5Low110 Ų11058 Ų5848%0.47830%0.303SS..Hα-helixtrans-61.7-43.5177.5-172.6-179.9176.3-174.20111.7T239 K240 V241 S246 I247T239-K243 PolarHBondContact O-N 2.65Å; K240-K243 PolarHBondContact O-N 3.36Å; V241-K243 PolarHBondContact O-N 2.88Å; K243-S246 PolarHBondContact O-N 2.8Å; K243-I247 HydrophobicContact CG-CD1 4.38Å; K243-I247 VanDerWaalsContact O-CG1 3.31Å; K243-I247 WeakPolarHBondContact O-CG1 3.04Å; K243-I247 PolarHBondContact O-N 3.41Å
244T61.8Low64.9Low27 Ų2759.1 Ų59.117%0.16631%0.313CS..Hα-helixtrans-64.6-42.5177.1-55.60000111.1K240 V241 L242 S246 I247 I248 I306 F309K240-T244 PolarHBondContact O-N 2.84Å; V241-T244 PolarHBondContact O-N 3.45Å; L242-T244 VanDerWaalsContact C-N 3.35Å; L242-T244 PolarHBondContact O-N 3.01Å; T244-S246 PolarHBondContact O-N 3.07Å; T244-I247 PolarHBondContact O-N 3.13Å; T244-I248 WeakPolarHBondContact O-CG1 3.34Å; T244-I248 PolarHBondContact O-N 2.96Å; T244-I248 VanDerWaalsContact O-N 3.13Å; T244-I306 HydrophobicContact CG2-CG2 3.93Å; T244-F309 HydrophobicContact CG2-CB 3.86Å
245L63.8Low66.3Low18 Ų1857 Ų579%0.09430%0.298CS..Hα-helixtrans-65.2-36.4178.6-72171.8000113.5I95 R99 Y192 V241 L242 I247 I248 M249I95-L245 HydrophobicContact CG2-CD2 4.47Å; R99-L245 HydrophobicContact CB-CD1 4.18Å; R99-L245 HydrophobicContact CG-CD1 3.65Å; R99-L245 HydrophobicContact CG-CD2 4.29Å; Y192-L245 HydrophobicContact CE1-CB 3.88Å; Y192-L245 WeakPolarHBondContact CE1-O 3.33Å; Y192-L245 WeakPolarHBondContact OH-CB 3.35Å; Y192-L245 PolarHBondContact OH-O 3.31Å; Y192-L245 VanDerWaalsContact OH-O 3.06Å; V241-L245 HydrophobicContact CG1-CD1 3.99Å; V241-L245 HydrophobicContact CG1-CG 4.47Å; V241-L245 WeakPolarHBondContact O-CG 3.42Å; V241-L245 PolarHBondContact O-N 3.33Å; V241-L245 VanDerWaalsContact O-N 3.1Å; L242-L245 PolarHBondContact O-N 2.91Å; L245-I247 VanDerWaalsContact C-N 3.34Å; L245-I248 HydrophobicContact CD2-CD1 4.15Å; L245-I248 PolarHBondContact O-N 3.15Å; L245-M249 PolarHBondContact O-N 3.47Å
246S63.5Low67.7Low59 Ų5956.2 Ų56.241%0.41329%0.293SS..Hα-helixtrans-69.4-31.5174.3-66.70000112.8L242 K243 T244 G250L242-S246 PolarHBondContact O-N 3.15Å; L242-S246 PolarHBondContact O-OG 3.35Å; K243-S246 PolarHBondContact O-N 2.8Å; T244-S246 PolarHBondContact O-N 3.07Å; S246-G250 PolarHBondContact O-N 3.37Å; S246-G250 VanDerWaalsContact O-N 3.08Å
247I68Low69.3Low72 Ų7251.7 Ų51.737%0.36928%0.281SS..Hα-helixtrans-66.8-41.8173.7-67.8165.2000110.3K243 T244 L245 M249 G250 V251K243-I247 HydrophobicContact CG-CD1 4.38Å; K243-I247 VanDerWaalsContact O-CG1 3.31Å; K243-I247 WeakPolarHBondContact O-CG1 3.04Å; K243-I247 PolarHBondContact O-N 3.41Å; T244-I247 PolarHBondContact O-N 3.13Å; L245-I247 VanDerWaalsContact C-N 3.34Å; I247-M249 VanDerWaalsContact C-N 3.31Å; I247-M249 PolarHBondContact O-N 3.09Å; I247-G250 PolarHBondContact O-N 3.21Å; I247-V251 HydrophobicContact CG2-CG2 4.16Å; I247-V251 WeakPolarHBondContact O-CB 3.47Å; I247-V251 VanDerWaalsContact O-CG2 3.29Å; I247-V251 WeakPolarHBondContact O-CG2 3.08Å; I247-V251 PolarHBondContact O-N 3.11Å
248I68.4Low70.7Confident9 Ų946.9 Ų46.95%0.04626%0.264CS..Hα-helixtrans-53.8-49.2175.7-62.1171.7000111L92 T244 L245 V251 F252 I306 Y307L92-I248 HydrophobicContact CD2-CG2 3.61Å; T244-I248 WeakPolarHBondContact O-CG1 3.34Å; T244-I248 PolarHBondContact O-N 2.96Å; T244-I248 VanDerWaalsContact O-N 3.13Å; L245-I248 HydrophobicContact CD2-CD1 4.15Å; L245-I248 PolarHBondContact O-N 3.15Å; I248-V251 PolarHBondContact O-N 3.48Å; I248-F252 PolarHBondContact O-N 3Å; I248-F252 VanDerWaalsContact O-N 3.07Å; I248-I306 HydrophobicContact CB-CG2 4.39Å; I248-I306 HydrophobicContact CD1-CG2 3.87Å; I248-I306 HydrophobicContact CG1-CB 3.94Å; I248-I306 HydrophobicContact CG1-CD1 4.13Å; I248-I306 HydrophobicContact CG1-CG2 3.14Å; I248-Y307 HydrophobicContact CD1-CE1 4.14Å
249M69.9Low72Confident15 Ų1543.2 Ų43.27%0.07425%0.246CC..Hα-helixtrans-71.8-37.3-175.9-57.4-27.1-153.800112.7L92 S96 M188 Y192 L245 I247 F252 V253L92-M249 HydrophobicContact CB-CE 3.95Å; L92-M249 HydrophobicContact CB-SD 4.45Å; L92-M249 HydrophobicContact CD2-CE 4.13Å; L92-M249 HydrophobicContact CD2-SD 4.11Å; L92-M249 WeakPolarHBondContact O-CE 3.22Å; S96-M249 WeakPolarHBondContact OG-CE 3.26Å; M188-M249 HydrophobicContact CE-CB 3.74Å; M188-M249 HydrophobicContact CE-CE 3.53Å; M188-M249 HydrophobicContact CE-CG 3.53Å; M188-M249 HydrophobicContact CE-SD 3.25Å; M188-M249 WeakPolarHBondContact CE-SD 3.43Å; M188-M249 HydrophobicContact SD-CE 4.33Å; Y192-M249 HydrophobicContact CD2-CG 3.94Å; Y192-M249 HydrophobicContact CE1-CG 4.07Å; Y192-M249 HydrophobicContact CE2-CB 4.47Å; Y192-M249 HydrophobicContact CE2-CE 3.7Å; Y192-M249 HydrophobicContact CE2-CG 3.28Å; Y192-M249 HydrophobicContact CE2-SD 4.26Å; Y192-M249 WeakPolarHBondContact OH-CE 3.4Å; Y192-M249 WeakPolarHBondContact OH-CG 3.22Å; L245-M249 PolarHBondContact O-N 3.47Å; I247-M249 VanDerWaalsContact C-N 3.31Å; I247-M249 PolarHBondContact O-N 3.09Å; M249-F252 PolarHBondContact O-N 3.11Å; M249-V253 WeakPolarHBondContact O-CG2 3.43Å; M249-V253 PolarHBondContact O-N 3.36Å; M249-V253 VanDerWaalsContact O-N 3.09Å
250G75.6Confident73.4Confident36 Ų3641.9 Ų41.937%0.37124%0.237SC..Hα-helixtrans-62.1-46.2175.100000112S246 I247 F252 V253 C254S246-G250 PolarHBondContact O-N 3.37Å; S246-G250 VanDerWaalsContact O-N 3.08Å; I247-G250 PolarHBondContact O-N 3.21Å; G250-F252 PolarHBondContact O-N 3.47Å; G250-V253 PolarHBondContact O-N 2.92Å; G250-C254 WeakPolarHBondContact O-CB 3.42Å; G250-C254 PolarHBondContact O-N 3.41Å; G250-C254 PolarHBondContact O-SG 3.27Å
251V81.1Confident74.7Confident38 Ų3840.3 Ų40.323%0.2323%0.233CC..Hα-helixtrans-60.3-46.6177.5171.20000110.7I247 I248 V253 C254 C255 L302 I306I247-V251 HydrophobicContact CG2-CG2 4.16Å; I247-V251 WeakPolarHBondContact O-CB 3.47Å; I247-V251 VanDerWaalsContact O-CG2 3.29Å; I247-V251 WeakPolarHBondContact O-CG2 3.08Å; I247-V251 PolarHBondContact O-N 3.11Å; I248-V251 PolarHBondContact O-N 3.48Å; V251-V253 PolarHBondContact O-N 3.2Å; V251-C254 PolarHBondContact O-N 3.27Å; V251-C255 WeakPolarHBondContact O-CB 3.23Å; V251-C255 PolarHBondContact O-N 2.95Å; V251-C255 PolarHBondContact O-SG 3.45Å; V251-C255 VanDerWaalsContact O-SG 3.33Å; V251-L302 HydrophobicContact CG1-CB 4.25Å; V251-L302 HydrophobicContact CG1-CD1 3.46Å; V251-L302 VanDerWaalsContact CG1-CD1 3.46Å; V251-L302 HydrophobicContact CG1-CG 4.49Å; V251-I306 HydrophobicContact CB-CD1 4.39Å; V251-I306 HydrophobicContact CG1-CD1 4.4Å
252F78.7Confident75.6Confident3 Ų338.5 Ų38.51%0.01322%0.221CC..Hα-helixtrans-56.7-51.9178.4-177.2-87.1000112.5I89 L92 F181 I248 M249 G250 C254 C255 W256 N299I89-F252 HydrophobicContact CB-CE1 4.04Å; I89-F252 HydrophobicContact CB-CE2 4.15Å; I89-F252 HydrophobicContact CB-CZ 3.49Å; I89-F252 VanDerWaalsContact CB-CZ 3.49Å; I89-F252 HydrophobicContact CD1-CD1 4.49Å; I89-F252 HydrophobicContact CD1-CE1 3.39Å; I89-F252 HydrophobicContact CD1-CZ 3.67Å; I89-F252 HydrophobicContact CG1-CD1 4.38Å; I89-F252 HydrophobicContact CG1-CE1 3.46Å; I89-F252 VanDerWaalsContact CG1-CE1 3.46Å; I89-F252 HydrophobicContact CG1-CE2 4.39Å; I89-F252 HydrophobicContact CG1-CZ 3.5Å; I89-F252 VanDerWaalsContact CG1-CZ 3.5Å; L92-F252 HydrophobicContact CD1-CB 3.97Å; L92-F252 HydrophobicContact CD1-CD1 4.38Å; L92-F252 HydrophobicContact CD1-CD2 3.16Å; L92-F252 HydrophobicContact CD1-CE2 3.76Å; L92-F252 HydrophobicContact CD1-CG 3.56Å; F181-F252 HydrophobicContact CD2-CE1 4.15Å; F181-F252 AromaticContact CE2-CE1 3.87Å; F181-F252 HydrophobicContact CE2-CE1 3.87Å; I248-F252 PolarHBondContact O-N 3Å; I248-F252 VanDerWaalsContact O-N 3.07Å; M249-F252 PolarHBondContact O-N 3.11Å; G250-F252 PolarHBondContact O-N 3.47Å; F252-C254 PolarHBondContact O-N 3.38Å; F252-C255 PolarHBondContact O-N 2.91Å; F252-W256 AromaticContact CD2-CD1 3.73Å; F252-W256 HydrophobicContact CE1-CB 4.27Å; F252-W256 HydrophobicContact CE1-CG 4.28Å; F252-W256 AromaticContact CE2-CD1 3.33Å; F252-W256 HydrophobicContact CE2-CG 4.2Å; F252-W256 AromaticContact CE2-NE1 3.52Å; F252-W256 HydrophobicContact CZ-CB 4.34Å; F252-W256 AromaticContact CZ-CD1 3.45Å; F252-W256 VanDerWaalsContact CZ-CD1 3.45Å; F252-W256 AromaticContact CZ-CG 3.88Å; F252-W256 HydrophobicContact CZ-CG 3.88Å; F252-W256 AromaticContact CZ-NE1 3.91Å; F252-W256 PolarHBondContact O-N 3.32Å; F252-N299 VanDerWaalsContact CA-OD1 3.3Å; F252-N299 WeakPolarHBondContact CA-OD1 3.49Å; F252-N299 VanDerWaalsContact CD2-ND2 3.32Å; F252-N299 WeakPolarHBondContact CD2-ND2 3.48Å
253V81.7Confident76.6Confident33 Ų3338.6 Ų38.620%0.222%0.221CC..Hα-helixtrans-63.2-43.3-179.6174.70000110.4V185 M249 G250 V251 C255 W256 L257V185-V253 HydrophobicContact CG1-CG2 4.06Å; V185-V253 HydrophobicContact CG2-CG2 4.19Å; M249-V253 WeakPolarHBondContact O-CG2 3.43Å; M249-V253 PolarHBondContact O-N 3.36Å; M249-V253 VanDerWaalsContact O-N 3.09Å; G250-V253 PolarHBondContact O-N 2.92Å; V251-V253 PolarHBondContact O-N 3.2Å; V253-C255 VanDerWaalsContact C-N 3.31Å; V253-C255 PolarHBondContact O-N 3.46Å; V253-W256 PolarHBondContact O-N 2.94Å; V253-L257 HydrophobicContact CG1-CB 4.18Å; V253-L257 HydrophobicContact CG1-CD2 4.25Å; V253-L257 WeakPolarHBondContact O-CA 3.05Å; V253-L257 WeakPolarHBondContact O-CB 3.2Å; V253-L257 PolarHBondContact O-N 3.34Å
254C85.4Confident77.4Confident91 Ų9134.6 Ų34.662%0.61521%0.207SC*.Hα-helixtrans-63.2-36178.8-71.90000113G250 V251 F252 P258G250-C254 WeakPolarHBondContact O-CB 3.42Å; G250-C254 PolarHBondContact O-N 3.41Å; G250-C254 PolarHBondContact O-SG 3.27Å; V251-C254 PolarHBondContact O-N 3.27Å; F252-C254 PolarHBondContact O-N 3.38Å; C254-P258 VanDerWaalsContact O-CD 3.3Å; C254-P258 WeakPolarHBondContact O-CD 3.49Å
255C85.6Confident78.1Confident15 Ų1535.7 Ų35.710%0.10122%0.219CC..Hα-helixtrans-73.3-41.6178.4-73.20000112.6V251 F252 V253 I295 N299V251-C255 WeakPolarHBondContact O-CB 3.23Å; V251-C255 PolarHBondContact O-N 2.95Å; V251-C255 PolarHBondContact O-SG 3.45Å; V251-C255 VanDerWaalsContact O-SG 3.33Å; F252-C255 PolarHBondContact O-N 2.91Å; V253-C255 VanDerWaalsContact C-N 3.31Å; V253-C255 PolarHBondContact O-N 3.46Å; C255-I295 HydrophobicContact CB-CG2 4.3Å; C255-I295 WeakPolarHBondContact CB-O 3.07Å; C255-N299 HydrophobicContact CB-CB 3.98Å
256W84.2Confident78.4Confident9 Ų937.5 Ų37.53%0.03423%0.228CC..Hα-helixtrans-96.7-28.7-170.7-79.1100.2000114.9S85 F181 F252 V253 P258 F259 F260 G296 W297S85-W256 WeakPolarHBondContact OG-CH2 3.46Å; F181-W256 HydrophobicContact CD2-CB 4.19Å; F181-W256 HydrophobicContact CE2-CB 3.52Å; F181-W256 HydrophobicContact CZ-CB 4.25Å; F252-W256 AromaticContact CD2-CD1 3.73Å; F252-W256 HydrophobicContact CE1-CB 4.27Å; F252-W256 HydrophobicContact CE1-CG 4.28Å; F252-W256 AromaticContact CE2-CD1 3.33Å; F252-W256 HydrophobicContact CE2-CG 4.2Å; F252-W256 AromaticContact CE2-NE1 3.52Å; F252-W256 HydrophobicContact CZ-CB 4.34Å; F252-W256 AromaticContact CZ-CD1 3.45Å; F252-W256 VanDerWaalsContact CZ-CD1 3.45Å; F252-W256 AromaticContact CZ-CG 3.88Å; F252-W256 HydrophobicContact CZ-CG 3.88Å; F252-W256 AromaticContact CZ-NE1 3.91Å; F252-W256 PolarHBondContact O-N 3.32Å; V253-W256 PolarHBondContact O-N 2.94Å; W256-P258 VanDerWaalsContact C-CD 3.48Å; W256-F259 AromaticContact CE3-CD1 3.89Å; W256-F259 HydrophobicContact CE3-CD1 3.89Å; W256-F259 AromaticContact CZ3-CD1 3.93Å; W256-F259 HydrophobicContact CZ3-CD1 3.93Å; W256-F259 HydrophobicContact CZ3-CE1 4.21Å; W256-F259 PolarHBondContact O-N 3.43Å; W256-F260 HydrophobicContact CB-CD2 4.12Å; W256-F260 HydrophobicContact CB-CE2 4.18Å; W256-F260 HydrophobicContact CD2-CE2 4.16Å; W256-F260 HydrophobicContact CE3-CD2 4.12Å; W256-F260 AromaticContact CE3-CE2 3.49Å; W256-F260 HydrophobicContact CE3-CE2 3.49Å; W256-F260 VanDerWaalsContact CE3-CE2 3.49Å; W256-F260 HydrophobicContact CE3-CZ 4.31Å; W256-F260 HydrophobicContact CG-CE2 4.49Å; W256-F260 HydrophobicContact CZ3-CE2 4.2Å; W256-F260 WeakPolarHBondContact O-CD2 3.35Å; W256-F260 PolarHBondContact O-N 3.43Å; W256-F260 VanDerWaalsContact O-N 3.07Å; W256-G296 VanDerWaalsContact CE2-C 3.47Å; W256-G296 VanDerWaalsContact CE2-O 3.23Å; W256-G296 VanDerWaalsContact CZ2-C 3.45Å; W256-G296 WeakPolarHBondContact CZ2-O 3.46Å; W256-G296 PolarHBondContact NE1-O 3.29Å; W256-W297 AromaticContact CH2-CD1 3.67Å; W256-W297 AromaticContact CZ2-CD1 3.99Å
257L86.2Confident78.6Confident64 Ų6436.4 Ų36.434%0.33522%0.22SC..Hα-helixtrans-56.2-44.3-177.4179.766.3000113.4F181 V253 F259 F260 I261F181-L257 HydrophobicContact CE1-CB 4.49Å; F181-L257 HydrophobicContact CE1-CD1 3.83Å; F181-L257 HydrophobicContact CZ-CB 4.02Å; F181-L257 HydrophobicContact CZ-CD1 4.17Å; V253-L257 HydrophobicContact CG1-CB 4.18Å; V253-L257 HydrophobicContact CG1-CD2 4.25Å; V253-L257 WeakPolarHBondContact O-CA 3.05Å; V253-L257 WeakPolarHBondContact O-CB 3.2Å; V253-L257 PolarHBondContact O-N 3.34Å; L257-F259 VanDerWaalsContact C-N 3.31Å; L257-F259 PolarHBondContact O-N 3.32Å; L257-F260 PolarHBondContact O-N 3.48Å; L257-I261 HydrophobicContact CD1-CD1 3.9Å; L257-I261 HydrophobicContact CD1-CG1 4.05Å; L257-I261 HydrophobicContact CD2-CD1 4.41Å; L257-I261 HydrophobicContact CG-CD1 3.74Å; L257-I261 HydrophobicContact CG-CG1 4.33Å; L257-I261 VanDerWaalsContact O-CG1 3.27Å; L257-I261 WeakPolarHBondContact O-CG1 3.31Å; L257-I261 PolarHBondContact O-N 2.69Å
258P86.2Confident78.8Confident39 Ų3939.1 Ų39.125%0.25323%0.229SC..Hα-helixtrans-59-43.7178.8-24.235.5000112.2C254 W256 I261 L262 F292C254-P258 VanDerWaalsContact O-CD 3.3Å; C254-P258 WeakPolarHBondContact O-CD 3.49Å; W256-P258 VanDerWaalsContact C-CD 3.48Å; P258-I261 PolarHBondContact O-N 3.38Å; P258-L262 WeakPolarHBondContact O-CG 3.49Å; P258-L262 PolarHBondContact O-N 2.91Å; P258-L262 VanDerWaalsContact O-N 3.14Å; P258-F292 HydrophobicContact CB-CD1 3.35Å; P258-F292 HydrophobicContact CB-CE1 3.51Å; P258-F292 HydrophobicContact CB-CG 4.02Å; P258-F292 HydrophobicContact CB-CZ 4.28Å; P258-F292 HydrophobicContact CG-CD1 4.18Å; P258-F292 HydrophobicContact CG-CE1 4.19Å
259F83.4Confident78.8Confident23 Ų2340.3 Ų40.310%0.10124%0.238CC..Hα-helixtrans-61.8-49.2177.4168.3-100.8000111.9W256 L257 I261 L262 N263 F289 F292 V293W256-F259 AromaticContact CE3-CD1 3.89Å; W256-F259 HydrophobicContact CE3-CD1 3.89Å; W256-F259 AromaticContact CZ3-CD1 3.93Å; W256-F259 HydrophobicContact CZ3-CD1 3.93Å; W256-F259 HydrophobicContact CZ3-CE1 4.21Å; W256-F259 PolarHBondContact O-N 3.43Å; L257-F259 VanDerWaalsContact C-N 3.31Å; L257-F259 PolarHBondContact O-N 3.32Å; F259-I261 VanDerWaalsContact C-N 3.31Å; F259-I261 PolarHBondContact O-N 3.27Å; F259-L262 PolarHBondContact O-N 3.02Å; F259-L262 VanDerWaalsContact O-N 3.1Å; F259-N263 HydrophobicContact CE1-CB 4.49Å; F259-N263 HydrophobicContact CZ-CB 4.4Å; F259-N263 WeakPolarHBondContact O-CB 3.44Å; F259-N263 PolarHBondContact O-N 3.41Å; F259-F289 HydrophobicContact CD2-CE2 4.1Å; F259-F289 HydrophobicContact CD2-CZ 4.23Å; F259-F289 HydrophobicContact CE2-CE1 4.13Å; F259-F289 AromaticContact CE2-CE2 3.73Å; F259-F289 HydrophobicContact CE2-CE2 3.73Å; F259-F289 AromaticContact CE2-CZ 3.46Å; F259-F289 HydrophobicContact CE2-CZ 3.46Å; F259-F289 VanDerWaalsContact CE2-CZ 3.46Å; F259-F289 HydrophobicContact CZ-CZ 4.31Å; F259-F292 HydrophobicContact CB-CB 4.31Å; F259-V293 HydrophobicContact CD2-CB 4.4Å; F259-V293 HydrophobicContact CD2-CG2 3.47Å; F259-V293 VanDerWaalsContact CD2-CG2 3.47Å; F259-V293 HydrophobicContact CE2-CG2 3.36Å; F259-V293 HydrophobicContact CZ-CG2 4.42Å
260F82.6Confident78.3Confident19 Ų1943.9 Ų43.98%0.08326%0.262CS..Hα-helixtrans-66.8-31.3-178-81.6-74.5000113.3F181 Y182 W256 L257 C264F181-F260 HydrophobicContact CB-CD1 3.65Å; F181-F260 HydrophobicContact CB-CD2 3.67Å; F181-F260 HydrophobicContact CB-CE1 3.58Å; F181-F260 HydrophobicContact CB-CE2 3.61Å; F181-F260 HydrophobicContact CB-CG 3.7Å; F181-F260 HydrophobicContact CB-CZ 3.57Å; F181-F260 HydrophobicContact CD1-CB 3.65Å; F181-F260 HydrophobicContact CD1-CD1 4.28Å; F181-F260 AromaticContact CD1-CD2 3.66Å; F181-F260 HydrophobicContact CD1-CD2 3.66Å; F181-F260 HydrophobicContact CD1-CE2 4.4Å; F181-F260 AromaticContact CD1-CG 3.59Å; F181-F260 HydrophobicContact CD1-CG 3.59Å; F181-F260 AromaticContact CD2-CD2 3.22Å; F181-F260 HydrophobicContact CD2-CD2 3.22Å; F181-F260 AromaticContact CD2-CE2 3.3Å; F181-F260 HydrophobicContact CD2-CE2 3.3Å; F181-F260 HydrophobicContact CD2-CG 4.01Å; F181-F260 HydrophobicContact CD2-CZ 4.14Å; F181-F260 HydrophobicContact CE1-CB 3.93Å; F181-F260 HydrophobicContact CE1-CD2 4.06Å; F181-F260 HydrophobicContact CE1-CG 4.19Å; F181-F260 AromaticContact CE2-CD2 3.68Å; F181-F260 HydrophobicContact CE2-CD2 3.68Å; F181-F260 HydrophobicContact CE2-CE2 4.06Å; F181-F260 HydrophobicContact CG-CB 4.1Å; F181-F260 HydrophobicContact CG-CD1 4Å; F181-F260 AromaticContact CG-CD2 3.21Å; F181-F260 HydrophobicContact CG-CD2 3.21Å; F181-F260 HydrophobicContact CG-CE1 4.25Å; F181-F260 AromaticContact CG-CE2 3.52Å; F181-F260 HydrophobicContact CG-CE2 3.52Å; F181-F260 AromaticContact CG-CG 3.49Å; F181-F260 HydrophobicContact CG-CG 3.49Å; F181-F260 VanDerWaalsContact CG-CG 3.49Å; F181-F260 HydrophobicContact CG-CZ 4.04Å; F181-F260 HydrophobicContact CZ-CD2 4.07Å; Y182-F260 PolarHBondContact OH-O 3.18Å; W256-F260 HydrophobicContact CB-CD2 4.12Å; W256-F260 HydrophobicContact CB-CE2 4.18Å; W256-F260 HydrophobicContact CD2-CE2 4.16Å; W256-F260 HydrophobicContact CE3-CD2 4.12Å; W256-F260 AromaticContact CE3-CE2 3.49Å; W256-F260 HydrophobicContact CE3-CE2 3.49Å; W256-F260 VanDerWaalsContact CE3-CE2 3.49Å; W256-F260 HydrophobicContact CE3-CZ 4.31Å; W256-F260 HydrophobicContact CG-CE2 4.49Å; W256-F260 HydrophobicContact CZ3-CE2 4.2Å; W256-F260 WeakPolarHBondContact O-CD2 3.35Å; W256-F260 PolarHBondContact O-N 3.43Å; W256-F260 VanDerWaalsContact O-N 3.07Å; L257-F260 PolarHBondContact O-N 3.48Å; F260-C264 PolarHBondContact O-N 2.92Å; F260-C264 VanDerWaalsContact O-N 3.1Å; F260-C264 PolarHBondContact O-SG 2.97Å
261I84.3Confident77.4Confident86 Ų8644.5 Ų44.544%0.44127%0.268SS..Hα-helixtrans-62-47.5170.7-70168.6000110.1L257 P258 F259 C264 A265L257-I261 HydrophobicContact CD1-CD1 3.9Å; L257-I261 HydrophobicContact CD1-CG1 4.05Å; L257-I261 HydrophobicContact CD2-CD1 4.41Å; L257-I261 HydrophobicContact CG-CD1 3.74Å; L257-I261 HydrophobicContact CG-CG1 4.33Å; L257-I261 VanDerWaalsContact O-CG1 3.27Å; L257-I261 WeakPolarHBondContact O-CG1 3.31Å; L257-I261 PolarHBondContact O-N 2.69Å; P258-I261 PolarHBondContact O-N 3.38Å; F259-I261 VanDerWaalsContact C-N 3.31Å; F259-I261 PolarHBondContact O-N 3.27Å; I261-C264 PolarHBondContact O-N 2.89Å; I261-A265 WeakPolarHBondContact O-CB 3.31Å; I261-A265 PolarHBondContact O-N 2.73Å
262L77.8Confident75.9Confident23 Ų2350 Ų5012%0.1231%0.305CS..Hα-helixtrans-65.1-42.2178.3-65.9-178.3000112.2P258 F259 C264 A265 L266 V284 F289 F292P258-L262 WeakPolarHBondContact O-CG 3.49Å; P258-L262 PolarHBondContact O-N 2.91Å; P258-L262 VanDerWaalsContact O-N 3.14Å; F259-L262 PolarHBondContact O-N 3.02Å; F259-L262 VanDerWaalsContact O-N 3.1Å; L262-C264 PolarHBondContact O-N 3.46Å; L262-A265 PolarHBondContact O-N 3.01Å; L262-L266 WeakPolarHBondContact O-CB 3.5Å; L262-L266 VanDerWaalsContact O-CG 3.28Å; L262-L266 WeakPolarHBondContact O-CG 3.4Å; L262-L266 PolarHBondContact O-N 3.36Å; L262-V284 HydrophobicContact CD1-CG1 4.17Å; L262-V284 HydrophobicContact CD2-CB 4.29Å; L262-V284 HydrophobicContact CD2-CG1 4.47Å; L262-V284 HydrophobicContact CD2-CG2 3.6Å; L262-F289 HydrophobicContact CB-CD2 4.22Å; L262-F289 HydrophobicContact CB-CE2 4.49Å; L262-F292 HydrophobicContact CD1-CB 4.35Å; L262-F292 HydrophobicContact CD1-CD2 3.31Å; L262-F292 HydrophobicContact CD1-CE2 3.86Å; L262-F292 HydrophobicContact CD1-CG 4.11Å
263N78Confident74.5Confident21 Ų2153.2 Ų53.211%0.11234%0.339CS..Hα-helixtrans-59.8-34.7177.6-168.458.4000112.3S177 F259 P267S177-N263 PolarHBondContact OG-ND2 3.44Å; F259-N263 HydrophobicContact CE1-CB 4.49Å; F259-N263 HydrophobicContact CZ-CB 4.4Å; F259-N263 WeakPolarHBondContact O-CB 3.44Å; F259-N263 PolarHBondContact O-N 3.41Å; N263-P267 WeakPolarHBondContact O-CD 3.26Å
264C79.1Confident72.8Confident27 Ų2754.2 Ų54.218%0.18235%0.351CS..Hα-helixtrans-77.6-30.9173.8-65.20000113.3F260 I261 L262 F268F260-C264 PolarHBondContact O-N 2.92Å; F260-C264 VanDerWaalsContact O-N 3.1Å; F260-C264 PolarHBondContact O-SG 2.97Å; I261-C264 PolarHBondContact O-N 2.89Å; L262-C264 PolarHBondContact O-N 3.46Å; C264-F268 WeakPolarHBondContact O-CD2 3.4Å; C264-F268 VanDerWaalsContact O-CE2 3.26Å; C264-F268 WeakPolarHBondContact O-CE2 3.28Å
265A75.6Confident70.6Confident49 Ų4956.2 Ų56.241%0.40536%0.363SS..Hα-helixtrans-85.4-37.5-174.400000113.6I261 L262 P267 F268I261-A265 WeakPolarHBondContact O-CB 3.31Å; I261-A265 PolarHBondContact O-N 2.73Å; L262-A265 PolarHBondContact O-N 3.01Å; A265-P267 VanDerWaalsContact C-CD 3.48Å; A265-F268 PolarHBondContact O-N 2.97Å
266L70.6Confident68.8Low56 Ų5659.1 Ų59.129%0.29340%0.395SS..G310 helixtrans-55.4-40.1-177-76.6172.7000114.2L262 F268 C269 F289L262-L266 WeakPolarHBondContact O-CB 3.5Å; L262-L266 VanDerWaalsContact O-CG 3.28Å; L262-L266 WeakPolarHBondContact O-CG 3.4Å; L262-L266 PolarHBondContact O-N 3.36Å; L266-F268 PolarHBondContact O-N 3.25Å; L266-F268 VanDerWaalsContact O-N 3.08Å; L266-C269 WeakPolarHBondContact O-CB 3.24Å; L266-C269 PolarHBondContact O-N 3Å; L266-F289 HydrophobicContact CD1-CD2 3.38Å; L266-F289 HydrophobicContact CD1-CE2 3.45Å; L266-F289 VanDerWaalsContact CD1-CE2 3.45Å; L266-F289 HydrophobicContact CD1-CG 4.19Å; L266-F289 HydrophobicContact CD1-CZ 4.31Å
267P68.8Low66.9Low36 Ų3661.4 Ų61.423%0.23442%0.416CS..G310 helixtrans-64.5-11.9177.3-25.737.3000115.1R170 A173 N263 A265R170-P267 HydrophobicContact CB-CB 4.29Å; R170-P267 WeakPolarHBondContact CD-O 3.34Å; R170-P267 HydrophobicContact CG-CB 3.43Å; R170-P267 VanDerWaalsContact CG-CB 3.43Å; A173-P267 HydrophobicContact CB-CG 3.78Å; N263-P267 WeakPolarHBondContact O-CD 3.26Å; A265-P267 VanDerWaalsContact C-CD 3.48Å
268F70.6Confident64.7Low130 Ų13066.9 Ų66.957%0.5744%0.439SS*.G310 helixtrans-100.72.2176.9-61.5-83.6000113.1I174 C264 A265 L266I174-F268 HydrophobicContact CD1-CE2 3.87Å; I174-F268 HydrophobicContact CD1-CZ 3.66Å; I174-F268 HydrophobicContact CG1-CE2 4.47Å; C264-F268 WeakPolarHBondContact O-CD2 3.4Å; C264-F268 VanDerWaalsContact O-CE2 3.26Å; C264-F268 WeakPolarHBondContact O-CE2 3.28Å; A265-F268 PolarHBondContact O-N 2.97Å; L266-F268 PolarHBondContact O-N 3.25Å; L266-F268 VanDerWaalsContact O-N 3.08Å
269C68.6Low62.8Low33 Ų3377.1 Ų77.122%0.22347%0.473CS..SBendtrans-73.1134.1174.6-98.60000111.8L266 G271 C282 C283L266-C269 WeakPolarHBondContact O-CB 3.24Å; L266-C269 PolarHBondContact O-N 3Å; C269-G271 PolarHBondContact O-N 3.47Å; C269-C282 PolarHBondContact SG-O 3.26Å; C269-C282 VanDerWaalsContact SG-O 3.33Å; C269-C283 HydrophobicContact CB-CB 4.13Å; C269-C283 WeakPolarHBondContact CB-SG 3.47Å; C269-C283 WeakPolarHBondContact SG-CA 3.26Å; C269-C283 WeakPolarHBondContact SG-CB 3.21Å; C269-C283 CovalentContact SG-SG 2.05Å; C269-C283 PolarHBondContact SG-SG 3.17Å
270P59.8Low60.8Low91 Ų9178 Ų7859%0.59149%0.488SS*.PPolyproline II helixtrans-61.5131.7173.6-17.228.8000111.1
271G56.3Low59.1Low48 Ų4883.6 Ų83.650%0.49553%0.527SS..PPolyproline II helixtrans-70.7164.5177.600000113.5C269 G273 A274C269-G271 PolarHBondContact O-N 3.47Å; G271-G273 PolarHBondContact O-N 3.44Å; G271-A274 PolarHBondContact O-N 2.98Å
272P49.6Very low57.5Low153 Ų15384.2 Ų84.299%0.99454%0.537SS*.THydrogen-bonded Turntrans-66.67.2-17425-33.1000116.1
273G49.4Very low56.7Low72 Ų7286.2 Ų86.274%0.74255%0.553SS**THydrogen-bonded Turntrans-115.74.8-176.700000115.9G271 P275G271-G273 PolarHBondContact O-N 3.44Å; G273-P275 WeakPolarHBondContact O-CD 3.34Å
274A46.2Very low56.1Low53 Ų5387.5 Ų87.544%0.43856%0.561SS.*  trans-82.3113.6179.100000111G271 G276 A277G271-A274 PolarHBondContact O-N 2.98Å; A274-G276 PolarHBondContact O-N 2.97Å; A274-A277 HydrophobicContact CB-CB 4.27Å; A274-A277 PolarHBondContact O-N 3.06Å
275P40.2Very low55.7Low134 Ų13489.7 Ų89.787%0.8758%0.577SS**THydrogen-bonded Turntrans-69.6120.5178.622.7-20.6000109.4G273G273-P275 WeakPolarHBondContact O-CD 3.34Å
276G47.7Very low55.4Low76 Ų7693.5 Ų93.578%0.78459%0.586SS**THydrogen-bonded Turntrans100.3-0.3177.100000116.2A274 H278A274-G276 PolarHBondContact O-N 2.97Å; G276-H278 PolarHBondContact O-N 3.11Å
277A43.5Very low55.6Low56 Ų5696 Ų9646%0.46360%0.595SS.*  trans-76.596.5170.500000109.6A274 R279A274-A277 HydrophobicContact CB-CB 4.27Å; A274-A277 PolarHBondContact O-N 3.06Å; A277-R279 PolarHBondContact O-N 3.09Å
278H41.3Very low56Low179 Ų17997.1 Ų97.183%0.82960%0.601SS**  trans-41.3128151.3-80.7-88.3000107.3G276 G280G276-H278 PolarHBondContact O-N 3.11Å; H278-G280 VanDerWaalsContact C-N 3.25Å; H278-G280 PolarHBondContact O-N 3.36Å
279R45.7Very low56.2Low255 Ų25592.1 Ų92.196%0.96258%0.579SS**  trans-47.996.2171.1-78.8-176.9175.5128.9-2.3107.8A277A277-R279 PolarHBondContact O-N 3.09Å
280G42Very low56.7Low41 Ų4191.5 Ų91.542%0.42357%0.574SS.*  trans-63.6153.7-178.900000108.7H278 C282H278-G280 VanDerWaalsContact C-N 3.25Å; H278-G280 PolarHBondContact O-N 3.36Å; G280-C282 PolarHBondContact O-N 3.26Å
281P45Very low57.8Low137 Ų13791.1 Ų91.189%0.8957%0.569SS**THydrogen-bonded Turntrans-63.1-7.1-177.4-15.828.7000114.3
282C51.4Low59.2Low98 Ų9891.8 Ų91.866%0.66256%0.558SS**THydrogen-bonded Turntrans-97.3-0.5-162.5-61.50000115.2C269 G280C269-C282 PolarHBondContact SG-O 3.26Å; C269-C282 VanDerWaalsContact SG-O 3.33Å; G280-C282 PolarHBondContact O-N 3.26Å
283C61.5Low60.8Low66 Ų6684.8 Ų84.845%0.44651%0.513SS..  trans-104.5103.3-177.9-55.20000110.7C269C269-C283 HydrophobicContact CB-CB 4.13Å; C269-C283 WeakPolarHBondContact CB-SG 3.47Å; C269-C283 WeakPolarHBondContact SG-CA 3.26Å; C269-C283 WeakPolarHBondContact SG-CB 3.21Å; C269-C283 CovalentContact SG-SG 2.05Å; C269-C283 PolarHBondContact SG-SG 3.17Å
284V65.5Low62.7Low48 Ų4882.4 Ų82.429%0.29148%0.482SS..  trans-73.9134.6-174.4176.40000109.9L262 T288L262-V284 HydrophobicContact CD1-CG1 4.17Å; L262-V284 HydrophobicContact CD2-CB 4.29Å; L262-V284 HydrophobicContact CD2-CG1 4.47Å; L262-V284 HydrophobicContact CD2-CG2 3.6Å; V284-T288 HydrophobicContact CG1-CG2 3.36Å
285S71.4Confident64.6Low72 Ų7282.9 Ų82.950%0.50348%0.476SS..  trans-58.2144.4175.4175.20000111.1K287 T288 F289S285-K287 PolarHBondContact O-N 3.05Å; S285-K287 VanDerWaalsContact O-N 3.11Å; S285-K287 PolarHBondContact OG-N 2.88Å; S285-T288 WeakPolarHBondContact O-CA 3.1Å; S285-T288 WeakPolarHBondContact O-CB 3.23Å; S285-T288 PolarHBondContact O-N 3.24Å; S285-F289 PolarHBondContact O-N 3.47Å; S285-F289 VanDerWaalsContact O-N 3.09Å
286E68.2Low66.8Low130 Ų13076.5 Ų76.561%0.60744%0.435SS*.Hα-helixtrans-49.3-39174.8-69.1177.8-174.600112T288 F289 D290E286-T288 VanDerWaalsContact C-N 3.34Å; E286-T288 PolarHBondContact O-N 2.83Å; E286-F289 WeakPolarHBondContact O-CB 3.35Å; E286-F289 PolarHBondContact O-N 3.18Å; E286-D290 PolarHBondContact O-N 3.26Å
287K74Confident68.7Low108 Ų10873 Ų7347%0.4740%0.398SS..Hα-helixtrans-65-35.5177.8-64.3-56.9178.8-166.10113.6E63 S285 V291E63-K287 IonicContact OE1-NZ 2.72Å; E63-K287 PolarHBondContact OE1-NZ 2.87Å; E63-K287 IonicContact OE2-NZ 3.97Å; S285-K287 PolarHBondContact O-N 3.05Å; S285-K287 VanDerWaalsContact O-N 3.11Å; S285-K287 PolarHBondContact OG-N 2.88Å; K287-V291 VanDerWaalsContact O-CG2 3.22Å; K287-V291 WeakPolarHBondContact O-CG2 3.43Å; K287-V291 PolarHBondContact O-N 2.9Å; K287-V291 VanDerWaalsContact O-N 3.07Å
288T77.8Confident70.8Confident60 Ų6071.8 Ų71.837%0.36839%0.386SS..Hα-helixtrans-72.6-37.6176.3-59.30000110.6V284 S285 E286 V291 F292V284-T288 HydrophobicContact CG1-CG2 3.36Å; S285-T288 WeakPolarHBondContact O-CA 3.1Å; S285-T288 WeakPolarHBondContact O-CB 3.23Å; S285-T288 PolarHBondContact O-N 3.24Å; E286-T288 VanDerWaalsContact C-N 3.34Å; E286-T288 PolarHBondContact O-N 2.83Å; T288-V291 PolarHBondContact O-N 3.38Å; T288-F292 HydrophobicContact CG2-CD2 3.89Å; T288-F292 HydrophobicContact CG2-CE2 3.53Å; T288-F292 WeakPolarHBondContact O-CD2 3.06Å; T288-F292 PolarHBondContact O-N 3.36Å; T288-F292 VanDerWaalsContact O-N 3.17Å
289F76.3Confident73Confident25 Ų2563.2 Ų63.211%0.1135%0.347CS..Hα-helixtrans-61.1-49.2173.2-175.9-99.7000111.5F259 L262 L266 S285 E286 V291 F292 V293F259-F289 HydrophobicContact CD2-CE2 4.1Å; F259-F289 HydrophobicContact CD2-CZ 4.23Å; F259-F289 HydrophobicContact CE2-CE1 4.13Å; F259-F289 AromaticContact CE2-CE2 3.73Å; F259-F289 HydrophobicContact CE2-CE2 3.73Å; F259-F289 AromaticContact CE2-CZ 3.46Å; F259-F289 HydrophobicContact CE2-CZ 3.46Å; F259-F289 VanDerWaalsContact CE2-CZ 3.46Å; F259-F289 HydrophobicContact CZ-CZ 4.31Å; L262-F289 HydrophobicContact CB-CD2 4.22Å; L262-F289 HydrophobicContact CB-CE2 4.49Å; L266-F289 HydrophobicContact CD1-CD2 3.38Å; L266-F289 HydrophobicContact CD1-CE2 3.45Å; L266-F289 VanDerWaalsContact CD1-CE2 3.45Å; L266-F289 HydrophobicContact CD1-CG 4.19Å; L266-F289 HydrophobicContact CD1-CZ 4.31Å; S285-F289 PolarHBondContact O-N 3.47Å; S285-F289 VanDerWaalsContact O-N 3.09Å; E286-F289 WeakPolarHBondContact O-CB 3.35Å; E286-F289 PolarHBondContact O-N 3.18Å; F289-V291 VanDerWaalsContact C-N 3.3Å; F289-V291 PolarHBondContact O-N 2.9Å; F289-F292 PolarHBondContact O-N 3.31Å; F289-F292 VanDerWaalsContact O-N 3.1Å; F289-V293 HydrophobicContact CD1-CG2 4.04Å; F289-V293 HydrophobicContact CE1-CG2 3.86Å; F289-V293 HydrophobicContact CZ-CG2 4.35Å; F289-V293 WeakPolarHBondContact O-CG2 3.07Å; F289-V293 PolarHBondContact O-N 3.09Å
290D77.6Confident75Confident20 Ų2051.2 Ų51.211%0.10730%0.301CS..Hα-helixtrans-57.8-41176.8-74.6-31.8000112.3K59 E286 F292 V293 W294K59-D290 VanDerWaalsContact CE-OD1 3.22Å; K59-D290 WeakPolarHBondContact CE-OD1 3.35Å; K59-D290 IonicContact NZ-OD1 3.2Å; K59-D290 PolarHBondContact NZ-OD1 2.91Å; K59-D290 IonicContact NZ-OD2 2.7Å; E286-D290 PolarHBondContact O-N 3.26Å; D290-F292 PolarHBondContact O-N 3.02Å; D290-V293 WeakPolarHBondContact O-CB 3.46Å; D290-V293 PolarHBondContact O-N 2.87Å; D290-W294 PolarHBondContact O-N 2.79Å
291V84.4Confident77.2Confident83 Ų8349.6 Ų49.650%0.50328%0.284SS..Hα-helixtrans-60.1-44.8175.7166.40000111.3K287 T288 F289 W294 I295K287-V291 VanDerWaalsContact O-CG2 3.22Å; K287-V291 WeakPolarHBondContact O-CG2 3.43Å; K287-V291 PolarHBondContact O-N 2.9Å; K287-V291 VanDerWaalsContact O-N 3.07Å; T288-V291 PolarHBondContact O-N 3.38Å; F289-V291 VanDerWaalsContact C-N 3.3Å; F289-V291 PolarHBondContact O-N 2.9Å; V291-W294 PolarHBondContact O-N 3.13Å; V291-I295 HydrophobicContact CG1-CD1 3.91Å; V291-I295 VanDerWaalsContact O-CG1 3.3Å; V291-I295 WeakPolarHBondContact O-CG1 3.39Å; V291-I295 PolarHBondContact O-N 2.97Å
292F84.8Confident79.2Confident61 Ų6146.1 Ų46.127%0.26826%0.258SS..Hα-helixtrans-70.5-32.2179.2-73.7-61.1000113.2P258 F259 L262 T288 F289 D290 I295 G296P258-F292 HydrophobicContact CB-CD1 3.35Å; P258-F292 HydrophobicContact CB-CE1 3.51Å; P258-F292 HydrophobicContact CB-CG 4.02Å; P258-F292 HydrophobicContact CB-CZ 4.28Å; P258-F292 HydrophobicContact CG-CD1 4.18Å; P258-F292 HydrophobicContact CG-CE1 4.19Å; F259-F292 HydrophobicContact CB-CB 4.31Å; L262-F292 HydrophobicContact CD1-CB 4.35Å; L262-F292 HydrophobicContact CD1-CD2 3.31Å; L262-F292 HydrophobicContact CD1-CE2 3.86Å; L262-F292 HydrophobicContact CD1-CG 4.11Å; T288-F292 HydrophobicContact CG2-CD2 3.89Å; T288-F292 HydrophobicContact CG2-CE2 3.53Å; T288-F292 WeakPolarHBondContact O-CD2 3.06Å; T288-F292 PolarHBondContact O-N 3.36Å; T288-F292 VanDerWaalsContact O-N 3.17Å; F289-F292 PolarHBondContact O-N 3.31Å; F289-F292 VanDerWaalsContact O-N 3.1Å; D290-F292 PolarHBondContact O-N 3.02Å; F292-I295 HydrophobicContact CD1-CD1 3.88Å; F292-I295 HydrophobicContact CE1-CD1 4.24Å; F292-I295 PolarHBondContact O-N 3.02Å; F292-G296 PolarHBondContact O-N 3.4Å
293V83.1Confident80.8Confident7 Ų741.5 Ų41.54%0.04223%0.226CC..Hα-helixtrans-59.5-49.1169.4174.30000110.4F259 F289 D290 I295 G296 W297F259-V293 HydrophobicContact CD2-CB 4.4Å; F259-V293 HydrophobicContact CD2-CG2 3.47Å; F259-V293 VanDerWaalsContact CD2-CG2 3.47Å; F259-V293 HydrophobicContact CE2-CG2 3.36Å; F259-V293 HydrophobicContact CZ-CG2 4.42Å; F289-V293 HydrophobicContact CD1-CG2 4.04Å; F289-V293 HydrophobicContact CE1-CG2 3.86Å; F289-V293 HydrophobicContact CZ-CG2 4.35Å; F289-V293 WeakPolarHBondContact O-CG2 3.07Å; F289-V293 PolarHBondContact O-N 3.09Å; D290-V293 WeakPolarHBondContact O-CB 3.46Å; D290-V293 PolarHBondContact O-N 2.87Å; V293-I295 VanDerWaalsContact C-N 3.32Å; V293-I295 PolarHBondContact O-N 2.03Å; V293-G296 WeakPolarHBondContact O-CA 3.37Å; V293-G296 PolarHBondContact O-N 3.44Å; V293-G296 VanDerWaalsContact O-N 3.07Å; V293-W297 HydrophobicContact CG1-CD2 3.85Å; V293-W297 HydrophobicContact CG1-CE3 3.88Å; V293-W297 HydrophobicContact CG1-CH2 3.25Å; V293-W297 HydrophobicContact CG1-CZ2 3.23Å; V293-W297 HydrophobicContact CG1-CZ3 3.6Å; V293-W297 PolarHBondContact O-N 3.37Å
294W88.7Confident82Confident22 Ų2238.8 Ų38.88%0.08321%0.208CC..Hα-helixtrans-63.2-35.9177.4-83.3108.1000113.1L8 L11 M56 K59 A60 D290 V291 G296 W297 S298L8-W294 HydrophobicContact CB-CH2 4.28Å; L8-W294 HydrophobicContact CD1-CH2 4.2Å; L8-W294 HydrophobicContact CD1-CZ2 3.68Å; L8-W294 HydrophobicContact CD2-CD2 3.59Å; L8-W294 HydrophobicContact CD2-CE3 3.63Å; L8-W294 HydrophobicContact CD2-CG 4.31Å; L8-W294 HydrophobicContact CD2-CH2 3.75Å; L8-W294 HydrophobicContact CD2-CZ2 3.69Å; L8-W294 HydrophobicContact CD2-CZ3 3.71Å; L8-W294 HydrophobicContact CG-CH2 4.28Å; L8-W294 HydrophobicContact CG-CZ2 4.17Å; L11-W294 HydrophobicContact CD2-CE3 3.94Å; L11-W294 HydrophobicContact CD2-CZ3 4.1Å; M56-W294 HydrophobicContact CB-CH2 4.05Å; M56-W294 HydrophobicContact CB-CZ3 4.11Å; M56-W294 HydrophobicContact CG-CH2 4.42Å; M56-W294 HydrophobicContact CG-CZ3 4.01Å; K59-W294 HydrophobicContact CB-CZ2 4.34Å; K59-W294 HydrophobicContact CG-CZ2 4.18Å; A60-W294 HydrophobicContact CB-CH2 3.96Å; A60-W294 HydrophobicContact CB-CZ2 3.99Å; D290-W294 PolarHBondContact O-N 2.79Å; V291-W294 PolarHBondContact O-N 3.13Å; W294-G296 VanDerWaalsContact C-N 3.33Å; W294-W297 AromaticContact CD2-CE3 3.89Å; W294-W297 HydrophobicContact CD2-CE3 3.89Å; W294-W297 HydrophobicContact CD2-CZ3 4.08Å; W294-W297 AromaticContact CE2-CZ3 3.94Å; W294-W297 AromaticContact CE3-CE3 3.8Å; W294-W297 HydrophobicContact CE3-CE3 3.8Å; W294-W297 HydrophobicContact CE3-CZ3 4.35Å; W294-W297 HydrophobicContact CG-CE3 4.43Å; W294-W297 HydrophobicContact CH2-CE3 4.34Å; W294-W297 HydrophobicContact CH2-CZ3 4.35Å; W294-W297 HydrophobicContact CZ2-CE3 4.43Å; W294-W297 HydrophobicContact CZ2-CZ3 4.08Å; W294-W297 HydrophobicContact CZ3-CE3 4.04Å; W294-W297 HydrophobicContact CZ3-CZ3 4.48Å; W294-W297 PolarHBondContact O-N 2.9Å; W294-S298 WeakPolarHBondContact O-CB 3.4Å; W294-S298 PolarHBondContact O-N 3.47Å; W294-S298 PolarHBondContact O-OG 2.97Å
295I87.1Confident82.8Confident63 Ų6339.4 Ų39.432%0.32321%0.212SC..Hα-helixtrans-63.3-41.2172.3-70167.6000110.5C255 V291 F292 V293 S298C255-I295 HydrophobicContact CB-CG2 4.3Å; C255-I295 WeakPolarHBondContact CB-O 3.07Å; V291-I295 HydrophobicContact CG1-CD1 3.91Å; V291-I295 VanDerWaalsContact O-CG1 3.3Å; V291-I295 WeakPolarHBondContact O-CG1 3.39Å; V291-I295 PolarHBondContact O-N 2.97Å; F292-I295 HydrophobicContact CD1-CD1 3.88Å; F292-I295 HydrophobicContact CE1-CD1 4.24Å; F292-I295 PolarHBondContact O-N 3.02Å; V293-I295 VanDerWaalsContact C-N 3.32Å; V293-I295 PolarHBondContact O-N 2.03Å; I295-S298 WeakPolarHBondContact O-CB 3.42Å; I295-S298 PolarHBondContact O-N 2.96Å
296G86.6Confident83.2Confident0 Ų036.4 Ų36.40%019%0.19CC..Hα-helixtrans-57-55.3173.200000111.7W256 F292 V293 W294 S298 N299W256-G296 VanDerWaalsContact CE2-C 3.47Å; W256-G296 VanDerWaalsContact CE2-O 3.23Å; W256-G296 VanDerWaalsContact CZ2-C 3.45Å; W256-G296 WeakPolarHBondContact CZ2-O 3.46Å; W256-G296 PolarHBondContact NE1-O 3.29Å; F292-G296 PolarHBondContact O-N 3.4Å; V293-G296 WeakPolarHBondContact O-CA 3.37Å; V293-G296 PolarHBondContact O-N 3.44Å; V293-G296 VanDerWaalsContact O-N 3.07Å; W294-G296 VanDerWaalsContact C-N 3.33Å; G296-S298 VanDerWaalsContact C-N 3.27Å; G296-S298 PolarHBondContact O-N 3.05Å; G296-N299 WeakPolarHBondContact O-CB 3.49Å; G296-N299 PolarHBondContact O-N 3.4Å
297W87.9Confident83.9Confident1 Ų130.8 Ų30.80%0.00416%0.163CC..Hα-helixtrans-65.9-27.4179.5-61.1-33.9000113.9V51 V55 M56 K59 W77 D81 W256 V293 W294 N299 S300V51-W297 HydrophobicContact CG1-CB 4.26Å; V51-W297 HydrophobicContact CG1-CG 4.13Å; V55-W297 HydrophobicContact CG1-CD2 4.27Å; V55-W297 HydrophobicContact CG1-CH2 3.92Å; V55-W297 HydrophobicContact CG1-CZ2 3.33Å; M56-W297 HydrophobicContact CE-CB 3.62Å; M56-W297 VanDerWaalsContact CE-O 3.23Å; M56-W297 WeakPolarHBondContact CE-O 3.3Å; M56-W297 HydrophobicContact CG-CB 4.44Å; M56-W297 HydrophobicContact CG-CE3 4.38Å; K59-W297 HydrophobicContact CB-CH2 3.75Å; K59-W297 HydrophobicContact CB-CZ3 3.79Å; K59-W297 HydrophobicContact CG-CH2 3.65Å; K59-W297 HydrophobicContact CG-CZ3 3.64Å; W77-W297 HydrophobicContact CH2-CH2 4.28Å; W77-W297 HydrophobicContact CH2-CZ2 4.44Å; W77-W297 AromaticContact CZ2-CH2 3.76Å; W77-W297 HydrophobicContact CZ2-CH2 3.76Å; W77-W297 HydrophobicContact CZ2-CZ2 4.01Å; D81-W297 PolarHBondContact OD1-NE1 3.29Å; W256-W297 AromaticContact CH2-CD1 3.67Å; W256-W297 AromaticContact CZ2-CD1 3.99Å; V293-W297 HydrophobicContact CG1-CD2 3.85Å; V293-W297 HydrophobicContact CG1-CE3 3.88Å; V293-W297 HydrophobicContact CG1-CH2 3.25Å; V293-W297 HydrophobicContact CG1-CZ2 3.23Å; V293-W297 HydrophobicContact CG1-CZ3 3.6Å; V293-W297 PolarHBondContact O-N 3.37Å; W294-W297 AromaticContact CD2-CE3 3.89Å; W294-W297 HydrophobicContact CD2-CE3 3.89Å; W294-W297 HydrophobicContact CD2-CZ3 4.08Å; W294-W297 AromaticContact CE2-CZ3 3.94Å; W294-W297 AromaticContact CE3-CE3 3.8Å; W294-W297 HydrophobicContact CE3-CE3 3.8Å; W294-W297 HydrophobicContact CE3-CZ3 4.35Å; W294-W297 HydrophobicContact CG-CE3 4.43Å; W294-W297 HydrophobicContact CH2-CE3 4.34Å; W294-W297 HydrophobicContact CH2-CZ3 4.35Å; W294-W297 HydrophobicContact CZ2-CE3 4.43Å; W294-W297 HydrophobicContact CZ2-CZ3 4.08Å; W294-W297 HydrophobicContact CZ3-CE3 4.04Å; W294-W297 HydrophobicContact CZ3-CZ3 4.48Å; W294-W297 PolarHBondContact O-N 2.9Å; W297-N299 PolarHBondContact O-N 2.97Å; W297-N299 VanDerWaalsContact O-N 3.13Å; W297-S300 WeakPolarHBondContact O-CB 3.41Å; W297-S300 PolarHBondContact O-N 2.69Å
298S87.1Confident84.3Confident31 Ų3127 Ų2722%0.21715%0.152CC..Hα-helixtrans-60-21172.7-61.30000112.4W294 I295 G296 S300 S301 L302W294-S298 WeakPolarHBondContact O-CB 3.4Å; W294-S298 PolarHBondContact O-N 3.47Å; W294-S298 PolarHBondContact O-OG 2.97Å; I295-S298 WeakPolarHBondContact O-CB 3.42Å; I295-S298 PolarHBondContact O-N 2.96Å; G296-S298 VanDerWaalsContact C-N 3.27Å; G296-S298 PolarHBondContact O-N 3.05Å; S298-S300 VanDerWaalsContact C-N 3.26Å; S298-S300 PolarHBondContact O-N 2.98Å; S298-S301 WeakPolarHBondContact O-CB 3.35Å; S298-S301 PolarHBondContact O-N 3.33Å; S298-S301 PolarHBondContact O-OG 2.94Å; S298-L302 WeakPolarHBondContact O-CG 3.27Å; S298-L302 PolarHBondContact O-N 3.39Å
299N87.5Confident84.2Confident0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-54.9-42.7171.3177.977.1000112.5F252 C255 G296 W297 S301 L302 N303F252-N299 VanDerWaalsContact CA-OD1 3.3Å; F252-N299 WeakPolarHBondContact CA-OD1 3.49Å; F252-N299 VanDerWaalsContact CD2-ND2 3.32Å; F252-N299 WeakPolarHBondContact CD2-ND2 3.48Å; C255-N299 HydrophobicContact CB-CB 3.98Å; G296-N299 WeakPolarHBondContact O-CB 3.49Å; G296-N299 PolarHBondContact O-N 3.4Å; W297-N299 PolarHBondContact O-N 2.97Å; W297-N299 VanDerWaalsContact O-N 3.13Å; N299-S301 PolarHBondContact O-N 3.3Å; N299-S301 VanDerWaalsContact O-N 3.15Å; N299-L302 PolarHBondContact O-N 3.47Å; N299-N303 PolarHBondContact O-N 3.3Å
300S87.6Confident84.3Confident2 Ų229.6 Ų29.61%0.01416%0.161CC..Hα-helixtrans-61-24.3178.1-66.80000112.7N19 D48 W297 S298N19-S300 PolarHBondContact ND2-O 3.43Å; D48-S300 VanDerWaalsContact OD1-CB 3.29Å; D48-S300 WeakPolarHBondContact OD1-CB 3.25Å; D48-S300 PolarHBondContact OD1-OG 3.02Å; W297-S300 WeakPolarHBondContact O-CB 3.41Å; W297-S300 PolarHBondContact O-N 2.69Å; S298-S300 VanDerWaalsContact C-N 3.26Å; S298-S300 PolarHBondContact O-N 2.98Å
301S88.5Confident84.1Confident8 Ų831.1 Ų31.16%0.05618%0.175CC..Hα-helixtrans-85.9-19.3178.498.10000113L11 W14 T15 S298 N299L11-S301 WeakPolarHBondContact CD1-OG 3.38Å; W14-S301 PolarHBondContact NE1-O 3.45Å; T15-S301 WeakPolarHBondContact OG1-CB 3.43Å; S298-S301 WeakPolarHBondContact O-CB 3.35Å; S298-S301 PolarHBondContact O-N 3.33Å; S298-S301 PolarHBondContact O-OG 2.94Å; N299-S301 PolarHBondContact O-N 3.3Å; N299-S301 VanDerWaalsContact O-N 3.15Å
302L86.7Confident84Confident64 Ų6429.8 Ų29.834%0.33517%0.166SC..Hα-helixtrans-87.1-28.6179.5-66.3173.3000112.3V251 S298 N299 V305 I306V251-L302 HydrophobicContact CG1-CB 4.25Å; V251-L302 HydrophobicContact CG1-CD1 3.46Å; V251-L302 VanDerWaalsContact CG1-CD1 3.46Å; V251-L302 HydrophobicContact CG1-CG 4.49Å; S298-L302 WeakPolarHBondContact O-CG 3.27Å; S298-L302 PolarHBondContact O-N 3.39Å; N299-L302 PolarHBondContact O-N 3.47Å; L302-V305 WeakPolarHBondContact O-CB 3.23Å; L302-V305 PolarHBondContact O-N 3.45Å; L302-I306 HydrophobicContact CB-CD1 4.43Å; L302-I306 WeakPolarHBondContact O-CG1 3.44Å; L302-I306 PolarHBondContact O-N 3.39Å; L302-I306 VanDerWaalsContact O-N 3.08Å
303N84.9Confident84Confident0 Ų027 Ų270%015%0.154CC..Hα-helixtrans-50.9-47.8-177.5-72.6-24000114.4D48 N299 V305 I306 Y307D48-N303 PolarHBondContact OD2-ND2 2.97Å; N299-N303 PolarHBondContact O-N 3.3Å; N303-V305 VanDerWaalsContact C-N 3.33Å; N303-V305 PolarHBondContact O-N 2.88Å; N303-I306 PolarHBondContact O-N 3.39Å; N303-I306 VanDerWaalsContact O-N 3.08Å; N303-Y307 HydrophobicContact CB-CE2 4.18Å; N303-Y307 WeakPolarHBondContact O-CD2 2.95Å; N303-Y307 PolarHBondContact O-N 2.9Å
304P85.8Confident84Confident10 Ų1029.6 Ų29.67%0.06516%0.162CC..Hα-helixtrans-59.9-38.4176.4-25.536.1000114.1V22 I306 Y307 A308V22-P304 HydrophobicContact CG2-CB 4.05Å; V22-P304 HydrophobicContact CG2-CG 4.21Å; P304-I306 VanDerWaalsContact C-N 3.26Å; P304-I306 PolarHBondContact O-N 2.78Å; P304-Y307 PolarHBondContact O-N 3.33Å; P304-A308 PolarHBondContact O-N 3.07Å; P304-A308 VanDerWaalsContact O-N 3.1Å
305V83.1Confident83.8Confident61 Ų6131.3 Ų31.337%0.3717%0.173SC..Hα-helixtrans-62.8-40.2176-179.10000109.8W14 L302 N303 Y307 A308 F309W14-V305 HydrophobicContact CZ2-CG2 3.78Å; L302-V305 WeakPolarHBondContact O-CB 3.23Å; L302-V305 PolarHBondContact O-N 3.45Å; N303-V305 VanDerWaalsContact C-N 3.33Å; N303-V305 PolarHBondContact O-N 2.88Å; V305-Y307 VanDerWaalsContact C-N 3.35Å; V305-A308 WeakPolarHBondContact O-CB 3.45Å; V305-A308 PolarHBondContact O-N 2.85Å; V305-F309 HydrophobicContact CG1-CE2 4.46Å
306I80.7Confident83.7Confident8 Ų828.3 Ų28.34%0.04116%0.158CC..Hα-helixtrans-70-37.2-178-51.5162.3000111T244 I248 V251 L302 N303 P304 A308 F309T244-I306 HydrophobicContact CG2-CG2 3.93Å; I248-I306 HydrophobicContact CB-CG2 4.39Å; I248-I306 HydrophobicContact CD1-CG2 3.87Å; I248-I306 HydrophobicContact CG1-CB 3.94Å; I248-I306 HydrophobicContact CG1-CD1 4.13Å; I248-I306 HydrophobicContact CG1-CG2 3.14Å; V251-I306 HydrophobicContact CB-CD1 4.39Å; V251-I306 HydrophobicContact CG1-CD1 4.4Å; L302-I306 HydrophobicContact CB-CD1 4.43Å; L302-I306 WeakPolarHBondContact O-CG1 3.44Å; L302-I306 PolarHBondContact O-N 3.39Å; L302-I306 VanDerWaalsContact O-N 3.08Å; N303-I306 PolarHBondContact O-N 3.39Å; N303-I306 VanDerWaalsContact O-N 3.08Å; P304-I306 VanDerWaalsContact C-N 3.26Å; P304-I306 PolarHBondContact O-N 2.78Å; I306-A308 VanDerWaalsContact C-N 3.28Å; I306-A308 PolarHBondContact O-N 3.19Å; I306-F309 HydrophobicContact CG2-CD2 4.3Å; I306-F309 WeakPolarHBondContact O-CB 3.45Å; I306-F309 WeakPolarHBondContact O-CD2 3.34Å; I306-F309 PolarHBondContact O-N 2.94Å; I306-F309 VanDerWaalsContact O-N 3.15Å
307Y81.8Confident83.7Confident12 Ų1229.5 Ų29.55%0.04716%0.163CC..Hα-helixtrans-65-30.2173.2-58.6-40.2000113.2V22 I41 L44 I248 N303 P304 V305 F309 N310 F313V22-Y307 HydrophobicContact CG1-CD2 4.13Å; V22-Y307 HydrophobicContact CG1-CE2 4.21Å; V22-Y307 HydrophobicContact CG2-CD2 3.75Å; V22-Y307 HydrophobicContact CG2-CE2 4.3Å; I41-Y307 HydrophobicContact CD1-CD1 4.46Å; I41-Y307 HydrophobicContact CD1-CE1 4.15Å; I41-Y307 HydrophobicContact CG1-CE1 4.15Å; I41-Y307 HydrophobicContact CG2-CD2 4.16Å; I41-Y307 HydrophobicContact CG2-CE1 4.07Å; I41-Y307 HydrophobicContact CG2-CE2 3.64Å; L44-Y307 WeakPolarHBondContact CD2-OH 3.49Å; I248-Y307 HydrophobicContact CD1-CE1 4.14Å; N303-Y307 HydrophobicContact CB-CE2 4.18Å; N303-Y307 WeakPolarHBondContact O-CD2 2.95Å; N303-Y307 PolarHBondContact O-N 2.9Å; P304-Y307 PolarHBondContact O-N 3.33Å; V305-Y307 VanDerWaalsContact C-N 3.35Å; Y307-F309 PolarHBondContact O-N 3.22Å; Y307-F309 VanDerWaalsContact O-N 3.15Å; Y307-N310 VanDerWaalsContact O-CB 3.3Å; Y307-N310 WeakPolarHBondContact O-CB 3.23Å; Y307-N310 PolarHBondContact O-N 2.96Å; Y307-F313 WeakPolarHBondContact O-CB 3.47Å
308A81.9Confident83.5Confident28 Ų2830.4 Ų30.423%0.23117%0.168CC..THydrogen-bonded Turntrans-64.6-14.5174.600000113.7P304 V305 I306 N310 R314 F317P304-A308 PolarHBondContact O-N 3.07Å; P304-A308 VanDerWaalsContact O-N 3.1Å; V305-A308 WeakPolarHBondContact O-CB 3.45Å; V305-A308 PolarHBondContact O-N 2.85Å; I306-A308 VanDerWaalsContact C-N 3.28Å; I306-A308 PolarHBondContact O-N 3.19Å; A308-N310 VanDerWaalsContact C-N 3.29Å; A308-R314 WeakPolarHBondContact O-CB 3.37Å; A308-F317 HydrophobicContact CB-CD2 4.12Å; A308-F317 HydrophobicContact CB-CE2 4.16Å
309F75.7Confident83.3Confident93 Ų9334.9 Ų34.941%0.40818%0.18SC..THydrogen-bonded Turntrans-74.4-18.8168.8-66.3-67.9000113.1T244 V305 I306 Y307T244-F309 HydrophobicContact CG2-CB 3.86Å; V305-F309 HydrophobicContact CG1-CE2 4.46Å; I306-F309 HydrophobicContact CG2-CD2 4.3Å; I306-F309 WeakPolarHBondContact O-CB 3.45Å; I306-F309 WeakPolarHBondContact O-CD2 3.34Å; I306-F309 PolarHBondContact O-N 2.94Å; I306-F309 VanDerWaalsContact O-N 3.15Å; Y307-F309 PolarHBondContact O-N 3.22Å; Y307-F309 VanDerWaalsContact O-N 3.15Å
310N77.9Confident83Confident48 Ų4836.9 Ų36.926%0.25719%0.191SC..SBendtrans-79.5124.6172-175.4-54.4000109.5Y307 A308 D312 F313 R314Y307-N310 VanDerWaalsContact O-CB 3.3Å; Y307-N310 WeakPolarHBondContact O-CB 3.23Å; Y307-N310 PolarHBondContact O-N 2.96Å; A308-N310 VanDerWaalsContact C-N 3.29Å; N310-D312 VanDerWaalsContact C-N 3.28Å; N310-D312 PolarHBondContact O-N 3.41Å; N310-D312 WeakPolarHBondContact OD1-CB 3.49Å; N310-D312 PolarHBondContact OD1-N 3.05Å; N310-F313 HydrophobicContact CB-CB 4.29Å; N310-F313 HydrophobicContact CB-CD2 4.18Å; N310-F313 PolarHBondContact O-N 3.18Å; N310-R314 VanDerWaalsContact O-CB 3.27Å; N310-R314 WeakPolarHBondContact O-CB 3.23Å; N310-R314 PolarHBondContact O-N 3.23Å
311A75.4Confident82.5Confident51 Ų5138.8 Ų38.842%0.42120%0.201SC..Hα-helixtrans-58.9-36.4-175.100000113.5D315A311-D315 WeakPolarHBondContact O-CB 3.28Å; A311-D315 PolarHBondContact O-N 3.46Å
312D81.8Confident81.6Confident56 Ų5646 Ų4630%0.29923%0.227SC..Hα-helixtrans-69.3-43.9-179.3-59.1-21000110.8L32 K35 N310 A316L32-D312 HydrophobicContact CD2-CB 3.7Å; K35-D312 IonicContact NZ-OD2 3.97Å; K35-D312 PolarHBondContact NZ-OD2 2.84Å; N310-D312 VanDerWaalsContact C-N 3.28Å; N310-D312 PolarHBondContact O-N 3.41Å; N310-D312 WeakPolarHBondContact OD1-CB 3.49Å; N310-D312 PolarHBondContact OD1-N 3.05Å; D312-A316 WeakPolarHBondContact O-CB 3.46Å; D312-A316 PolarHBondContact O-N 3.12Å; D312-A316 VanDerWaalsContact O-N 3.12Å
313F83.6Confident80.3Confident3 Ų348.3 Ų48.31%0.01325%0.247CC..Hα-helixtrans-67.9-40.8176.2-87.6-84.6000111.9V22 V26 L32 N38 I41 Y307 N310 D315 A316 F317V22-F313 HydrophobicContact CG1-CE1 4.39Å; V26-F313 HydrophobicContact CG2-CE1 3.68Å; V26-F313 HydrophobicContact CG2-CZ 3.86Å; L32-F313 HydrophobicContact CD1-CD1 4.41Å; L32-F313 HydrophobicContact CD1-CE1 4.45Å; L32-F313 HydrophobicContact CD2-CD2 4.37Å; L32-F313 HydrophobicContact CD2-CE2 4.36Å; N38-F313 WeakPolarHBondContact OD1-CE2 3.29Å; I41-F313 HydrophobicContact CD1-CE2 3.9Å; I41-F313 HydrophobicContact CD1-CZ 3.91Å; I41-F313 HydrophobicContact CG2-CE1 4.4Å; I41-F313 HydrophobicContact CG2-CZ 4.06Å; Y307-F313 WeakPolarHBondContact O-CB 3.47Å; N310-F313 HydrophobicContact CB-CB 4.29Å; N310-F313 HydrophobicContact CB-CD2 4.18Å; N310-F313 PolarHBondContact O-N 3.18Å; F313-D315 PolarHBondContact O-N 2.63Å; F313-A316 WeakPolarHBondContact O-CB 3.27Å; F313-A316 PolarHBondContact O-N 3.05Å; F313-F317 HydrophobicContact CB-CE2 4.42Å; F313-F317 HydrophobicContact CB-CZ 4.31Å; F313-F317 HydrophobicContact CD1-CE1 4Å; F313-F317 AromaticContact CD1-CZ 3.86Å; F313-F317 HydrophobicContact CD1-CZ 3.86Å; F313-F317 WeakPolarHBondContact O-CD1 3.26Å; F313-F317 WeakPolarHBondContact O-CG 3.45Å; F313-F317 PolarHBondContact O-N 3.24Å
314R84.1Confident78.8Confident60 Ų6058 Ų5823%0.22628%0.284CS..Hα-helixtrans-59.1-48.3177.3-174.2174.969.8-151.511112.2A308 N310 A316 F317 L318 L340A308-R314 WeakPolarHBondContact O-CB 3.37Å; N310-R314 VanDerWaalsContact O-CB 3.27Å; N310-R314 WeakPolarHBondContact O-CB 3.23Å; N310-R314 PolarHBondContact O-N 3.23Å; R314-A316 VanDerWaalsContact C-N 3.32Å; R314-A316 PolarHBondContact O-N 3.43Å; R314-F317 PolarHBondContact O-N 3.4Å; R314-L318 HydrophobicContact CG-CD1 4.33Å; R314-L318 WeakPolarHBondContact O-CG 3.45Å; R314-L318 PolarHBondContact O-N 2.95Å; R314-L340 HydrophobicContact CG-CD1 4.23Å
315D83.9Confident77.4Confident59 Ų5961.6 Ų61.632%0.31632%0.322SS..Hα-helixtrans-62.5-41.9177.6-177.861.5000111.2A311 F313 F317 L318 R319A311-D315 WeakPolarHBondContact O-CB 3.28Å; A311-D315 PolarHBondContact O-N 3.46Å; F313-D315 PolarHBondContact O-N 2.63Å; D315-F317 PolarHBondContact O-N 3.15Å; D315-L318 PolarHBondContact O-N 3.44Å; D315-R319 VanDerWaalsContact CG-NE 3.29Å; D315-R319 VanDerWaalsContact CG-NH2 3.32Å; D315-R319 WeakPolarHBondContact O-CB 3.41Å; D315-R319 VanDerWaalsContact O-CG 3.3Å; D315-R319 WeakPolarHBondContact O-CG 3.22Å; D315-R319 PolarHBondContact O-N 3.1Å; D315-R319 IonicContact OD1-CZ 3.16Å; D315-R319 IonicContact OD1-NE 2.75Å; D315-R319 PolarHBondContact OD1-NE 3.4Å; D315-R319 IonicContact OD1-NH2 2.74Å; D315-R319 PolarHBondContact OD1-NH2 3.27Å; D315-R319 VanDerWaalsContact OD1-NH2 3.12Å; D315-R319 IonicContact OD2-CZ 3.95Å; D315-R319 IonicContact OD2-NE 3.12Å; D315-R319 PolarHBondContact OD2-NE 2.93Å; D315-R319 IonicContact OD2-NH2 3.55Å; D315-R319 PolarHBondContact OD2-NH2 2.98Å
316A85.3Confident75.7Confident0 Ų060.9 Ų60.90%033%0.327CS..Hα-helixtrans-60.2-43.5173.800000112.9A25 Y29 L32 D312 F313 R314 L320A25-A316 HydrophobicContact CB-CB 4.01Å; Y29-A316 HydrophobicContact CD2-CB 3.4Å; Y29-A316 HydrophobicContact CE2-CB 3.44Å; Y29-A316 VanDerWaalsContact CE2-CB 3.44Å; Y29-A316 WeakPolarHBondContact CE2-O 3.5Å; Y29-A316 HydrophobicContact CG-CB 4.27Å; Y29-A316 PolarHBondContact OH-O 2.93Å; L32-A316 HydrophobicContact CD1-CB 3.71Å; D312-A316 WeakPolarHBondContact O-CB 3.46Å; D312-A316 PolarHBondContact O-N 3.12Å; D312-A316 VanDerWaalsContact O-N 3.12Å; F313-A316 WeakPolarHBondContact O-CB 3.27Å; F313-A316 PolarHBondContact O-N 3.05Å; R314-A316 VanDerWaalsContact C-N 3.32Å; R314-A316 PolarHBondContact O-N 3.43Å; A316-L320 WeakPolarHBondContact O-CB 3.46Å; A316-L320 VanDerWaalsContact O-CG 3.32Å; A316-L320 WeakPolarHBondContact O-CG 3.42Å; A316-L320 PolarHBondContact O-N 3.38Å
317F87Confident74.3Confident24 Ų2463.8 Ų63.811%0.10536%0.359CS..Hα-helixtrans-64.4-48.2177.6-65.4-14000111.6T21 V22 A25 A308 F313 R314 D315 R319 L320 L321T21-F317 HydrophobicContact CG2-CD1 3.69Å; T21-F317 HydrophobicContact CG2-CE1 4.04Å; T21-F317 HydrophobicContact CG2-CG 4.26Å; V22-F317 HydrophobicContact CG2-CE1 4.42Å; V22-F317 HydrophobicContact CG2-CZ 3.88Å; A25-F317 HydrophobicContact CB-CD1 3.91Å; A25-F317 HydrophobicContact CB-CE1 3.7Å; A308-F317 HydrophobicContact CB-CD2 4.12Å; A308-F317 HydrophobicContact CB-CE2 4.16Å; F313-F317 HydrophobicContact CB-CE2 4.42Å; F313-F317 HydrophobicContact CB-CZ 4.31Å; F313-F317 HydrophobicContact CD1-CE1 4Å; F313-F317 AromaticContact CD1-CZ 3.86Å; F313-F317 HydrophobicContact CD1-CZ 3.86Å; F313-F317 WeakPolarHBondContact O-CD1 3.26Å; F313-F317 WeakPolarHBondContact O-CG 3.45Å; F313-F317 PolarHBondContact O-N 3.24Å; R314-F317 PolarHBondContact O-N 3.4Å; D315-F317 PolarHBondContact O-N 3.15Å; F317-R319 VanDerWaalsContact C-N 3.32Å; F317-R319 PolarHBondContact O-N 3.47Å; F317-L320 PolarHBondContact O-N 3.03Å; F317-L320 VanDerWaalsContact O-N 3.16Å; F317-L321 VanDerWaalsContact O-CG 3.28Å; F317-L321 WeakPolarHBondContact O-CG 3.48Å; F317-L321 PolarHBondContact O-N 3.28Å
318L82.6Confident72.7Confident21 Ų2171.1 Ų71.111%0.1139%0.391CS..Hα-helixtrans-60.2-42.1178.5-71.1173000111.7R314 D315 L321 R322R314-L318 HydrophobicContact CG-CD1 4.33Å; R314-L318 WeakPolarHBondContact O-CG 3.45Å; R314-L318 PolarHBondContact O-N 2.95Å; D315-L318 PolarHBondContact O-N 3.44Å; L318-L321 PolarHBondContact O-N 2.86Å; L318-R322 WeakPolarHBondContact O-CB 3.3Å; L318-R322 VanDerWaalsContact O-CG 3.22Å; L318-R322 WeakPolarHBondContact O-CG 3.48Å; L318-R322 PolarHBondContact O-N 2.88Å
319R83Confident71.3Confident125 Ų12572.7 Ų72.747%0.47240%0.395SS..Hα-helixtrans-65.8-39.5175.9-71179.2-155.1-104.70.6112.4Y29 D315 F317 R322 C323Y29-R319 WeakPolarHBondContact OH-CB 3.21Å; D315-R319 VanDerWaalsContact CG-NE 3.29Å; D315-R319 VanDerWaalsContact CG-NH2 3.32Å; D315-R319 WeakPolarHBondContact O-CB 3.41Å; D315-R319 VanDerWaalsContact O-CG 3.3Å; D315-R319 WeakPolarHBondContact O-CG 3.22Å; D315-R319 PolarHBondContact O-N 3.1Å; D315-R319 IonicContact OD1-CZ 3.16Å; D315-R319 IonicContact OD1-NE 2.75Å; D315-R319 PolarHBondContact OD1-NE 3.4Å; D315-R319 IonicContact OD1-NH2 2.74Å; D315-R319 PolarHBondContact OD1-NH2 3.27Å; D315-R319 VanDerWaalsContact OD1-NH2 3.12Å; D315-R319 IonicContact OD2-CZ 3.95Å; D315-R319 IonicContact OD2-NE 3.12Å; D315-R319 PolarHBondContact OD2-NE 2.93Å; D315-R319 IonicContact OD2-NH2 3.55Å; D315-R319 PolarHBondContact OD2-NH2 2.98Å; F317-R319 VanDerWaalsContact C-N 3.32Å; F317-R319 PolarHBondContact O-N 3.47Å; R319-R322 PolarHBondContact O-N 3.41Å; R319-C323 PolarHBondContact O-N 3.3Å; R319-C323 VanDerWaalsContact O-N 3.11Å; R319-C323 PolarHBondContact O-SG 3.07Å; R319-C323 VanDerWaalsContact O-SG 3.33Å
320L82.4Confident70.2Confident42 Ų4271.8 Ų71.822%0.2240%0.401CS..Hα-helixtrans-64.1-39.8175.4-78169.2000112.4T21 A24 A25 R28 Y29 A316 F317 C323T21-L320 HydrophobicContact CG2-CD1 4.37Å; A24-L320 HydrophobicContact CB-CD1 4.3Å; A25-L320 HydrophobicContact CB-CD1 3.83Å; R28-L320 HydrophobicContact CG-CD2 4.39Å; Y29-L320 HydrophobicContact CE2-CD1 4.19Å; Y29-L320 HydrophobicContact CE2-CD2 4.48Å; Y29-L320 HydrophobicContact CE2-CG 3.96Å; A316-L320 WeakPolarHBondContact O-CB 3.46Å; A316-L320 VanDerWaalsContact O-CG 3.32Å; A316-L320 WeakPolarHBondContact O-CG 3.42Å; A316-L320 PolarHBondContact O-N 3.38Å; F317-L320 PolarHBondContact O-N 3.03Å; F317-L320 VanDerWaalsContact O-N 3.16Å; L320-C323 PolarHBondContact O-N 2.97Å
321L75.6Confident69.1Low42 Ų4272.5 Ų72.522%0.2241%0.413CS..Hα-helixtrans-68.1-37.1177.1-68.4169.3000112F317 L318 R324 L329F317-L321 VanDerWaalsContact O-CG 3.28Å; F317-L321 WeakPolarHBondContact O-CG 3.48Å; F317-L321 PolarHBondContact O-N 3.28Å; L318-L321 PolarHBondContact O-N 2.86Å; L321-R324 PolarHBondContact O-N 3.4Å; L321-L329 HydrophobicContact CD2-CB 4.39Å; L321-L329 HydrophobicContact CD2-CD2 3.91Å
322R71.3Confident68.2Low159 Ų15972.4 Ų72.460%0.641%0.407SS*.Hα-helixtrans-71.3-29177.3-72.2171.7-176.8178.60.4113.7L318 R319 R324 E337L318-R322 WeakPolarHBondContact O-CB 3.3Å; L318-R322 VanDerWaalsContact O-CG 3.22Å; L318-R322 WeakPolarHBondContact O-CG 3.48Å; L318-R322 PolarHBondContact O-N 2.88Å; R319-R322 PolarHBondContact O-N 3.41Å; R322-R324 PolarHBondContact O-N 2.93Å; R322-E337 IonicContact CZ-OE1 2.64Å; R322-E337 IonicContact NH2-OE1 3.82Å; R322-E337 PolarHBondContact NH2-OE1 2.71Å
323C57.8Low67.1Low113 Ų11370.3 Ų70.376%0.76440%0.397SS*.THydrogen-bonded Turntrans-75.7-6178.2-72.80000114.2R319 L320R319-C323 PolarHBondContact O-N 3.3Å; R319-C323 VanDerWaalsContact O-N 3.11Å; R319-C323 PolarHBondContact O-SG 3.07Å; R319-C323 VanDerWaalsContact O-SG 3.33Å; L320-C323 PolarHBondContact O-N 2.97Å
324R54.7Low65.9Low204 Ų20473.8 Ų73.877%0.7742%0.418SS*.SBendtrans-127.471.2-176.5-147.6171.6-179.4157.5-0.7109.9L321 R322 G326L321-R324 PolarHBondContact O-N 3.4Å; R322-R324 PolarHBondContact O-N 2.93Å; R324-G326 PolarHBondContact O-N 3.46Å
325G55.6Low64.7Low84 Ų8473.6 Ų73.687%0.86643%0.429SS*.  trans-52.9124.4-179.300000113.1
326G47Very low63.6Low47 Ų4773.3 Ų73.349%0.48543%0.43SS..  trans175.5121.7174.200000110R324 F328 L329R324-G326 PolarHBondContact O-N 3.46Å; G326-F328 VanDerWaalsContact C-N 3.28Å; G326-F328 PolarHBondContact O-N 3.32Å; G326-L329 PolarHBondContact O-N 2.71Å; G326-L329 VanDerWaalsContact O-N 3.11Å
327G52.7Low62.7Low68 Ų6877 Ų7770%0.70145%0.447SS*.Hα-helixtrans-51.3-25.3-157.200000118.9
328F48.4Very low61.7Low167 Ų16779.6 Ų79.673%0.73247%0.465SS*.Hα-helixtrans-70.1-37.3178.6-176.3-106.5000113.2G326 S330 A331 V332G326-F328 VanDerWaalsContact C-N 3.28Å; G326-F328 PolarHBondContact O-N 3.32Å; F328-S330 VanDerWaalsContact C-N 3.34Å; F328-A331 PolarHBondContact O-N 3.36Å; F328-V332 HydrophobicContact CE1-CG2 4.5Å; F328-V332 PolarHBondContact O-N 3.31Å
329L51.6Low60.4Low61 Ų6185.5 Ų85.532%0.31949%0.494SS..Hα-helixtrans-77.1-23.6-178.4-68169.1000112.5L321 G326 S333L321-L329 HydrophobicContact CD2-CB 4.39Å; L321-L329 HydrophobicContact CD2-CD2 3.91Å; G326-L329 PolarHBondContact O-N 2.71Å; G326-L329 VanDerWaalsContact O-N 3.11Å; L329-S333 WeakPolarHBondContact O-CB 3.28Å; L329-S333 PolarHBondContact O-N 3.1Å
330S52.3Low59.2Low74 Ų7481 Ų8152%0.51748%0.479SS..Hα-helixtrans-65.9-40.8170.7-167.10000111.3F328 S333 T334F328-S330 VanDerWaalsContact C-N 3.34Å; S330-S333 WeakPolarHBondContact O-CB 3.36Å; S330-S333 PolarHBondContact O-N 2.85Å; S330-T334 PolarHBondContact O-N 2.97Å; S330-T334 PolarHBondContact O-OG1 2.95Å
331A54.9Low58.2Low62 Ų6281.8 Ų81.851%0.51249%0.491SS..Hα-helixtrans-64.6-40.5177.600000112F328 T334 A335F328-A331 PolarHBondContact O-N 3.36Å; A331-T334 PolarHBondContact O-N 3.1Å; A331-A335 WeakPolarHBondContact O-CB 3.36Å; A331-A335 PolarHBondContact O-N 2.88Å
332V55.7Low57.6Low49 Ų4985.2 Ų85.230%0.29751%0.51SS..Hα-helixtrans-64.6-43.1173.6177.70000111F328 T334 A335 V336F328-V332 HydrophobicContact CE1-CG2 4.5Å; F328-V332 PolarHBondContact O-N 3.31Å; V332-T334 PolarHBondContact O-N 3.1Å; V332-A335 PolarHBondContact O-N 3.02Å; V332-V336 HydrophobicContact CG1-CG2 4.44Å; V332-V336 WeakPolarHBondContact O-CB 3.22Å; V332-V336 VanDerWaalsContact O-CG2 3.26Å; V332-V336 WeakPolarHBondContact O-CG2 3.3Å; V332-V336 PolarHBondContact O-N 3.38Å
333S58.8Low56.9Low12 Ų1281.6 Ų81.68%0.08450%0.502CS..Hα-helixtrans-59.1-44.9175.2-171.10000111.9L329 S330 V336 E337L329-S333 WeakPolarHBondContact O-CB 3.28Å; L329-S333 PolarHBondContact O-N 3.1Å; S330-S333 WeakPolarHBondContact O-CB 3.36Å; S330-S333 PolarHBondContact O-N 2.85Å; S333-V336 PolarHBondContact O-N 2.8Å; S333-E337 WeakPolarHBondContact O-CG 3.43Å; S333-E337 PolarHBondContact O-N 2.82Å
334T58.8Low57Low76 Ų7682.1 Ų82.147%0.46649%0.494SS..Hα-helixtrans-65.6-42.5177.7-53.40000111.8S330 A331 V332 V336 E337 T338S330-T334 PolarHBondContact O-N 2.97Å; S330-T334 PolarHBondContact O-OG1 2.95Å; A331-T334 PolarHBondContact O-N 3.1Å; V332-T334 PolarHBondContact O-N 3.1Å; T334-V336 VanDerWaalsContact C-N 3.31Å; T334-V336 PolarHBondContact O-N 3.14Å; T334-E337 PolarHBondContact O-N 3.47Å; T334-T338 PolarHBondContact O-N 3.01Å; T334-T338 PolarHBondContact O-OG1 2.86Å
335A59.3Low57.2Low56 Ų5675.1 Ų75.146%0.46348%0.479SS..Hα-helixtrans-61.9-40.5176.400000111.7A331 V332 T338 M339A331-A335 WeakPolarHBondContact O-CB 3.36Å; A331-A335 PolarHBondContact O-N 2.88Å; V332-A335 PolarHBondContact O-N 3.02Å; A335-T338 PolarHBondContact O-N 3.09Å; A335-M339 WeakPolarHBondContact O-CG 3.27Å; A335-M339 PolarHBondContact O-N 3.37Å
336V60.1Low57.2Low54 Ų5472.9 Ų72.933%0.32746%0.457SS..Hα-helixtrans-64.8-46.6174.1170.90000110.8V332 S333 T334 T338 M339 L340V332-V336 HydrophobicContact CG1-CG2 4.44Å; V332-V336 WeakPolarHBondContact O-CB 3.22Å; V332-V336 VanDerWaalsContact O-CG2 3.26Å; V332-V336 WeakPolarHBondContact O-CG2 3.3Å; V332-V336 PolarHBondContact O-N 3.38Å; S333-V336 PolarHBondContact O-N 2.8Å; T334-V336 VanDerWaalsContact C-N 3.31Å; T334-V336 PolarHBondContact O-N 3.14Å; V336-T338 VanDerWaalsContact C-N 3.27Å; V336-T338 PolarHBondContact O-N 3.14Å; V336-M339 PolarHBondContact O-N 3.05Å; V336-L340 HydrophobicContact CG1-CD1 3.84Å; V336-L340 HydrophobicContact CG1-CG 4.37Å; V336-L340 WeakPolarHBondContact O-CD1 3.18Å; V336-L340 WeakPolarHBondContact O-CG 3.26Å; V336-L340 PolarHBondContact O-N 3.33Å
337E67.4Low57.1Low78 Ų7873.5 Ų73.536%0.36445%0.447SS..Hα-helixtrans-58.2-37.5175-76.4-179-171.100112.7R322 S333 T334 L340 A341R322-E337 IonicContact CZ-OE1 2.64Å; R322-E337 IonicContact NH2-OE1 3.82Å; R322-E337 PolarHBondContact NH2-OE1 2.71Å; S333-E337 WeakPolarHBondContact O-CG 3.43Å; S333-E337 PolarHBondContact O-N 2.82Å; T334-E337 PolarHBondContact O-N 3.47Å; E337-L340 WeakPolarHBondContact O-CB 3.48Å; E337-L340 PolarHBondContact O-N 3.17Å; E337-A341 PolarHBondContact O-N 3.3Å
338T65.5Low56.9Low77 Ų7778.3 Ų78.347%0.47245%0.448SS..Hα-helixtrans-69-43.3177.9-44.60000111.9T334 A335 V336 L340 A341 N342T334-T338 PolarHBondContact O-N 3.01Å; T334-T338 PolarHBondContact O-OG1 2.86Å; A335-T338 PolarHBondContact O-N 3.09Å; V336-T338 VanDerWaalsContact C-N 3.27Å; V336-T338 PolarHBondContact O-N 3.14Å; T338-L340 PolarHBondContact O-N 3.38Å; T338-A341 PolarHBondContact O-N 2.96Å; T338-N342 PolarHBondContact O-N 2.95Å
339M55.3Low57Low146 Ų14679.5 Ų79.572%0.71945%0.448SS*.Hα-helixtrans-59.6-36.2171.9-75.7-90-157.500111.8A335 V336 N342 N343A335-M339 WeakPolarHBondContact O-CG 3.27Å; A335-M339 PolarHBondContact O-N 3.37Å; V336-M339 PolarHBondContact O-N 3.05Å; M339-N342 PolarHBondContact O-N 3.01Å; M339-N343 WeakPolarHBondContact O-CB 3.35Å; M339-N343 PolarHBondContact O-N 3.29Å
340L58.3Low56.5Low31 Ų3185.2 Ų85.216%0.16247%0.465CS..Hα-helixtrans-70.7-44.4179.9-68.7165.6000112.5R314 V336 E337 T338 N342 N343 E344R314-L340 HydrophobicContact CG-CD1 4.23Å; V336-L340 HydrophobicContact CG1-CD1 3.84Å; V336-L340 HydrophobicContact CG1-CG 4.37Å; V336-L340 WeakPolarHBondContact O-CD1 3.18Å; V336-L340 WeakPolarHBondContact O-CG 3.26Å; V336-L340 PolarHBondContact O-N 3.33Å; E337-L340 WeakPolarHBondContact O-CB 3.48Å; E337-L340 PolarHBondContact O-N 3.17Å; T338-L340 PolarHBondContact O-N 3.38Å; L340-N342 PolarHBondContact O-N 3.33Å; L340-N343 PolarHBondContact O-N 2.94Å; L340-E344 PolarHBondContact O-N 3.39Å
341A62.1Low56Low58 Ų5885.4 Ų85.448%0.47946%0.461SS..Hα-helixtrans-57.3-41.317400000111.1E337 T338 A345E337-A341 PolarHBondContact O-N 3.3Å; T338-A341 PolarHBondContact O-N 2.96Å; A341-A345 VanDerWaalsContact O-CB 3.26Å; A341-A345 WeakPolarHBondContact O-CB 3.29Å; A341-A345 PolarHBondContact O-N 3.42Å
342N62Low55.8Low113 Ų11385.5 Ų85.560%0.60446%0.457SS*.Hα-helixtrans-67.9-39.9177.6-75.1-16.6000113T338 M339 L340 G346T338-N342 PolarHBondContact O-N 2.95Å; M339-N342 PolarHBondContact O-N 3.01Å; L340-N342 PolarHBondContact O-N 3.33Å; N342-G346 PolarHBondContact O-N 3.43Å
343N56.6Low55.5Low83 Ų8386.5 Ų86.544%0.44446%0.464SS..Hα-helixtrans-71.2-39.2179.6-159.28.6000112M339 L340 G346 Q347M339-N343 WeakPolarHBondContact O-CB 3.35Å; M339-N343 PolarHBondContact O-N 3.29Å; L340-N343 PolarHBondContact O-N 2.94Å; N343-G346 PolarHBondContact O-N 3.47Å; N343-Q347 WeakPolarHBondContact O-CB 3.37Å; N343-Q347 PolarHBondContact O-N 3.38Å
344E59Low54.6Low124 Ų12490.9 Ų90.958%0.57949%0.486SS*.Hα-helixtrans-66.3-40.9173.5-72.4-169.1157.300112.1L340 Q347 K348L340-E344 PolarHBondContact O-N 3.39Å; E344-Q347 PolarHBondContact O-N 3.07Å; E344-K348 WeakPolarHBondContact O-CB 3.34Å; E344-K348 PolarHBondContact O-N 3.35Å
345A60.4Low54Low57 Ų5794.5 Ų94.547%0.47150%0.495SS..Hα-helixtrans-61-43.9172.700000111.7A341 K348 R349A341-A345 VanDerWaalsContact O-CB 3.26Å; A341-A345 WeakPolarHBondContact O-CB 3.29Å; A341-A345 PolarHBondContact O-N 3.42Å; A345-K348 PolarHBondContact O-N 3.36Å; A345-R349 WeakPolarHBondContact O-CB 3.27Å; A345-R349 PolarHBondContact O-N 2.96Å
346G55.8Low53.7Low38 Ų3894.2 Ų94.239%0.39249%0.493SS..Hα-helixtrans-62.1-42.2175.700000113N342 N343 R349 R350N342-G346 PolarHBondContact O-N 3.43Å; N343-G346 PolarHBondContact O-N 3.47Å; G346-R349 PolarHBondContact O-N 3.4Å; G346-R350 WeakPolarHBondContact O-CB 3.38Å; G346-R350 PolarHBondContact O-N 2.99Å
347Q44Very low52.9Low60 Ų6098.9 Ų98.928%0.2851%0.509SS..Hα-helixtrans-64.5-44.2176.3-168.888.313.800111.4N343 E344 R349 R350 D351N343-Q347 WeakPolarHBondContact O-CB 3.37Å; N343-Q347 PolarHBondContact O-N 3.38Å; E344-Q347 PolarHBondContact O-N 3.07Å; Q347-R349 VanDerWaalsContact C-N 3.3Å; Q347-R349 PolarHBondContact O-N 3.48Å; Q347-R350 PolarHBondContact O-N 2.89Å; Q347-R350 VanDerWaalsContact O-N 3.17Å; Q347-D351 PolarHBondContact O-N 3.22Å
348K49.2Very low51.6Low168 Ų168100.2 Ų100.273%0.7352%0.518SS*.Hα-helixtrans-63.6-37.2178.2-154174.7-172.6-178.90111.5E344 A345 S352E344-K348 WeakPolarHBondContact O-CB 3.34Å; E344-K348 PolarHBondContact O-N 3.35Å; A345-K348 PolarHBondContact O-N 3.36Å; K348-S352 WeakPolarHBondContact O-CB 3.21Å; K348-S352 PolarHBondContact O-N 2.99Å; K348-S352 VanDerWaalsContact O-N 3.08Å; K348-S352 PolarHBondContact O-OG 2.8Å
349R49.1Very low50.5Low193 Ų19399.7 Ų99.773%0.72852%0.517SS*.Hα-helixtrans-67.6-37.8173.7-158.2177.2-172.8-168.42.3112.3A345 G346 Q347 S352 T353A345-R349 WeakPolarHBondContact O-CB 3.27Å; A345-R349 PolarHBondContact O-N 2.96Å; G346-R349 PolarHBondContact O-N 3.4Å; Q347-R349 VanDerWaalsContact C-N 3.3Å; Q347-R349 PolarHBondContact O-N 3.48Å; R349-S352 VanDerWaalsContact CA-OG 3.25Å; R349-S352 WeakPolarHBondContact CA-OG 3.5Å; R349-S352 PolarHBondContact O-OG 3.4Å; R349-T353 WeakPolarHBondContact O-CB 3.22Å; R349-T353 PolarHBondContact O-N 2.83Å; R349-T353 PolarHBondContact O-OG1 2.72Å
350R42.9Very low50.1Low180 Ų18097.5 Ų97.568%0.67951%0.512SS*.Hα-helixtrans-70.8-41.2178.5-145.1173-165161.31.6112G346 Q347 T353 L354G346-R350 WeakPolarHBondContact O-CB 3.38Å; G346-R350 PolarHBondContact O-N 2.99Å; Q347-R350 PolarHBondContact O-N 2.89Å; Q347-R350 VanDerWaalsContact O-N 3.17Å; R350-T353 PolarHBondContact O-N 3.38Å; R350-L354 WeakPolarHBondContact O-CB 3.22Å; R350-L354 PolarHBondContact O-N 3.27Å
351D41.3Very low49Very low79 Ų7998.9 Ų98.942%0.42252%0.524SS..Hα-helixtrans-67.7-37.5176.5-79-5.4000112.1Q347 K355Q347-D351 PolarHBondContact O-N 3.22Å; D351-K355 WeakPolarHBondContact O-CB 3.46Å; D351-K355 WeakPolarHBondContact O-CG 3.36Å; D351-K355 PolarHBondContact O-N 3.4Å
352S50.6Low48.2Very low63 Ų63100.8 Ų100.844%0.44153%0.53SS..Hα-helixtrans-68.5-40.3173.539.10000112.1K348 R349 K355 A356K348-S352 WeakPolarHBondContact O-CB 3.21Å; K348-S352 PolarHBondContact O-N 2.99Å; K348-S352 VanDerWaalsContact O-N 3.08Å; K348-S352 PolarHBondContact O-OG 2.8Å; R349-S352 VanDerWaalsContact CA-OG 3.25Å; R349-S352 WeakPolarHBondContact CA-OG 3.5Å; R349-S352 PolarHBondContact O-OG 3.4Å; S352-K355 PolarHBondContact O-N 3.22Å; S352-A356 WeakPolarHBondContact O-CB 3.11Å; S352-A356 PolarHBondContact O-N 3.17Å
353T49.4Very low47.4Very low70 Ų70101.2 Ų101.243%0.42953%0.532SS..Hα-helixtrans-64.8-40.1174-510000112R349 R350 A356 K357R349-T353 WeakPolarHBondContact O-CB 3.22Å; R349-T353 PolarHBondContact O-N 2.83Å; R349-T353 PolarHBondContact O-OG1 2.72Å; R350-T353 PolarHBondContact O-N 3.38Å; T353-A356 PolarHBondContact O-N 3.09Å; T353-K357 WeakPolarHBondContact O-CG 3.07Å; T353-K357 PolarHBondContact O-N 3.07Å
354L39.6Very low46.8Very low105 Ų105100.2 Ų100.255%0.5554%0.535SS..Hα-helixtrans-65.4-43.3176.4-161.485.4000111R350 A356 K357 L358R350-L354 WeakPolarHBondContact O-CB 3.22Å; R350-L354 PolarHBondContact O-N 3.27Å; L354-A356 PolarHBondContact O-N 3.07Å; L354-K357 PolarHBondContact O-N 3.33Å; L354-L358 HydrophobicContact CD2-CD1 4.22Å; L354-L358 HydrophobicContact CG-CD1 4.06Å; L354-L358 WeakPolarHBondContact O-CB 3.28Å; L354-L358 WeakPolarHBondContact O-CD1 3.27Å; L354-L358 PolarHBondContact O-N 2.9Å
355K46.4Very low46Very low151 Ų151103.5 Ų103.566%0.65754%0.543SS*.Hα-helixtrans-60.1-42.5173.5-79.6-178.6177.2-171.50112.3D351 S352 L358 S359D351-K355 WeakPolarHBondContact O-CB 3.46Å; D351-K355 WeakPolarHBondContact O-CG 3.36Å; D351-K355 PolarHBondContact O-N 3.4Å; S352-K355 PolarHBondContact O-N 3.22Å; K355-L358 PolarHBondContact O-N 3.08Å; K355-S359 PolarHBondContact O-N 3.33Å; K355-S359 PolarHBondContact O-OG 2.89Å
356A52.1Low45Very low50 Ų50103.2 Ų103.241%0.41355%0.545SS..Hα-helixtrans-64.6-40.9176.700000112.1S352 T353 L354 S359 V360S352-A356 WeakPolarHBondContact O-CB 3.11Å; S352-A356 PolarHBondContact O-N 3.17Å; T353-A356 PolarHBondContact O-N 3.09Å; L354-A356 PolarHBondContact O-N 3.07Å; A356-S359 WeakPolarHBondContact CA-OG 3.43Å; A356-S359 PolarHBondContact O-N 3.02Å; A356-S359 PolarHBondContact O-OG 3.06Å; A356-V360 WeakPolarHBondContact O-CB 2.96Å; A356-V360 VanDerWaalsContact O-CG2 3.23Å; A356-V360 WeakPolarHBondContact O-CG2 3.44Å; A356-V360 PolarHBondContact O-N 3.42Å
357K45.1Very low44.2Very low152 Ų152105.9 Ų105.966%0.66156%0.557SS**Hα-helixtrans-66.5-38.5174.9-74.4-173.7176.9-168.10112.6T353 L354 S361T353-K357 WeakPolarHBondContact O-CG 3.07Å; T353-K357 PolarHBondContact O-N 3.07Å; L354-K357 PolarHBondContact O-N 3.33Å; K357-S361 WeakPolarHBondContact O-CB 3.33Å; K357-S361 PolarHBondContact O-N 3.23Å; K357-S361 VanDerWaalsContact O-N 3.12Å
358L39.5Very low43.9Very low106 Ų106111 Ų11156%0.55558%0.581SS**Hα-helixtrans-65.5-45.7175-83.9151000111.1L354 K355 V360 S361 T362L354-L358 HydrophobicContact CD2-CD1 4.22Å; L354-L358 HydrophobicContact CG-CD1 4.06Å; L354-L358 WeakPolarHBondContact O-CB 3.28Å; L354-L358 WeakPolarHBondContact O-CD1 3.27Å; L354-L358 PolarHBondContact O-N 2.9Å; K355-L358 PolarHBondContact O-N 3.08Å; L358-V360 PolarHBondContact O-N 3.4Å; L358-S361 PolarHBondContact O-N 2.05Å; L358-T362 PolarHBondContact O-N 3.28Å; L358-T362 PolarHBondContact O-OG1 2.89Å
359S41.6Very low43.4Very low67 Ų67112.2 Ų112.247%0.46959%0.587SS.*Hα-helixtrans-65.3-36.917963.70000113.3K355 A356 T362 N363K355-S359 PolarHBondContact O-N 3.33Å; K355-S359 PolarHBondContact O-OG 2.89Å; A356-S359 WeakPolarHBondContact CA-OG 3.43Å; A356-S359 PolarHBondContact O-N 3.02Å; A356-S359 PolarHBondContact O-OG 3.06Å; S359-T362 PolarHBondContact O-N 3.49Å; S359-N363 PolarHBondContact O-N 2.88Å; S359-N363 VanDerWaalsContact O-N 3.11Å
360V46.6Very low43Very low99 Ų99108.7 Ų108.760%0.659%0.587SS**Hα-helixtrans-67-37.8174.8171.70000111.1A356 L358 N363 A364A356-V360 WeakPolarHBondContact O-CB 2.96Å; A356-V360 VanDerWaalsContact O-CG2 3.23Å; A356-V360 WeakPolarHBondContact O-CG2 3.44Å; A356-V360 PolarHBondContact O-N 3.42Å; L358-V360 PolarHBondContact O-N 3.4Å; V360-N363 PolarHBondContact O-N 3.49Å; V360-A364 WeakPolarHBondContact O-CB 3.47Å; V360-A364 PolarHBondContact O-N 3.26Å
361S36.4Very low42.8Very low60 Ų60109.9 Ų109.942%0.4260%0.597SS.*Hα-helixtrans-70.1-29.1176.5-172.80000113.5K357 L358K357-S361 WeakPolarHBondContact O-CB 3.33Å; K357-S361 PolarHBondContact O-N 3.23Å; K357-S361 VanDerWaalsContact O-N 3.12Å; L358-S361 PolarHBondContact O-N 2.05Å
362T45.1Very low42.7Very low98 Ų98112.2 Ų112.260%0.60162%0.619SS**Hα-helixtrans-75.3-39.6174.8-22.20000111.4L358 S359 R365 G366L358-T362 PolarHBondContact O-N 3.28Å; L358-T362 PolarHBondContact O-OG1 2.89Å; S359-T362 PolarHBondContact O-N 3.49Å; T362-R365 PolarHBondContact O-N 3.49Å; T362-G366 PolarHBondContact O-N 3.11Å; T362-G366 VanDerWaalsContact O-N 3.09Å
363N44.9Very low42Very low122 Ų122124.6 Ų124.665%0.65266%0.657SS**Hα-helixtrans-65.2-40.6174.9-99.27.3000112.2S359 V360 R365 G366 S367S359-N363 PolarHBondContact O-N 2.88Å; S359-N363 VanDerWaalsContact O-N 3.11Å; V360-N363 PolarHBondContact O-N 3.49Å; N363-R365 VanDerWaalsContact C-N 3.26Å; N363-R365 PolarHBondContact O-N 3.18Å; N363-G366 PolarHBondContact O-N 2.67Å; N363-S367 PolarHBondContact O-N 2.92Å; N363-S367 VanDerWaalsContact O-N 3.11Å; N363-S367 PolarHBondContact O-OG 3.49Å
364A44.7Very low41.6Very low62 Ų62127.4 Ų127.451%0.51267%0.668SS.*Hα-helixtrans-64.4-26.9178.600000113.8V360V360-A364 WeakPolarHBondContact O-CB 3.47Å; V360-A364 PolarHBondContact O-N 3.26Å
365R42.5Very low41.7Very low194 Ų194128.5 Ų128.573%0.73267%0.674SS**Hα-helixtrans-87.5-25.2174.1-74.1-174.5-163.9-171.13113.7T362 N363T362-R365 PolarHBondContact O-N 3.49Å; N363-R365 VanDerWaalsContact C-N 3.26Å; N363-R365 PolarHBondContact O-N 3.18Å
366G38.5Very low41.5Very low50 Ų50127.3 Ų127.352%0.51568%0.675SS.*Hα-helixtrans-72.7-29.9173.200000113.2T362 N363 Q368T362-G366 PolarHBondContact O-N 3.11Å; T362-G366 VanDerWaalsContact O-N 3.09Å; N363-G366 PolarHBondContact O-N 2.67Å; G366-Q368 PolarHBondContact O-N 3.07Å
367S38.7Very low40.8Very low94 Ų94131.8 Ų131.866%0.65769%0.691SS**THydrogen-bonded Turntrans-80.7-6.6-178.3-52.90000115.2N363N363-S367 PolarHBondContact O-N 2.92Å; N363-S367 VanDerWaalsContact O-N 3.11Å; N363-S367 PolarHBondContact O-OG 3.49Å
368Q37.9Very low40.6Very low167 Ų167130.6 Ų130.678%0.7869%0.693SS**THydrogen-bonded Turntrans-92.2-0.4177.6-90.3-173.8-21.200114.6G366G366-Q368 PolarHBondContact O-N 3.07Å
369F38.8Very low40.7Very low194 Ų194132.2 Ų132.285%0.85170%0.702SS**SBendtrans-11011.6-177.6-103.7-82.2000115.3
370V40.9Very low40.6Very low119 Ų119136.9 Ų136.972%0.72172%0.718SS**SBendtrans-12963.5177.7-168.60000110
371F37.5Very low40.1Very low206 Ų206139.8 Ų139.890%0.90473%0.727SS**SBendtrans-169.880.2155.7-120.1-81.4000109.2
372S39.8Very low40.4Very low127 Ų127146.4 Ų146.489%0.88875%0.753SS**  trans-179.688.5152.7-110.90000108.1
373R36.2Very low40Very low324 Ų324150.8 Ų150.8100%1.22377%0.767SS**  trans-141.10151.2-107.9-168.8-175.4-159.21.2108

Retrieved 373 of 373 residues in 238 ms (Link to these results)

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