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NADH-ubiquinone oxidoreductase chain 5

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A023I918, Species HUMAN (Homo sapiens, Human), Gene ND5, Length 603 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
1M76.4Confident85.2Confident134 Ų13457.7 Ų57.766%0.6632%0.317SS*.  0-78.80-67.8-60.9-171.700113.1M3 H4 T5 Q59M1-M3 PolarHBondContact O-N 3.22Å; M1-H4 WeakPolarHBondContact O-CB 3.47Å; M1-H4 PolarHBondContact O-N 2.81Å; M1-H4 VanDerWaalsContact O-N 3.11Å; M1-T5 PolarHBondContact O-N 2.89Å; M1-T5 VanDerWaalsContact O-N 3.11Å; M1-Q59 HydrophobicContact CE-CG 4.31Å; M1-Q59 VanDerWaalsContact CE-OE1 3.26Å; M1-Q59 VanDerWaalsContact SD-CD 3.57Å; M1-Q59 PolarHBondContact SD-NE2 3.42Å; M1-Q59 PolarHBondContact SD-OE1 3.47Å; M1-Q59 VanDerWaalsContact SD-OE1 3.35Å
2T82.7Confident85.4Confident113 Ų11355.2 Ų55.269%0.69330%0.303SS*.Hα-helixtrans-58.5-45.1-174.751.10000113.3H4 T5 T6T2-H4 VanDerWaalsContact C-N 3.28Å; T2-H4 PolarHBondContact O-N 2.88Å; T2-T5 PolarHBondContact O-N 2.94Å; T2-T5 PolarHBondContact O-OG1 3.14Å; T2-T6 WeakPolarHBondContact O-CG2 3.27Å; T2-T6 PolarHBondContact O-N 2.83Å; T2-T6 PolarHBondContact O-OG1 3.36Å; T2-T6 VanDerWaalsContact O-OG1 3.06Å
3M83.4Confident85.8Confident89 Ų8956.7 Ų56.744%0.43832%0.315SS..Hα-helixtrans-62.3-36.4178.3-166.1179.1-171.700112.8M1 T6 M7 F49M1-M3 PolarHBondContact O-N 3.22Å; M3-T6 WeakPolarHBondContact CA-OG1 3.38Å; M3-T6 PolarHBondContact O-OG1 2.84Å; M3-M7 HydrophobicContact CE-CE 4.09Å; M3-M7 HydrophobicContact CG-CG 4.46Å; M3-M7 WeakPolarHBondContact O-CB 3.42Å; M3-M7 WeakPolarHBondContact O-CG 3.47Å; M3-M7 PolarHBondContact O-N 3.22Å; M3-F49 HydrophobicContact CE-CD1 4.38Å; M3-F49 HydrophobicContact CE-CD2 4.43Å; M3-F49 HydrophobicContact CE-CE1 3.55Å; M3-F49 HydrophobicContact CE-CE2 3.62Å; M3-F49 HydrophobicContact CE-CZ 3.12Å; M3-F49 HydrophobicContact CG-CE1 3.65Å; M3-F49 HydrophobicContact CG-CZ 4.1Å; M3-F49 HydrophobicContact SD-CE1 3.48Å; M3-F49 WeakPolarHBondContact SD-CE1 3.47Å; M3-F49 HydrophobicContact SD-CE2 4.3Å; M3-F49 HydrophobicContact SD-CZ 3.26Å; M3-F49 WeakPolarHBondContact SD-CZ 3.42Å
4H82.9Confident86.3Confident5 Ų554.3 Ų54.32%0.02330%0.304CS..Hα-helixtrans-66.3-49.1177.9-174.6-34.7000110M1 T2 T6 M7 T8 M87M1-H4 WeakPolarHBondContact O-CB 3.47Å; M1-H4 PolarHBondContact O-N 2.81Å; M1-H4 VanDerWaalsContact O-N 3.11Å; T2-H4 VanDerWaalsContact C-N 3.28Å; T2-H4 PolarHBondContact O-N 2.88Å; H4-T6 PolarHBondContact O-N 3.41Å; H4-M7 PolarHBondContact O-N 3.27Å; H4-T8 WeakPolarHBondContact O-CG2 3.26Å; H4-T8 PolarHBondContact O-N 2.91Å; H4-T8 PolarHBondContact O-OG1 3.28Å; H4-M87 WeakPolarHBondContact CE1-CE 3.43Å
5T84.3Confident86.8Confident44 Ų4450.8 Ų50.827%0.2728%0.284SS..Hα-helixtrans-63.8-43.1-179.655.30000111.4M1 T2 M7 T8 T9 V61 I63M1-T5 PolarHBondContact O-N 2.89Å; M1-T5 VanDerWaalsContact O-N 3.11Å; T2-T5 PolarHBondContact O-N 2.94Å; T2-T5 PolarHBondContact O-OG1 3.14Å; T5-M7 PolarHBondContact O-N 3.2Å; T5-T8 WeakPolarHBondContact CA-OG1 3.5Å; T5-T8 PolarHBondContact O-N 2.97Å; T5-T8 PolarHBondContact O-OG1 3.06Å; T5-T9 WeakPolarHBondContact O-CG2 3.34Å; T5-T9 PolarHBondContact O-N 3.05Å; T5-T9 PolarHBondContact O-OG1 2.87Å; T5-T9 VanDerWaalsContact O-OG1 3.13Å; T5-V61 HydrophobicContact CG2-CG1 3.85Å; T5-I63 HydrophobicContact CG2-CD1 3.81Å; T5-I63 HydrophobicContact CG2-CG1 3.99Å
6T87.1Confident87.1Confident74 Ų7452.4 Ų52.445%0.45429%0.291SS..Hα-helixtrans-63.2-41.6177.654.60000112.6T2 M3 H4 T9 L10T2-T6 WeakPolarHBondContact O-CG2 3.27Å; T2-T6 PolarHBondContact O-N 2.83Å; T2-T6 PolarHBondContact O-OG1 3.36Å; T2-T6 VanDerWaalsContact O-OG1 3.06Å; M3-T6 WeakPolarHBondContact CA-OG1 3.38Å; M3-T6 PolarHBondContact O-OG1 2.84Å; H4-T6 PolarHBondContact O-N 3.41Å; T6-T9 WeakPolarHBondContact CA-OG1 3.45Å; T6-T9 PolarHBondContact O-N 3.44Å; T6-T9 PolarHBondContact O-OG1 3.47Å; T6-L10 VanDerWaalsContact O-CB 3.25Å; T6-L10 WeakPolarHBondContact O-CB 3.46Å; T6-L10 PolarHBondContact O-N 2.99Å
7M87.7Confident87.4Confident49 Ų4952.4 Ų52.424%0.24129%0.294CS..Hα-helixtrans-69.2-36.7179.7-71.1-62.9-178.900111.4M3 H4 T5 L10 T11 I46 F49M3-M7 HydrophobicContact CE-CE 4.09Å; M3-M7 HydrophobicContact CG-CG 4.46Å; M3-M7 WeakPolarHBondContact O-CB 3.42Å; M3-M7 WeakPolarHBondContact O-CG 3.47Å; M3-M7 PolarHBondContact O-N 3.22Å; H4-M7 PolarHBondContact O-N 3.27Å; T5-M7 PolarHBondContact O-N 3.2Å; M7-L10 WeakPolarHBondContact O-CB 3.3Å; M7-L10 PolarHBondContact O-N 3.4Å; M7-L10 HydrophobicContact SD-CD2 4.23Å; M7-T11 WeakPolarHBondContact O-CG2 3.4Å; M7-T11 PolarHBondContact O-N 3.26Å; M7-I46 HydrophobicContact SD-CG2 4.25Å; M7-F49 HydrophobicContact CB-CD1 4.21Å; M7-F49 HydrophobicContact CG-CD1 3.69Å; M7-F49 HydrophobicContact CG-CE1 4.34Å; M7-F49 HydrophobicContact CG-CG 4.32Å
8T84.7Confident87.5Confident5 Ų549.5 Ų49.53%0.03128%0.278CS..Hα-helixtrans-71.9-34.4176.150.80000114.1H4 T5 L10 T11 L12 P50 I63 L82 M87H4-T8 WeakPolarHBondContact O-CG2 3.26Å; H4-T8 PolarHBondContact O-N 2.91Å; H4-T8 PolarHBondContact O-OG1 3.28Å; T5-T8 WeakPolarHBondContact CA-OG1 3.5Å; T5-T8 PolarHBondContact O-N 2.97Å; T5-T8 PolarHBondContact O-OG1 3.06Å; T8-L10 VanDerWaalsContact C-N 3.3Å; T8-T11 PolarHBondContact O-OG1 3.38Å; T8-L12 PolarHBondContact O-N 3.33Å; T8-P50 HydrophobicContact CG2-CB 3.52Å; T8-P50 HydrophobicContact CG2-CG 3.85Å; T8-I63 WeakPolarHBondContact OG1-CD1 3.32Å; T8-L82 HydrophobicContact CG2-CD1 3.64Å; T8-L82 HydrophobicContact CG2-CD2 4.08Å; T8-L82 HydrophobicContact CG2-CG 4.48Å; T8-L82 WeakPolarHBondContact OG1-CD1 3.2Å; T8-M87 HydrophobicContact CG2-CE 4.07Å
9T87.5Confident87.7Confident41 Ų4148.7 Ų48.725%0.25227%0.272SS..Hα-helixtrans-70.3-34.4171.554.90000110.2T5 T6 L12 T13 I63T5-T9 WeakPolarHBondContact O-CG2 3.34Å; T5-T9 PolarHBondContact O-N 3.05Å; T5-T9 PolarHBondContact O-OG1 2.87Å; T5-T9 VanDerWaalsContact O-OG1 3.13Å; T6-T9 WeakPolarHBondContact CA-OG1 3.45Å; T6-T9 PolarHBondContact O-N 3.44Å; T6-T9 PolarHBondContact O-OG1 3.47Å; T9-L12 PolarHBondContact O-N 3.44Å; T9-T13 WeakPolarHBondContact O-CB 3.28Å; T9-T13 VanDerWaalsContact O-CG2 3.23Å; T9-T13 WeakPolarHBondContact O-CG2 2.97Å; T9-T13 PolarHBondContact O-N 3.32Å; T9-T13 PolarHBondContact O-OG1 2.91Å; T9-I63 HydrophobicContact CG2-CD1 4.39Å
10L90.8Very high87.7Confident76 Ų7651 Ų5140%0.39828%0.283SS..Hα-helixtrans-62.7-42.3173.6-164.180.4000112.1T6 M7 T8 L12 T13 S14 I46T6-L10 VanDerWaalsContact O-CB 3.25Å; T6-L10 WeakPolarHBondContact O-CB 3.46Å; T6-L10 PolarHBondContact O-N 2.99Å; M7-L10 WeakPolarHBondContact O-CB 3.3Å; M7-L10 PolarHBondContact O-N 3.4Å; M7-L10 HydrophobicContact SD-CD2 4.23Å; T8-L10 VanDerWaalsContact C-N 3.3Å; L10-L12 VanDerWaalsContact C-N 3.35Å; L10-L12 PolarHBondContact O-N 3.43Å; L10-T13 WeakPolarHBondContact CA-OG1 3.41Å; L10-T13 PolarHBondContact O-N 2.7Å; L10-T13 PolarHBondContact O-OG1 3.28Å; L10-S14 WeakPolarHBondContact O-CB 3.44Å; L10-S14 PolarHBondContact O-N 3.47Å; L10-S14 PolarHBondContact O-OG 3.19Å; L10-I46 HydrophobicContact CB-CG2 4.24Å; L10-I46 HydrophobicContact CD2-CD1 3.72Å; L10-I46 HydrophobicContact CD2-CG1 4.12Å; L10-I46 HydrophobicContact CD2-CG2 3.72Å; L10-I46 HydrophobicContact CG-CD1 4.27Å; L10-I46 HydrophobicContact CG-CG2 4.27Å
11T89.6Confident87.6Confident5 Ų551.1 Ų51.13%0.03129%0.286CS..Hα-helixtrans-60.4-43.2177.855.80000112.3M7 T8 S14 I46 S47M7-T11 WeakPolarHBondContact O-CG2 3.4Å; M7-T11 PolarHBondContact O-N 3.26Å; T8-T11 PolarHBondContact O-OG1 3.38Å; T11-S14 PolarHBondContact O-OG 2.65Å; T11-S14 VanDerWaalsContact O-OG 3.1Å; T11-I46 HydrophobicContact CG2-CB 4.19Å; T11-I46 HydrophobicContact CG2-CG2 3.61Å; T11-S47 VanDerWaalsContact CG2-CA 3.46Å
12L87.6Confident87.9Confident27 Ų2746.1 Ų46.114%0.14126%0.263CS..Hα-helixtrans-72.8-42.4-179.8-65.6175.4000111.9T8 T9 L10 F80 L129T8-L12 PolarHBondContact O-N 3.33Å; T9-L12 PolarHBondContact O-N 3.44Å; L10-L12 VanDerWaalsContact C-N 3.35Å; L10-L12 PolarHBondContact O-N 3.43Å; L12-F80 HydrophobicContact CD1-CD1 3.86Å; L12-F80 HydrophobicContact CD1-CD2 4.17Å; L12-F80 HydrophobicContact CD1-CE1 3.66Å; L12-F80 HydrophobicContact CD1-CE2 3.97Å; L12-F80 HydrophobicContact CD1-CG 4.1Å; L12-F80 HydrophobicContact CD1-CZ 3.7Å; L12-L129 HydrophobicContact CD2-CB 4.01Å
13T90.4Very high87.9Confident75 Ų7547 Ų4746%0.4626%0.262SS..Hα-helixtrans-75.5-31.6-17654.30000113.4T9 L10 L15 I16 P17T9-T13 WeakPolarHBondContact O-CB 3.28Å; T9-T13 VanDerWaalsContact O-CG2 3.23Å; T9-T13 WeakPolarHBondContact O-CG2 2.97Å; T9-T13 PolarHBondContact O-N 3.32Å; T9-T13 PolarHBondContact O-OG1 2.91Å; L10-T13 WeakPolarHBondContact CA-OG1 3.41Å; L10-T13 PolarHBondContact O-N 2.7Å; L10-T13 PolarHBondContact O-OG1 3.28Å; T13-L15 PolarHBondContact O-N 3.24Å; T13-L15 VanDerWaalsContact O-N 3.11Å; T13-I16 WeakPolarHBondContact O-CB 3.12Å; T13-I16 PolarHBondContact O-N 2.72Å; T13-I16 VanDerWaalsContact O-N 3.08Å; T13-P17 VanDerWaalsContact O-CD 3.23Å; T13-P17 WeakPolarHBondContact O-CD 3.44Å
14S93.1Very high87.8Confident23 Ų2348 Ų4816%0.16127%0.273CS..THydrogen-bonded Turntrans-63.7-15.4-179.9510000114.5L10 T11 P17 I39 T43L10-S14 WeakPolarHBondContact O-CB 3.44Å; L10-S14 PolarHBondContact O-N 3.47Å; L10-S14 PolarHBondContact O-OG 3.19Å; T11-S14 PolarHBondContact O-OG 2.65Å; T11-S14 VanDerWaalsContact O-OG 3.1Å; S14-P17 WeakPolarHBondContact O-CD 3.17Å; S14-I39 WeakPolarHBondContact O-CG2 3.44Å; S14-T43 WeakPolarHBondContact OG-CG2 3.37Å
15L93.6Very high87.4Confident2 Ų252 Ų521%0.0130%0.295CS..THydrogen-bonded Turntrans-85.9-14176.1-64.5165000113.9T13 P18 V40 T43 L94 L122 L125 I126 L129T13-L15 PolarHBondContact O-N 3.24Å; T13-L15 VanDerWaalsContact O-N 3.11Å; L15-P18 WeakPolarHBondContact O-CD 3.31Å; L15-V40 HydrophobicContact CD2-CG2 4.18Å; L15-T43 HydrophobicContact CD2-CG2 3.67Å; L15-T43 HydrophobicContact CG-CG2 3.95Å; L15-L94 HydrophobicContact CD1-CD2 4.46Å; L15-L122 HydrophobicContact CB-CD1 4.47Å; L15-L122 HydrophobicContact CD2-CD1 3.96Å; L15-L125 HydrophobicContact CD1-CD2 3.4Å; L15-L125 VanDerWaalsContact CD1-CD2 3.4Å; L15-L125 HydrophobicContact CD2-CD2 3.69Å; L15-L125 HydrophobicContact CG-CD2 4.11Å; L15-I126 HydrophobicContact CB-CD1 3.93Å; L15-I126 HydrophobicContact CB-CG1 3.84Å; L15-I126 HydrophobicContact CD1-CG1 4.32Å; L15-L129 HydrophobicContact CD1-CD1 3.27Å
16I92.4Very high86.5Confident77 Ų7754.4 Ų54.440%0.39531%0.311SS..Hα-helixtrans-76.3-39.8-177.8-57.7173.4000113.4T13 P18 I19 L20T13-I16 WeakPolarHBondContact O-CB 3.12Å; T13-I16 PolarHBondContact O-N 2.72Å; T13-I16 VanDerWaalsContact O-N 3.08Å; I16-P18 VanDerWaalsContact C-CD 3.47Å; I16-I19 WeakPolarHBondContact O-CB 3.09Å; I16-I19 PolarHBondContact O-N 2.94Å; I16-L20 HydrophobicContact CG2-CD1 3.84Å; I16-L20 HydrophobicContact CG2-CG 3.97Å; I16-L20 PolarHBondContact O-N 3.26Å; I16-L20 VanDerWaalsContact O-N 3.17Å
17P91.3Very high85.2Confident52 Ų5257.1 Ų57.134%0.33832%0.323SS..Hα-helixtrans-51.8-44.3-177.1-25.631000115.3T13 S14 I19 L20 T21T13-P17 VanDerWaalsContact O-CD 3.23Å; T13-P17 WeakPolarHBondContact O-CD 3.44Å; S14-P17 WeakPolarHBondContact O-CD 3.17Å; P17-I19 VanDerWaalsContact C-N 3.27Å; P17-I19 PolarHBondContact O-N 3.3Å; P17-L20 PolarHBondContact O-N 3.2Å; P17-T21 WeakPolarHBondContact O-CG2 3.2Å; P17-T21 PolarHBondContact O-N 2.78Å
18P90.4Very high83.9Confident0 Ų062.3 Ų62.30%034%0.344CS..Hα-helixtrans-58.6-38.6177.1-12.820.4000113.3L15 I16 T21 T22 Y32 Y35 V36 I39 L122L15-P18 WeakPolarHBondContact O-CD 3.31Å; I16-P18 VanDerWaalsContact C-CD 3.47Å; P18-T21 WeakPolarHBondContact CA-OG1 3.3Å; P18-T21 PolarHBondContact O-N 2.91Å; P18-T21 PolarHBondContact O-OG1 3.47Å; P18-T22 PolarHBondContact O-N 3.4Å; P18-Y32 HydrophobicContact CB-CE2 4.21Å; P18-Y35 HydrophobicContact CB-CD1 4.35Å; P18-Y35 HydrophobicContact CB-CE1 3.98Å; P18-Y35 HydrophobicContact CG-CE1 4.21Å; P18-V36 HydrophobicContact CB-CG2 3.97Å; P18-I39 HydrophobicContact CG-CB 4.36Å; P18-I39 HydrophobicContact CG-CD1 3.56Å; P18-I39 HydrophobicContact CG-CG2 4.07Å; P18-L122 HydrophobicContact CB-CD2 3.52Å; P18-L122 HydrophobicContact CG-CD2 3.69Å
19I90.8Very high82.8Confident35 Ų3569.9 Ų69.918%0.17938%0.377CS..Hα-helixtrans-65.1-46.8177.6-61.3173000110I16 P17 T21 T22 L23 L122 I123 I126I16-I19 WeakPolarHBondContact O-CB 3.09Å; I16-I19 PolarHBondContact O-N 2.94Å; P17-I19 VanDerWaalsContact C-N 3.27Å; P17-I19 PolarHBondContact O-N 3.3Å; I19-T21 VanDerWaalsContact C-N 3.28Å; I19-T21 PolarHBondContact O-N 3.32Å; I19-T22 PolarHBondContact O-N 3.01Å; I19-T22 VanDerWaalsContact O-N 3.11Å; I19-T22 PolarHBondContact O-OG1 2.97Å; I19-L23 PolarHBondContact O-N 3.42Å; I19-L122 HydrophobicContact CD1-CD2 4.27Å; I19-L122 HydrophobicContact CD1-CG 4.37Å; I19-L122 HydrophobicContact CG1-CD2 3.73Å; I19-L122 HydrophobicContact CG1-CG 4.31Å; I19-I123 HydrophobicContact CD1-CG1 3.7Å; I19-I123 HydrophobicContact CG1-CG1 4.26Å; I19-I126 HydrophobicContact CD1-CD1 3.26Å; I19-I126 HydrophobicContact CG1-CD1 4.46Å
20L88.3Confident81.5Confident93 Ų9375 Ų7549%0.48740%0.403SS..Hα-helixtrans-59.2-39.4176.8-66.4174.5000111.9I16 P17 T22 L23 V24I16-L20 HydrophobicContact CG2-CD1 3.84Å; I16-L20 HydrophobicContact CG2-CG 3.97Å; I16-L20 PolarHBondContact O-N 3.26Å; I16-L20 VanDerWaalsContact O-N 3.17Å; P17-L20 PolarHBondContact O-N 3.2Å; L20-T22 VanDerWaalsContact C-N 3.27Å; L20-T22 PolarHBondContact O-N 2.69Å; L20-L23 HydrophobicContact CD2-CD1 4.32Å; L20-L23 WeakPolarHBondContact O-CB 3.29Å; L20-L23 PolarHBondContact O-N 3.4Å; L20-L23 VanDerWaalsContact O-N 3.08Å; L20-V24 PolarHBondContact O-N 3Å; L20-V24 VanDerWaalsContact O-N 3.15Å
21T85.1Confident81Confident55 Ų5575.6 Ų75.634%0.33741%0.413SS..Hα-helixtrans-61.8-35177.761.60000112.8P17 P18 I19 L23 V24 N25 Y35P17-T21 WeakPolarHBondContact O-CG2 3.2Å; P17-T21 PolarHBondContact O-N 2.78Å; P18-T21 WeakPolarHBondContact CA-OG1 3.3Å; P18-T21 PolarHBondContact O-N 2.91Å; P18-T21 PolarHBondContact O-OG1 3.47Å; I19-T21 VanDerWaalsContact C-N 3.28Å; I19-T21 PolarHBondContact O-N 3.32Å; T21-L23 VanDerWaalsContact C-N 3.29Å; T21-L23 PolarHBondContact O-N 3.33Å; T21-V24 PolarHBondContact O-N 3.2Å; T21-N25 PolarHBondContact O-N 3.4Å; T21-Y35 HydrophobicContact CG2-CE1 4.26Å
22T83.1Confident81Confident29 Ų2976.3 Ų76.318%0.17842%0.415CS..Hα-helixtrans-69.4-26.4176.165.90000113.4P18 I19 L20 Y32 K119P18-T22 PolarHBondContact O-N 3.4Å; I19-T22 PolarHBondContact O-N 3.01Å; I19-T22 VanDerWaalsContact O-N 3.11Å; I19-T22 PolarHBondContact O-OG1 2.97Å; L20-T22 VanDerWaalsContact C-N 3.27Å; L20-T22 PolarHBondContact O-N 2.69Å; T22-Y32 HydrophobicContact CG2-CD2 4.14Å; T22-Y32 HydrophobicContact CG2-CE1 4.18Å; T22-Y32 HydrophobicContact CG2-CE2 3.35Å; T22-Y32 WeakPolarHBondContact CG2-OH 3.22Å; T22-K119 HydrophobicContact CG2-CD 4.21Å; T22-K119 WeakPolarHBondContact OG1-CD 3.11Å
23L82.9Confident81.2Confident130 Ų13075.4 Ų75.468%0.68141%0.411SS*.Hα-helixtrans-75.5-39.1175.7-65.7171.5000111.6I19 L20 T21I19-L23 PolarHBondContact O-N 3.42Å; L20-L23 HydrophobicContact CD2-CD1 4.32Å; L20-L23 WeakPolarHBondContact O-CB 3.29Å; L20-L23 PolarHBondContact O-N 3.4Å; L20-L23 VanDerWaalsContact O-N 3.08Å; T21-L23 VanDerWaalsContact C-N 3.29Å; T21-L23 PolarHBondContact O-N 3.33Å
24V80.8Confident81.3Confident110 Ų11076.8 Ų76.867%0.66741%0.412SS*.Hα-helixtrans-77.4-42-177.7178.70000112L20 T21L20-V24 PolarHBondContact O-N 3Å; L20-V24 VanDerWaalsContact O-N 3.15Å; T21-V24 PolarHBondContact O-N 3.2Å
25N74.1Confident81.3Confident89 Ų8979.7 Ų79.748%0.47642%0.42SS..  trans-135.182.7-175.6-79.8-39.5000111.4T21 N27T21-N25 PolarHBondContact O-N 3.4Å; N25-N27 PolarHBondContact O-N 2.98Å; N25-N27 VanDerWaalsContact O-N 3.13Å
26P65.1Low81.3Confident96 Ų9679.6 Ų79.662%0.62342%0.419SS*.THydrogen-bonded Turntrans-64.5-19.6-178.725.9-34.4000113.4
27N60.8Low81.5Confident131 Ų13177.9 Ų77.970%0.70141%0.409SS*.THydrogen-bonded Turntrans-103.53.4-166.8-70.8-11.9000115.9N25 K29N25-N27 PolarHBondContact O-N 2.98Å; N25-N27 VanDerWaalsContact O-N 3.13Å; N27-K29 WeakPolarHBondContact O-CG 3.16Å; N27-K29 PolarHBondContact O-N 2.96Å
28K59.1Low81.7Confident158 Ų15878.4 Ų78.469%0.68741%0.414SS*.  trans-78117.2176-82.7-172.4177.6-179.40110.6
29K61.8Low81.9Confident163 Ų16379.2 Ų79.271%0.70942%0.418SS*.  trans-96.6-22.2-148-96.9170.6179-178.50119.2N27N27-K29 WeakPolarHBondContact O-CG 3.16Å; N27-K29 PolarHBondContact O-N 2.96Å
30N60.5Low82.1Confident150 Ų15077.6 Ų77.680%0.80241%0.41SS*.SBendtrans-123.1-20.5-167.8-70.34.9000117.8
31S80.8Confident82.5Confident87 Ų8774 Ų7461%0.60839%0.394SS*.SBendtrans-110.7-0.4-172.259.20000115.5H34 Y35S31-H34 PolarHBondContact O-N 3.26Å; S31-Y35 WeakPolarHBondContact O-CB 3.43Å; S31-Y35 PolarHBondContact O-N 3.49Å
32Y89.7Confident83Confident21 Ų2173.8 Ų73.88%0.08239%0.394CS..Hα-helixtrans-59.3-45.4-177.1177.7-98.2000113.7P18 T22 H34 Y35 V36 N115 F118P18-Y32 HydrophobicContact CB-CE2 4.21Å; T22-Y32 HydrophobicContact CG2-CD2 4.14Å; T22-Y32 HydrophobicContact CG2-CE1 4.18Å; T22-Y32 HydrophobicContact CG2-CE2 3.35Å; T22-Y32 WeakPolarHBondContact CG2-OH 3.22Å; Y32-H34 VanDerWaalsContact C-N 3.32Å; Y32-H34 PolarHBondContact O-N 3.25Å; Y32-Y35 HydrophobicContact CD2-CD1 4.37Å; Y32-Y35 WeakPolarHBondContact O-CB 3.17Å; Y32-Y35 PolarHBondContact O-N 3.46Å; Y32-Y35 VanDerWaalsContact O-N 3.14Å; Y32-V36 HydrophobicContact CD1-CG2 4.03Å; Y32-V36 HydrophobicContact CD2-CG2 4.18Å; Y32-V36 HydrophobicContact CE1-CG2 3.53Å; Y32-V36 HydrophobicContact CE2-CG2 3.68Å; Y32-V36 HydrophobicContact CG-CG2 4.34Å; Y32-V36 WeakPolarHBondContact O-CG2 3.47Å; Y32-V36 PolarHBondContact O-N 2.84Å; Y32-N115 HydrophobicContact CD1-CB 3.93Å; Y32-N115 WeakPolarHBondContact CE1-O 3.1Å; Y32-F118 HydrophobicContact CD1-CB 4.38Å; Y32-F118 HydrophobicContact CE1-CB 3.94Å
33P91.9Very high83.6Confident7 Ų772.4 Ų72.45%0.04539%0.386CS..Hα-helixtrans-61.6-39.6179.3-27.540.1000112.8K37 L105 I114 N115 F118P33-K37 WeakPolarHBondContact O-CB 3.46Å; P33-K37 PolarHBondContact O-N 2.89Å; P33-L105 HydrophobicContact CB-CD2 3.27Å; P33-L105 HydrophobicContact CG-CD2 4.45Å; P33-I114 HydrophobicContact CG-CD1 4.39Å; P33-I114 HydrophobicContact CG-CG1 4.28Å; P33-I114 HydrophobicContact CG-CG2 4.18Å; P33-N115 VanDerWaalsContact CD-OD1 3.28Å; P33-N115 WeakPolarHBondContact CD-OD1 3.35Å; P33-N115 WeakPolarHBondContact CG-OD1 3.32Å; P33-F118 HydrophobicContact CB-CD1 4.13Å; P33-F118 HydrophobicContact CB-CD2 3.89Å; P33-F118 HydrophobicContact CB-CE1 4Å; P33-F118 HydrophobicContact CB-CE2 3.76Å; P33-F118 HydrophobicContact CB-CG 4.07Å; P33-F118 HydrophobicContact CB-CZ 3.8Å; P33-F118 HydrophobicContact CG-CD2 4.2Å; P33-F118 HydrophobicContact CG-CE2 4.35Å
34H92.7Very high84.3Confident104 Ų10467.6 Ų67.648%0.48136%0.36SS..Hα-helixtrans-66.8-39.7174.7-71.7-71.8000112.3S31 Y32 K37 S38S31-H34 PolarHBondContact O-N 3.26Å; Y32-H34 VanDerWaalsContact C-N 3.32Å; Y32-H34 PolarHBondContact O-N 3.25Å; H34-K37 PolarHBondContact O-N 3.05Å; H34-S38 WeakPolarHBondContact O-CB 3.05Å; H34-S38 PolarHBondContact O-N 2.64Å; H34-S38 PolarHBondContact O-OG 3.37Å
35Y92.4Very high85Confident84 Ų8467.9 Ų67.933%0.32936%0.356SS..Hα-helixtrans-60.6-49.7174.7173.1-118.8000111.4P18 T21 S31 Y32 K37 S38 I39P18-Y35 HydrophobicContact CB-CD1 4.35Å; P18-Y35 HydrophobicContact CB-CE1 3.98Å; P18-Y35 HydrophobicContact CG-CE1 4.21Å; T21-Y35 HydrophobicContact CG2-CE1 4.26Å; S31-Y35 WeakPolarHBondContact O-CB 3.43Å; S31-Y35 PolarHBondContact O-N 3.49Å; Y32-Y35 HydrophobicContact CD2-CD1 4.37Å; Y32-Y35 WeakPolarHBondContact O-CB 3.17Å; Y32-Y35 PolarHBondContact O-N 3.46Å; Y32-Y35 VanDerWaalsContact O-N 3.14Å; Y35-K37 PolarHBondContact O-N 2.99Å; Y35-S38 PolarHBondContact O-N 2.95Å; Y35-S38 VanDerWaalsContact O-N 3.17Å; Y35-S38 PolarHBondContact O-OG 3.34Å; Y35-I39 HydrophobicContact CD1-CD1 4.24Å; Y35-I39 HydrophobicContact CD2-CD1 3.89Å; Y35-I39 HydrophobicContact CD2-CG1 4.42Å; Y35-I39 HydrophobicContact CE1-CD1 3.68Å; Y35-I39 HydrophobicContact CE2-CD1 3.26Å; Y35-I39 HydrophobicContact CE2-CG1 4.08Å; Y35-I39 HydrophobicContact CG-CD1 4.35Å; Y35-I39 PolarHBondContact O-N 2.99Å; Y35-I39 WeakPolarHBondContact OH-CD1 3.42Å
36V94.2Very high85.9Confident0 Ų065.5 Ų65.50%034%0.343CS..Hα-helixtrans-59.9-45.7176.8-178.30000111P18 Y32 S38 I39 V40 M101 F118 L122P18-V36 HydrophobicContact CB-CG2 3.97Å; Y32-V36 HydrophobicContact CD1-CG2 4.03Å; Y32-V36 HydrophobicContact CD2-CG2 4.18Å; Y32-V36 HydrophobicContact CE1-CG2 3.53Å; Y32-V36 HydrophobicContact CE2-CG2 3.68Å; Y32-V36 HydrophobicContact CG-CG2 4.34Å; Y32-V36 WeakPolarHBondContact O-CG2 3.47Å; Y32-V36 PolarHBondContact O-N 2.84Å; V36-S38 VanDerWaalsContact C-N 3.32Å; V36-S38 PolarHBondContact O-N 3.26Å; V36-I39 PolarHBondContact O-N 3.43Å; V36-V40 HydrophobicContact CG1-CG2 4.41Å; V36-V40 WeakPolarHBondContact O-CG2 3.4Å; V36-V40 PolarHBondContact O-N 2.73Å; V36-M101 HydrophobicContact CG1-CE 3.56Å; V36-F118 HydrophobicContact CB-CD1 4.28Å; V36-F118 HydrophobicContact CG1-CD1 4.42Å; V36-L122 HydrophobicContact CG1-CB 4.36Å; V36-L122 HydrophobicContact CG1-CD1 4.28Å; V36-L122 HydrophobicContact CG1-CD2 4.17Å
37K95.3Very high87.4Confident41 Ų4161 Ų6118%0.17831%0.314CS..Hα-helixtrans-54.9-48175.1177-163.3169.5-176.60111.3P33 H34 Y35 I39 V40 A41 E102 L105P33-K37 WeakPolarHBondContact O-CB 3.46Å; P33-K37 PolarHBondContact O-N 2.89Å; H34-K37 PolarHBondContact O-N 3.05Å; Y35-K37 PolarHBondContact O-N 2.99Å; K37-I39 VanDerWaalsContact C-N 3.31Å; K37-I39 PolarHBondContact O-N 3.06Å; K37-V40 PolarHBondContact O-N 2.81Å; K37-A41 WeakPolarHBondContact O-CB 3.45Å; K37-A41 PolarHBondContact O-N 3.47Å; K37-E102 HydrophobicContact CD-CB 4.17Å; K37-E102 HydrophobicContact CD-CG 4.31Å; K37-E102 VanDerWaalsContact CE-CD 3.43Å; K37-E102 VanDerWaalsContact CE-OE2 3.31Å; K37-E102 WeakPolarHBondContact CE-OE2 3.31Å; K37-E102 IonicContact NZ-OE1 2.67Å; K37-E102 PolarHBondContact NZ-OE1 2.8Å; K37-E102 IonicContact NZ-OE2 2.78Å; K37-E102 PolarHBondContact NZ-OE2 3.46Å; K37-L105 HydrophobicContact CD-CD1 3.99Å
38S95Very high88.9Confident63 Ų6358 Ų5844%0.44130%0.297SS..Hα-helixtrans-64-37.6-178.169.20000112.3H34 Y35 V36 A41 S42H34-S38 WeakPolarHBondContact O-CB 3.05Å; H34-S38 PolarHBondContact O-N 2.64Å; H34-S38 PolarHBondContact O-OG 3.37Å; Y35-S38 PolarHBondContact O-N 2.95Å; Y35-S38 VanDerWaalsContact O-N 3.17Å; Y35-S38 PolarHBondContact O-OG 3.34Å; V36-S38 VanDerWaalsContact C-N 3.32Å; V36-S38 PolarHBondContact O-N 3.26Å; S38-A41 PolarHBondContact O-N 3.01Å; S38-S42 PolarHBondContact O-N 3.03Å; S38-S42 PolarHBondContact O-OG 3.17Å
39I95.4Very high90.5Very high17 Ų1753.5 Ų53.59%0.08728%0.278CS..Hα-helixtrans-65.8-50.8176.1-77.1174.5000110.4S14 P18 Y35 V36 K37 A41 S42 T43S14-I39 WeakPolarHBondContact O-CG2 3.44Å; P18-I39 HydrophobicContact CG-CB 4.36Å; P18-I39 HydrophobicContact CG-CD1 3.56Å; P18-I39 HydrophobicContact CG-CG2 4.07Å; Y35-I39 HydrophobicContact CD1-CD1 4.24Å; Y35-I39 HydrophobicContact CD2-CD1 3.89Å; Y35-I39 HydrophobicContact CD2-CG1 4.42Å; Y35-I39 HydrophobicContact CE1-CD1 3.68Å; Y35-I39 HydrophobicContact CE2-CD1 3.26Å; Y35-I39 HydrophobicContact CE2-CG1 4.08Å; Y35-I39 HydrophobicContact CG-CD1 4.35Å; Y35-I39 PolarHBondContact O-N 2.99Å; Y35-I39 WeakPolarHBondContact OH-CD1 3.42Å; V36-I39 PolarHBondContact O-N 3.43Å; K37-I39 VanDerWaalsContact C-N 3.31Å; K37-I39 PolarHBondContact O-N 3.06Å; I39-A41 PolarHBondContact O-N 2.85Å; I39-S42 WeakPolarHBondContact CA-OG 3.23Å; I39-S42 CarbonylContact O-C 3.47Å; I39-S42 WeakPolarHBondContact O-CA 3.46Å; I39-S42 PolarHBondContact O-N 2.95Å; I39-S42 PolarHBondContact O-OG 3.46Å; I39-T43 HydrophobicContact CG2-CG2 3.98Å; I39-T43 WeakPolarHBondContact O-CG2 3.04Å; I39-T43 PolarHBondContact O-N 2.89Å
40V96.1Very high91.9Very high1 Ų146 Ų461%0.00625%0.245CC..Hα-helixtrans-59.3-36.3178.1178.90000111.7L15 V36 K37 T43 F44 L94 W98 L122L15-V40 HydrophobicContact CD2-CG2 4.18Å; V36-V40 HydrophobicContact CG1-CG2 4.41Å; V36-V40 WeakPolarHBondContact O-CG2 3.4Å; V36-V40 PolarHBondContact O-N 2.73Å; K37-V40 PolarHBondContact O-N 2.81Å; V40-T43 WeakPolarHBondContact CA-OG1 3.43Å; V40-T43 PolarHBondContact O-N 2.81Å; V40-T43 PolarHBondContact O-OG1 3.45Å; V40-F44 WeakPolarHBondContact O-CB 3.31Å; V40-F44 PolarHBondContact O-N 3.17Å; V40-L94 HydrophobicContact CG1-CD2 4.47Å; V40-W98 HydrophobicContact CG1-CB 4.09Å; V40-L122 HydrophobicContact CG2-CD1 4.19Å
41A96.2Very high93.4Very high18 Ų1839.5 Ų39.515%0.14921%0.212CC..Hα-helixtrans-65.1-42.8173.800000112.2K37 S38 I39 F44 I45 W98K37-A41 WeakPolarHBondContact O-CB 3.45Å; K37-A41 PolarHBondContact O-N 3.47Å; S38-A41 PolarHBondContact O-N 3.01Å; I39-A41 PolarHBondContact O-N 2.85Å; A41-F44 WeakPolarHBondContact O-CB 3.34Å; A41-F44 PolarHBondContact O-N 3.16Å; A41-I45 WeakPolarHBondContact O-CG1 3.39Å; A41-I45 PolarHBondContact O-N 3.4Å; A41-W98 HydrophobicContact CB-CD2 4.23Å; A41-W98 HydrophobicContact CB-CG 4.25Å; A41-W98 HydrophobicContact CB-CZ2 4.41Å
42S95.6Very high93.8Very high50 Ų5038.9 Ų38.935%0.3520%0.204SC..Hα-helixtrans-66.8-38.6175.971.50000112.4S38 I39 F44 I45 I46S38-S42 PolarHBondContact O-N 3.03Å; S38-S42 PolarHBondContact O-OG 3.17Å; I39-S42 WeakPolarHBondContact CA-OG 3.23Å; I39-S42 CarbonylContact O-C 3.47Å; I39-S42 WeakPolarHBondContact O-CA 3.46Å; I39-S42 PolarHBondContact O-N 2.95Å; I39-S42 PolarHBondContact O-OG 3.46Å; S42-F44 VanDerWaalsContact C-N 3.33Å; S42-F44 PolarHBondContact O-N 3.02Å; S42-I45 PolarHBondContact O-N 3.13Å; S42-I46 VanDerWaalsContact O-CG1 3.3Å; S42-I46 WeakPolarHBondContact O-CG1 3.43Å; S42-I46 PolarHBondContact O-N 3.41Å
43T95.9Very high93.9Very high0 Ų040.5 Ų40.50%021%0.213CC..Hα-helixtrans-66.9-36.5178690000111.2S14 L15 I39 V40 I46 S47 L94S14-T43 WeakPolarHBondContact OG-CG2 3.37Å; L15-T43 HydrophobicContact CD2-CG2 3.67Å; L15-T43 HydrophobicContact CG-CG2 3.95Å; I39-T43 HydrophobicContact CG2-CG2 3.98Å; I39-T43 WeakPolarHBondContact O-CG2 3.04Å; I39-T43 PolarHBondContact O-N 2.89Å; V40-T43 WeakPolarHBondContact CA-OG1 3.43Å; V40-T43 PolarHBondContact O-N 2.81Å; V40-T43 PolarHBondContact O-OG1 3.45Å; T43-I46 PolarHBondContact O-N 3.01Å; T43-S47 WeakPolarHBondContact O-CB 3.39Å; T43-S47 PolarHBondContact O-N 3.07Å; T43-L94 WeakPolarHBondContact OG1-CD2 3.19Å
44F96.1Very high93.8Very high30 Ų3040.5 Ų40.513%0.13221%0.213CC..Hα-helixtrans-57.8-49.4171169-107.1000111.3V40 A41 S42 I46 S47 L48 P91 L94 F95 W98V40-F44 WeakPolarHBondContact O-CB 3.31Å; V40-F44 PolarHBondContact O-N 3.17Å; A41-F44 WeakPolarHBondContact O-CB 3.34Å; A41-F44 PolarHBondContact O-N 3.16Å; S42-F44 VanDerWaalsContact C-N 3.33Å; S42-F44 PolarHBondContact O-N 3.02Å; F44-I46 VanDerWaalsContact C-N 3.34Å; F44-I46 PolarHBondContact O-N 3.19Å; F44-S47 PolarHBondContact O-N 3.46Å; F44-S47 VanDerWaalsContact O-N 3.1Å; F44-S47 PolarHBondContact O-OG 3.16Å; F44-L48 HydrophobicContact CE1-CD1 3.9Å; F44-L48 HydrophobicContact CE1-CG 4.49Å; F44-L48 HydrophobicContact CE2-CD2 4.08Å; F44-L48 HydrophobicContact CE2-CG 4.31Å; F44-L48 HydrophobicContact CZ-CD1 3.87Å; F44-L48 HydrophobicContact CZ-CD2 4.04Å; F44-L48 HydrophobicContact CZ-CG 4.15Å; F44-L48 PolarHBondContact O-N 3.07Å; F44-P91 HydrophobicContact CD2-CB 4.29Å; F44-P91 HydrophobicContact CE2-CB 4.01Å; F44-L94 HydrophobicContact CB-CB 4.01Å; F44-L94 HydrophobicContact CD2-CB 4.18Å; F44-F95 HydrophobicContact CD2-CB 3.98Å; F44-F95 HydrophobicContact CE1-CD2 4.12Å; F44-F95 HydrophobicContact CE2-CB 3.74Å; F44-F95 HydrophobicContact CE2-CD2 4Å; F44-F95 HydrophobicContact CE2-CG 4.33Å; F44-F95 HydrophobicContact CZ-CB 4.36Å; F44-F95 AromaticContact CZ-CD2 3.73Å; F44-F95 HydrophobicContact CZ-CD2 3.73Å; F44-F95 HydrophobicContact CZ-CG 4.49Å; F44-W98 HydrophobicContact CD1-CE3 4.43Å; F44-W98 HydrophobicContact CD1-CZ3 4.46Å
45I95.3Very high93.6Very high116 Ų11638 Ų3860%0.59520%0.202SC*.Hα-helixtrans-61.1-44.2178.9-64.4166.6000110.9A41 S42 S47 L48A41-I45 WeakPolarHBondContact O-CG1 3.39Å; A41-I45 PolarHBondContact O-N 3.4Å; S42-I45 PolarHBondContact O-N 3.13Å; I45-S47 VanDerWaalsContact C-N 3.27Å; I45-S47 PolarHBondContact O-N 3.25Å; I45-L48 PolarHBondContact O-N 3.39Å
46I94.7Very high93.5Very high39 Ų3939 Ų3920%0.222%0.219CC..Hα-helixtrans-60.5-39.9176-65.4161.1000110.6M7 L10 T11 S42 T43 F44 L48 F49 P50M7-I46 HydrophobicContact SD-CG2 4.25Å; L10-I46 HydrophobicContact CB-CG2 4.24Å; L10-I46 HydrophobicContact CD2-CD1 3.72Å; L10-I46 HydrophobicContact CD2-CG1 4.12Å; L10-I46 HydrophobicContact CD2-CG2 3.72Å; L10-I46 HydrophobicContact CG-CD1 4.27Å; L10-I46 HydrophobicContact CG-CG2 4.27Å; T11-I46 HydrophobicContact CG2-CB 4.19Å; T11-I46 HydrophobicContact CG2-CG2 3.61Å; S42-I46 VanDerWaalsContact O-CG1 3.3Å; S42-I46 WeakPolarHBondContact O-CG1 3.43Å; S42-I46 PolarHBondContact O-N 3.41Å; T43-I46 PolarHBondContact O-N 3.01Å; F44-I46 VanDerWaalsContact C-N 3.34Å; F44-I46 PolarHBondContact O-N 3.19Å; I46-L48 VanDerWaalsContact C-N 3.26Å; I46-L48 PolarHBondContact O-N 3.42Å; I46-F49 PolarHBondContact O-N 2.97Å; I46-P50 WeakPolarHBondContact O-CD 3.35Å
47S95.3Very high93.2Very high1 Ų144 Ų441%0.00725%0.246CC..Hα-helixtrans-68.1-22.8-178.976.60000114.2T11 T43 F44 I45 F49 P50 T51T11-S47 VanDerWaalsContact CG2-CA 3.46Å; T43-S47 WeakPolarHBondContact O-CB 3.39Å; T43-S47 PolarHBondContact O-N 3.07Å; F44-S47 PolarHBondContact O-N 3.46Å; F44-S47 VanDerWaalsContact O-N 3.1Å; F44-S47 PolarHBondContact O-OG 3.16Å; I45-S47 VanDerWaalsContact C-N 3.27Å; I45-S47 PolarHBondContact O-N 3.25Å; S47-F49 VanDerWaalsContact C-N 3.26Å; S47-F49 PolarHBondContact O-N 3.37Å; S47-P50 WeakPolarHBondContact O-CD 3.33Å; S47-P50 VanDerWaalsContact O-CG 3.27Å; S47-P50 WeakPolarHBondContact O-CG 3.44Å; S47-T51 WeakPolarHBondContact O-CG2 3.27Å; S47-T51 PolarHBondContact O-N 3.38Å; S47-T51 PolarHBondContact O-OG1 2.65Å
48L93.3Very high92.9Very high67 Ų6746.3 Ų46.335%0.35126%0.26SS..Hα-helixtrans-65.7-33175.4-69173.3000111.6F44 I45 I46 T51 T52 P91F44-L48 HydrophobicContact CE1-CD1 3.9Å; F44-L48 HydrophobicContact CE1-CG 4.49Å; F44-L48 HydrophobicContact CE2-CD2 4.08Å; F44-L48 HydrophobicContact CE2-CG 4.31Å; F44-L48 HydrophobicContact CZ-CD1 3.87Å; F44-L48 HydrophobicContact CZ-CD2 4.04Å; F44-L48 HydrophobicContact CZ-CG 4.15Å; F44-L48 PolarHBondContact O-N 3.07Å; I45-L48 PolarHBondContact O-N 3.39Å; I46-L48 VanDerWaalsContact C-N 3.26Å; I46-L48 PolarHBondContact O-N 3.42Å; L48-T51 VanDerWaalsContact C-OG1 3.32Å; L48-T51 VanDerWaalsContact CA-OG1 3.3Å; L48-T51 WeakPolarHBondContact CA-OG1 3.27Å; L48-T51 PolarHBondContact O-N 3.22Å; L48-T51 PolarHBondContact O-OG1 3.1Å; L48-T52 WeakPolarHBondContact O-CG2 3.16Å; L48-T52 PolarHBondContact O-N 3.47Å; L48-T52 PolarHBondContact O-OG1 3.01Å; L48-P91 HydrophobicContact CD2-CB 4.2Å
49F92.1Very high92.5Very high65 Ų6545.6 Ų45.629%0.28525%0.25SC..Hα-helixtrans-61.4-52.4-179.1-169.2-86.9000114.4M3 M7 I46 S47 T51 T52 M53M3-F49 HydrophobicContact CE-CD1 4.38Å; M3-F49 HydrophobicContact CE-CD2 4.43Å; M3-F49 HydrophobicContact CE-CE1 3.55Å; M3-F49 HydrophobicContact CE-CE2 3.62Å; M3-F49 HydrophobicContact CE-CZ 3.12Å; M3-F49 HydrophobicContact CG-CE1 3.65Å; M3-F49 HydrophobicContact CG-CZ 4.1Å; M3-F49 HydrophobicContact SD-CE1 3.48Å; M3-F49 WeakPolarHBondContact SD-CE1 3.47Å; M3-F49 HydrophobicContact SD-CE2 4.3Å; M3-F49 HydrophobicContact SD-CZ 3.26Å; M3-F49 WeakPolarHBondContact SD-CZ 3.42Å; M7-F49 HydrophobicContact CB-CD1 4.21Å; M7-F49 HydrophobicContact CG-CD1 3.69Å; M7-F49 HydrophobicContact CG-CE1 4.34Å; M7-F49 HydrophobicContact CG-CG 4.32Å; I46-F49 PolarHBondContact O-N 2.97Å; S47-F49 VanDerWaalsContact C-N 3.26Å; S47-F49 PolarHBondContact O-N 3.37Å; F49-T51 PolarHBondContact O-N 3.22Å; F49-T52 PolarHBondContact O-N 3.46Å; F49-T52 PolarHBondContact O-OG1 2.92Å; F49-M53 HydrophobicContact CD1-CG 4.14Å; F49-M53 HydrophobicContact CE1-CG 3.65Å; F49-M53 HydrophobicContact CE1-SD 4.36Å; F49-M53 HydrophobicContact CZ-CG 4.01Å; F49-M53 HydrophobicContact CZ-SD 4.22Å; F49-M53 WeakPolarHBondContact O-CG 3.27Å; F49-M53 PolarHBondContact O-N 3.47Å; F49-M53 VanDerWaalsContact O-N 3.09Å
50P91.2Very high92.2Very high4 Ų449.9 Ų49.93%0.02627%0.27CS..Hα-helixtrans-63.9-31.6175.125.5-33.5000111.8T8 I46 S47 M53 F54 M87T8-P50 HydrophobicContact CG2-CB 3.52Å; T8-P50 HydrophobicContact CG2-CG 3.85Å; I46-P50 WeakPolarHBondContact O-CD 3.35Å; S47-P50 WeakPolarHBondContact O-CD 3.33Å; S47-P50 VanDerWaalsContact O-CG 3.27Å; S47-P50 WeakPolarHBondContact O-CG 3.44Å; P50-M53 PolarHBondContact O-N 3.33Å; P50-F54 WeakPolarHBondContact O-CB 3.48Å; P50-F54 PolarHBondContact O-N 3.22Å; P50-M87 HydrophobicContact CB-CE 4.48Å; P50-M87 HydrophobicContact CB-SD 4Å
51T91.6Very high91.9Very high15 Ų1550.7 Ų50.79%0.09227%0.274CS..Hα-helixtrans-68.4-41.2175.5600000113.9S47 L48 F49 M53 F54 M55 M87 P91S47-T51 WeakPolarHBondContact O-CG2 3.27Å; S47-T51 PolarHBondContact O-N 3.38Å; S47-T51 PolarHBondContact O-OG1 2.65Å; L48-T51 VanDerWaalsContact C-OG1 3.32Å; L48-T51 VanDerWaalsContact CA-OG1 3.3Å; L48-T51 WeakPolarHBondContact CA-OG1 3.27Å; L48-T51 PolarHBondContact O-N 3.22Å; L48-T51 PolarHBondContact O-OG1 3.1Å; F49-T51 PolarHBondContact O-N 3.22Å; T51-M53 VanDerWaalsContact C-N 3.31Å; T51-M53 PolarHBondContact O-N 2.98Å; T51-F54 PolarHBondContact O-N 3.4Å; T51-M55 WeakPolarHBondContact O-CG 3.31Å; T51-M55 PolarHBondContact O-N 3.12Å; T51-M87 HydrophobicContact CG2-CB 4.26Å; T51-M87 WeakPolarHBondContact CG2-O 3.3Å; T51-M87 HydrophobicContact CG2-SD 4.36Å; T51-P91 HydrophobicContact CG2-CG 3.33Å
52T90.7Very high91.6Very high74 Ų7454.2 Ų54.245%0.45429%0.29SS..Hα-helixtrans-66.9-38.1176.8530000110.8L48 F49 M55 C56L48-T52 WeakPolarHBondContact O-CG2 3.16Å; L48-T52 PolarHBondContact O-N 3.47Å; L48-T52 PolarHBondContact O-OG1 3.01Å; F49-T52 PolarHBondContact O-N 3.46Å; F49-T52 PolarHBondContact O-OG1 2.92Å; T52-M55 PolarHBondContact O-N 3.16Å; T52-C56 PolarHBondContact O-N 3.49Å; T52-C56 VanDerWaalsContact O-N 3.08Å; T52-C56 PolarHBondContact O-SG 3.3Å
53M90.2Very high91.5Very high55 Ų5552.2 Ų52.227%0.27128%0.275SS..Hα-helixtrans-61.7-43173-72.4-66.2-66.700112.2F49 P50 T51 C56 L57F49-M53 HydrophobicContact CD1-CG 4.14Å; F49-M53 HydrophobicContact CE1-CG 3.65Å; F49-M53 HydrophobicContact CE1-SD 4.36Å; F49-M53 HydrophobicContact CZ-CG 4.01Å; F49-M53 HydrophobicContact CZ-SD 4.22Å; F49-M53 WeakPolarHBondContact O-CG 3.27Å; F49-M53 PolarHBondContact O-N 3.47Å; F49-M53 VanDerWaalsContact O-N 3.09Å; P50-M53 PolarHBondContact O-N 3.33Å; T51-M53 VanDerWaalsContact C-N 3.31Å; T51-M53 PolarHBondContact O-N 2.98Å; M53-C56 PolarHBondContact O-N 2.88Å; M53-L57 HydrophobicContact CE-CD1 3.8Å; M53-L57 PolarHBondContact O-N 3.05Å; M53-L57 VanDerWaalsContact O-N 3.15Å
54F90.3Very high91.2Very high7 Ų756.2 Ų56.23%0.03130%0.303CS..Hα-helixtrans-60.6-49174.5175.7-94.7000111P50 T51 C56 L57 D58 E60 Y84 M87 M88P50-F54 WeakPolarHBondContact O-CB 3.48Å; P50-F54 PolarHBondContact O-N 3.22Å; T51-F54 PolarHBondContact O-N 3.4Å; F54-C56 PolarHBondContact O-N 3.49Å; F54-L57 PolarHBondContact O-N 3.01Å; F54-D58 VanDerWaalsContact O-CA 3.29Å; F54-D58 WeakPolarHBondContact O-CA 3.27Å; F54-D58 PolarHBondContact O-N 3.44Å; F54-E60 HydrophobicContact CE2-CG 4.21Å; F54-Y84 AromaticContact CE1-CD2 3.85Å; F54-Y84 HydrophobicContact CE1-CD2 3.85Å; F54-Y84 VanDerWaalsContact CZ-CA 3.5Å; F54-Y84 HydrophobicContact CZ-CD2 4.05Å; F54-Y84 HydrophobicContact CZ-CG 4.42Å; F54-M87 HydrophobicContact CB-CB 4.29Å; F54-M87 HydrophobicContact CB-CG 3.87Å; F54-M87 HydrophobicContact CB-SD 4.41Å; F54-M87 HydrophobicContact CD1-CB 4.08Å; F54-M87 HydrophobicContact CD1-CG 4.33Å; F54-M87 HydrophobicContact CD2-CG 4.02Å; F54-M87 HydrophobicContact CG-CB 4.03Å; F54-M87 HydrophobicContact CG-CG 3.78Å; F54-M88 HydrophobicContact CD1-CE 4.32Å; F54-M88 HydrophobicContact CE1-CE 4.16Å
55M89.1Confident90.7Very high51 Ų5159.8 Ų59.825%0.25132%0.324SS..Hα-helixtrans-59.7-28.8178.9-66.1-75.5-149.700114T51 T52 M88 N471T51-M55 WeakPolarHBondContact O-CG 3.31Å; T51-M55 PolarHBondContact O-N 3.12Å; T52-M55 PolarHBondContact O-N 3.16Å; M55-M88 HydrophobicContact CE-CE 3.13Å; M55-M88 HydrophobicContact CE-SD 3.43Å; M55-M88 WeakPolarHBondContact CE-SD 3.49Å; M55-M88 HydrophobicContact CG-CE 4.41Å; M55-M88 HydrophobicContact SD-CE 3.2Å; M55-M88 WeakPolarHBondContact SD-CE 3.48Å; M55-M88 HydrophobicContact SD-SD 4.28Å; M55-N471 HydrophobicContact CE-CB 3.52Å; M55-N471 HydrophobicContact SD-CB 3.69Å
56C89.1Confident90.5Very high104 Ų10461.5 Ų61.570%0.70332%0.323SS*.Hα-helixtrans-87.3-28.6-179.3-68.90000113.9T52 M53 F54T52-C56 PolarHBondContact O-N 3.49Å; T52-C56 VanDerWaalsContact O-N 3.08Å; T52-C56 PolarHBondContact O-SG 3.3Å; M53-C56 PolarHBondContact O-N 2.88Å; F54-C56 PolarHBondContact O-N 3.49Å
57L88.8Confident90.4Very high106 Ų10664 Ų6456%0.55533%0.333SS*.Hα-helixtrans-122-7-168.9-63.2173.7000113.7M53 F54 Q59M53-L57 HydrophobicContact CE-CD1 3.8Å; M53-L57 PolarHBondContact O-N 3.05Å; M53-L57 VanDerWaalsContact O-N 3.15Å; F54-L57 PolarHBondContact O-N 3.01Å; L57-Q59 HydrophobicContact CB-CB 4.1Å; L57-Q59 PolarHBondContact O-N 3.31Å; L57-Q59 VanDerWaalsContact O-N 3.08Å
58D88.2Confident90.2Very high90 Ų9069.9 Ų69.948%0.48136%0.355SS..  trans46.736.6-174-66.9-28000113.2F54F54-D58 VanDerWaalsContact O-CA 3.29Å; F54-D58 WeakPolarHBondContact O-CA 3.27Å; F54-D58 PolarHBondContact O-N 3.44Å
59Q86.4Confident90.2Very high47 Ų4768.5 Ų68.522%0.2235%0.353CS..  trans-97.8109.1-168.2-149-135.4-74.400111.2M1 L57 V61M1-Q59 HydrophobicContact CE-CG 4.31Å; M1-Q59 VanDerWaalsContact CE-OE1 3.26Å; M1-Q59 VanDerWaalsContact SD-CD 3.57Å; M1-Q59 PolarHBondContact SD-NE2 3.42Å; M1-Q59 PolarHBondContact SD-OE1 3.47Å; M1-Q59 VanDerWaalsContact SD-OE1 3.35Å; L57-Q59 HydrophobicContact CB-CB 4.1Å; L57-Q59 PolarHBondContact O-N 3.31Å; L57-Q59 VanDerWaalsContact O-N 3.08Å; Q59-V61 VanDerWaalsContact NE2-CG2 3.29Å
60E89.8Confident90.3Very high108 Ų10869.4 Ų69.451%0.50536%0.364SS..  trans-80.8145.6172.7-56.4-167.2163.900111.4F54 L82 D83F54-E60 HydrophobicContact CE2-CG 4.21Å; E60-L82 WeakPolarHBondContact CA-O 3.38Å; E60-D83 HydrophobicContact CG-CB 4.14Å
61V89.2Confident90.2Very high17 Ų1772.6 Ų72.610%0.10338%0.384CS..EExtended strand (participates in β ladder)trans-133142.7178.8-176.90000110.4T5 Q59 I63 L82T5-V61 HydrophobicContact CG2-CG1 3.85Å; Q59-V61 VanDerWaalsContact NE2-CG2 3.29Å; V61-I63 HydrophobicContact CG1-CG1 3.91Å; V61-L82 HydrophobicContact CB-CB 4.28Å; V61-L82 HydrophobicContact CB-CD1 4.43Å; V61-L82 PolarHBondContact N-O 3.11Å; V61-L82 WeakPolarHBondContact O-CA 3.39Å; V61-L82 VanDerWaalsContact O-CB 3.23Å; V61-L82 WeakPolarHBondContact O-CB 3.26Å; V61-L82 PolarHBondContact O-N 2.81Å
62I91.8Very high90.2Very high92 Ų9281.3 Ų81.347%0.47242%0.424SS..EExtended strand (participates in β ladder)trans-115.9126.8168.1-58.7170.6000107.5F80 K81I62-F80 WeakPolarHBondContact CA-O 3.48Å; I62-K81 HydrophobicContact CG1-CG 4.49Å
63I91.7Very high90.1Very high9 Ų982.4 Ų82.45%0.04643%0.43CS..EExtended strand (participates in β ladder)trans-113100.8-178.8-57.3-179.5000108.6T5 T8 T9 V61 N65 S79 F80 L82T5-I63 HydrophobicContact CG2-CD1 3.81Å; T5-I63 HydrophobicContact CG2-CG1 3.99Å; T8-I63 WeakPolarHBondContact OG1-CD1 3.32Å; T9-I63 HydrophobicContact CG2-CD1 4.39Å; V61-I63 HydrophobicContact CG1-CG1 3.91Å; I63-N65 HydrophobicContact CG2-CB 4.47Å; I63-N65 WeakPolarHBondContact CG2-ND2 3.02Å; I63-N65 WeakPolarHBondContact CG2-OD1 3.34Å; I63-S79 CarbonylContact O-C 3.32Å; I63-S79 VanDerWaalsContact O-CA 3.32Å; I63-S79 WeakPolarHBondContact O-CA 3.44Å; I63-F80 HydrophobicContact CB-CB 4.38Å; I63-F80 PolarHBondContact N-O 2.69Å; I63-F80 PolarHBondContact O-N 3.49Å; I63-L82 HydrophobicContact CD1-CD1 3.39Å; I63-L82 HydrophobicContact CG1-CD1 3.94Å
64S89.5Confident89.9Confident83 Ų8380.8 Ų80.858%0.5842%0.424SS*.EExtended strand (participates in β ladder)trans-99.487.6172.557.40000110
65N86.5Confident89.9Confident106 Ų10687.1 Ų87.157%0.56745%0.453SS*.EExtended strand (participates in β ladder)trans-87.5-39.7-171.1-79.1-11.8000113.7I63 L78I63-N65 HydrophobicContact CG2-CB 4.47Å; I63-N65 WeakPolarHBondContact CG2-ND2 3.02Å; I63-N65 WeakPolarHBondContact CG2-OD1 3.34Å; N65-L78 PolarHBondContact N-O 3.39Å
66W90.8Very high90Very high152 Ų15285.5 Ų85.558%0.57645%0.446SS*.EExtended strand (participates in β ladder)trans-127.5116.7-170.6-173.845.3000110.9W68 S77 L78W66-W68 AromaticContact CH2-CD1 3.58Å; W66-W68 AromaticContact CZ3-CD1 3.74Å; W66-W68 HydrophobicContact CZ3-CG 4.38Å; W66-W68 PolarHBondContact O-N 3Å; W66-S77 CarbonylContact O-C 3.5Å; W66-S77 VanDerWaalsContact O-CA 3.28Å; W66-S77 WeakPolarHBondContact O-CA 3.49Å; W66-L78 HydrophobicContact CB-CB 4.23Å; W66-L78 HydrophobicContact CE3-CB 4.41Å; W66-L78 HydrophobicContact CE3-CD1 4.31Å; W66-L78 PolarHBondContact O-N 3.46Å
67H92.8Very high90.1Very high92 Ų9282.1 Ų82.143%0.42642%0.423SS..EExtended strand (participates in β ladder)trans-74.4114.3169.5-179.3-71.5000108.9A69 T70H67-A69 VanDerWaalsContact CE1-C 3.46Å; H67-T70 WeakPolarHBondContact CE1-CG2 3.25Å; H67-T70 WeakPolarHBondContact NE2-CG2 3.41Å
68W91.4Very high90.3Very high124 Ų12480 Ų8047%0.4741%0.412SS..EExtended strand (participates in β ladder)trans-86.2-56.9-175.9-174.540.1000112W66 L76 Y138W66-W68 AromaticContact CH2-CD1 3.58Å; W66-W68 AromaticContact CZ3-CD1 3.74Å; W66-W68 HydrophobicContact CZ3-CG 4.38Å; W66-W68 PolarHBondContact O-N 3Å; W68-L76 WeakPolarHBondContact CA-O 3.27Å; W68-L76 WeakPolarHBondContact CB-O 3.17Å; W68-L76 HydrophobicContact CE3-CB 4.03Å; W68-L76 HydrophobicContact CE3-CD1 4.03Å; W68-L76 HydrophobicContact CZ3-CD1 4.03Å; W68-L76 PolarHBondContact N-O 2.98Å; W68-Y138 HydrophobicContact CE3-CE1 4.1Å; W68-Y138 AromaticContact CH2-CE1 3.55Å; W68-Y138 HydrophobicContact CH2-CE1 3.55Å; W68-Y138 AromaticContact CH2-CZ 3.76Å; W68-Y138 WeakPolarHBondContact CH2-OH 3.45Å; W68-Y138 AromaticContact CZ3-CD1 3.87Å; W68-Y138 HydrophobicContact CZ3-CD1 3.87Å; W68-Y138 AromaticContact CZ3-CE1 3.15Å; W68-Y138 HydrophobicContact CZ3-CE1 3.15Å; W68-Y138 AromaticContact CZ3-CZ 3.7Å
69A93.3Very high90.5Very high37 Ų3775.8 Ų75.831%0.30639%0.389SS..EExtended strand (participates in β ladder)trans-158.7148.9179.700000111.8H67 L76H67-A69 VanDerWaalsContact CE1-C 3.46Å; A69-L76 PolarHBondContact N-O 3.25Å; A69-L76 VanDerWaalsContact N-O 3.13Å; A69-L76 WeakPolarHBondContact O-CA 3.49Å; A69-L76 VanDerWaalsContact O-CB 3.29Å; A69-L76 WeakPolarHBondContact O-CB 3.3Å; A69-L76 PolarHBondContact O-N 3.4Å
70T93.4Very high90.9Very high84 Ų8474.8 Ų74.852%0.51539%0.385SS..EExtended strand (participates in β ladder)trans-107.3118.4168.7470000110H67 Q75H67-T70 WeakPolarHBondContact CE1-CG2 3.25Å; H67-T70 WeakPolarHBondContact NE2-CG2 3.41Å; T70-Q75 HydrophobicContact CG2-CG 3.92Å
71T90.6Very high91Very high72 Ų7271.5 Ų71.544%0.44237%0.369SS..EExtended strand (participates in β ladder)trans-105.996.7172.139.50000109.7T73 T74T71-T73 PolarHBondContact O-N 2.94Å; T71-T74 PolarHBondContact N-O 3.4Å; T71-T74 PolarHBondContact O-N 3.25Å; T71-T74 PolarHBondContact O-OG1 2.98Å; T71-T74 PolarHBondContact OG1-OG1 2.99Å
72Q90.3Very high91.2Very high198 Ų19870.8 Ų70.893%0.92536%0.364SS*.THydrogen-bonded Turntrans54.5-92.6-175.2-60.8176.1-1200112.4
73T88.1Confident91.2Very high97 Ų9766.6 Ų66.660%0.59534%0.343SS*.THydrogen-bonded Turntrans-105.2-14.6-176.550.90000113.2T71 N194T71-T73 PolarHBondContact O-N 2.94Å; T73-N194 WeakPolarHBondContact CB-ND2 3.5Å; T73-N194 PolarHBondContact OG1-ND2 3.14Å; T73-N194 PolarHBondContact OG1-OD1 3.42Å
74T87.4Confident91.2Very high21 Ų2166.9 Ų66.913%0.12934%0.343CS..EExtended strand (participates in β ladder)trans-94.8123179.251.80000110.9T71 N194T71-T74 PolarHBondContact N-O 3.4Å; T71-T74 PolarHBondContact O-N 3.25Å; T71-T74 PolarHBondContact O-OG1 2.98Å; T71-T74 PolarHBondContact OG1-OG1 2.99Å; T74-N194 WeakPolarHBondContact CG2-O 3.17Å; T74-N194 WeakPolarHBondContact CG2-OD1 3.36Å
75Q89.3Confident91.4Very high140 Ų14064 Ų6465%0.65432%0.32SS*.EExtended strand (participates in β ladder)trans-96.3116.2174.9-62.8-172.4-13.900109.8T70T70-Q75 HydrophobicContact CG2-CG 3.92Å
76L91.2Very high91.7Very high17 Ų1759 Ų599%0.08929%0.293CS..EExtended strand (participates in β ladder)trans-93110.5175.1-53.6-174.6000108.8W68 A69 W196W68-L76 WeakPolarHBondContact CA-O 3.27Å; W68-L76 WeakPolarHBondContact CB-O 3.17Å; W68-L76 HydrophobicContact CE3-CB 4.03Å; W68-L76 HydrophobicContact CE3-CD1 4.03Å; W68-L76 HydrophobicContact CZ3-CD1 4.03Å; W68-L76 PolarHBondContact N-O 2.98Å; A69-L76 PolarHBondContact N-O 3.25Å; A69-L76 VanDerWaalsContact N-O 3.13Å; A69-L76 WeakPolarHBondContact O-CA 3.49Å; A69-L76 VanDerWaalsContact O-CB 3.29Å; A69-L76 WeakPolarHBondContact O-CB 3.3Å; A69-L76 PolarHBondContact O-N 3.4Å; L76-W196 HydrophobicContact CD1-CH2 4.22Å; L76-W196 HydrophobicContact CD1-CZ3 3.64Å; L76-W196 HydrophobicContact CD2-CD2 4.2Å; L76-W196 HydrophobicContact CD2-CE3 3.14Å; L76-W196 HydrophobicContact CD2-CH2 4.07Å; L76-W196 HydrophobicContact CD2-CZ3 3.09Å; L76-W196 HydrophobicContact CG-CE3 4.43Å; L76-W196 HydrophobicContact CG-CZ3 3.99Å
77S92.6Very high91.8Very high32 Ų3251.8 Ų51.822%0.22427%0.266CS..EExtended strand (participates in β ladder)trans-117.4155171.561.10000110.8W66 S79 N136W66-S77 CarbonylContact O-C 3.5Å; W66-S77 VanDerWaalsContact O-CA 3.28Å; W66-S77 WeakPolarHBondContact O-CA 3.49Å; S77-S79 PolarHBondContact O-N 2.92Å; S77-N136 PolarHBondContact O-ND2 2.89Å
78L92.5Very high91.8Very high61 Ų6148.1 Ų48.132%0.31925%0.249SC..EExtended strand (participates in β ladder)trans-82.5104.6166.3-172.1148.9000107.4N65 W66 F80N65-L78 PolarHBondContact N-O 3.39Å; W66-L78 HydrophobicContact CB-CB 4.23Å; W66-L78 HydrophobicContact CE3-CB 4.41Å; W66-L78 HydrophobicContact CE3-CD1 4.31Å; W66-L78 PolarHBondContact O-N 3.46Å; L78-F80 HydrophobicContact CD2-CD2 4Å; L78-F80 HydrophobicContact CD2-CE1 4.32Å; L78-F80 HydrophobicContact CD2-CE2 3.2Å; L78-F80 HydrophobicContact CD2-CZ 3.4Å; L78-F80 VanDerWaalsContact CD2-CZ 3.4Å; L78-F80 HydrophobicContact CG-CE2 4.49Å; L78-F80 HydrophobicContact CG-CZ 4.36Å
79S93.1Very high92Very high2 Ų242.2 Ų42.21%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-127.4119.9-166.452.40000110.5I63 S77 N135 N136 Q139I63-S79 CarbonylContact O-C 3.32Å; I63-S79 VanDerWaalsContact O-CA 3.32Å; I63-S79 WeakPolarHBondContact O-CA 3.44Å; S77-S79 PolarHBondContact O-N 2.92Å; S79-N135 WeakPolarHBondContact O-CB 3.17Å; S79-N135 PolarHBondContact O-N 3.25Å; S79-N135 WeakPolarHBondContact OG-CB 3.09Å; S79-N136 PolarHBondContact OG-ND2 3.46Å; S79-N136 VanDerWaalsContact OG-ND2 3.11Å; S79-N136 PolarHBondContact OG-OD1 2.97Å; S79-Q139 PolarHBondContact O-OE1 3.17Å; S79-Q139 VanDerWaalsContact O-OE1 3.07Å
80F93.2Very high92Very high27 Ų2740.9 Ų40.912%0.11822%0.215CC..EExtended strand (participates in β ladder)trans-101.1120.6177.9-60.8-66.8000110.5L12 I62 I63 L78 T133L12-F80 HydrophobicContact CD1-CD1 3.86Å; L12-F80 HydrophobicContact CD1-CD2 4.17Å; L12-F80 HydrophobicContact CD1-CE1 3.66Å; L12-F80 HydrophobicContact CD1-CE2 3.97Å; L12-F80 HydrophobicContact CD1-CG 4.1Å; L12-F80 HydrophobicContact CD1-CZ 3.7Å; I62-F80 WeakPolarHBondContact CA-O 3.48Å; I63-F80 HydrophobicContact CB-CB 4.38Å; I63-F80 PolarHBondContact N-O 2.69Å; I63-F80 PolarHBondContact O-N 3.49Å; L78-F80 HydrophobicContact CD2-CD2 4Å; L78-F80 HydrophobicContact CD2-CE1 4.32Å; L78-F80 HydrophobicContact CD2-CE2 3.2Å; L78-F80 HydrophobicContact CD2-CZ 3.4Å; L78-F80 VanDerWaalsContact CD2-CZ 3.4Å; L78-F80 HydrophobicContact CG-CE2 4.49Å; L78-F80 HydrophobicContact CG-CZ 4.36Å; F80-T133 CarbonylContact C-O 3.21Å; F80-T133 VanDerWaalsContact CA-O 3.23Å; F80-T133 WeakPolarHBondContact CA-O 3.29Å; F80-T133 VanDerWaalsContact CD1-OG1 3.31Å; F80-T133 WeakPolarHBondContact CD1-OG1 3.45Å
81K92.9Very high92.1Very high39 Ų3937.5 Ų37.517%0.1719%0.194CC..EExtended strand (participates in β ladder)trans-90.7115.6171.2-172177.7-177.6-169.40109.3I62 D83 S86 T133 N135I62-K81 HydrophobicContact CG1-CG 4.49Å; K81-D83 WeakPolarHBondContact CE-OD2 3.42Å; K81-D83 HydrophobicContact CG-CB 4.3Å; K81-D83 IonicContact NZ-OD2 3.69Å; K81-D83 PolarHBondContact NZ-OD2 3.34Å; K81-S86 PolarHBondContact O-OG 3.43Å; K81-T133 PolarHBondContact N-O 3.09Å; K81-N135 HydrophobicContact CB-CB 3.93Å
82L92.4Very high92.4Very high2 Ų234.6 Ų34.61%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-108.575-178.5-67175.8000109.5T8 E60 V61 I63 S86 M87T8-L82 HydrophobicContact CG2-CD1 3.64Å; T8-L82 HydrophobicContact CG2-CD2 4.08Å; T8-L82 HydrophobicContact CG2-CG 4.48Å; T8-L82 WeakPolarHBondContact OG1-CD1 3.2Å; E60-L82 WeakPolarHBondContact CA-O 3.38Å; V61-L82 HydrophobicContact CB-CB 4.28Å; V61-L82 HydrophobicContact CB-CD1 4.43Å; V61-L82 PolarHBondContact N-O 3.11Å; V61-L82 WeakPolarHBondContact O-CA 3.39Å; V61-L82 VanDerWaalsContact O-CB 3.23Å; V61-L82 WeakPolarHBondContact O-CB 3.26Å; V61-L82 PolarHBondContact O-N 2.81Å; I63-L82 HydrophobicContact CD1-CD1 3.39Å; I63-L82 HydrophobicContact CG1-CD1 3.94Å; L82-S86 VanDerWaalsContact CA-OG 3.25Å; L82-S86 WeakPolarHBondContact CA-OG 3.33Å; L82-M87 HydrophobicContact CB-CE 3.37Å; L82-M87 HydrophobicContact CD1-CE 4.15Å; L82-M87 HydrophobicContact CD2-CE 3.57Å; L82-M87 HydrophobicContact CG-CE 3.85Å
83D92.3Very high92.6Very high4 Ų425.3 Ų25.32%0.02113%0.134CC..SBendtrans-110.2-178.6177.566.3-11.1000112.4E60 K81 F85 S86 M87 R262E60-D83 HydrophobicContact CG-CB 4.14Å; K81-D83 WeakPolarHBondContact CE-OD2 3.42Å; K81-D83 HydrophobicContact CG-CB 4.3Å; K81-D83 IonicContact NZ-OD2 3.69Å; K81-D83 PolarHBondContact NZ-OD2 3.34Å; D83-F85 PolarHBondContact O-N 3.37Å; D83-F85 VanDerWaalsContact O-N 3.14Å; D83-S86 PolarHBondContact N-OG 3.31Å; D83-S86 PolarHBondContact O-N 3.47Å; D83-S86 PolarHBondContact O-OG 2.83Å; D83-S86 PolarHBondContact OD1-N 3.42Å; D83-S86 PolarHBondContact OD1-OG 3.14Å; D83-M87 WeakPolarHBondContact O-CG 3.36Å; D83-M87 PolarHBondContact O-N 2.96Å; D83-R262 IonicContact OD1-CZ 3.18Å; D83-R262 VanDerWaalsContact OD1-CZ 3.25Å; D83-R262 IonicContact OD1-NH1 2.72Å; D83-R262 PolarHBondContact OD1-NH1 3.25Å; D83-R262 IonicContact OD1-NH2 2.89Å; D83-R262 PolarHBondContact OD1-NH2 3.39Å; D83-R262 IonicContact OD2-CZ 3.61Å; D83-R262 IonicContact OD2-NH1 2.55Å; D83-R262 PolarHBondContact OD2-NH1 3.47Å
84Y91.5Very high93Very high15 Ų1520.8 Ų20.86%0.05911%0.105CC..Hα-helixtrans-40.9-50.6176.6173.2-102.3000113.4F54 M87 M88 H323 F326 I472F54-Y84 AromaticContact CE1-CD2 3.85Å; F54-Y84 HydrophobicContact CE1-CD2 3.85Å; F54-Y84 VanDerWaalsContact CZ-CA 3.5Å; F54-Y84 HydrophobicContact CZ-CD2 4.05Å; F54-Y84 HydrophobicContact CZ-CG 4.42Å; Y84-M87 PolarHBondContact O-N 3.21Å; Y84-M88 HydrophobicContact CD2-CE 4.12Å; Y84-M88 HydrophobicContact CD2-CG 4.24Å; Y84-M88 HydrophobicContact CE2-CE 3.77Å; Y84-M88 HydrophobicContact CE2-CG 3.97Å; Y84-M88 WeakPolarHBondContact O-CB 3.13Å; Y84-M88 VanDerWaalsContact O-CG 3.3Å; Y84-M88 WeakPolarHBondContact O-CG 3.46Å; Y84-M88 PolarHBondContact O-N 3.35Å; Y84-M88 VanDerWaalsContact O-N 3.11Å; Y84-H323 AromaticContact CD1-CD2 3.99Å; Y84-H323 AromaticContact CE1-CD2 3.87Å; Y84-F326 HydrophobicContact CD1-CD1 4.27Å; Y84-F326 HydrophobicContact CD1-CE1 4.4Å; Y84-F326 AromaticContact CE1-CD1 3.46Å; Y84-F326 HydrophobicContact CE1-CD1 3.46Å; Y84-F326 VanDerWaalsContact CE1-CD1 3.46Å; Y84-F326 AromaticContact CE1-CE1 3.83Å; Y84-F326 HydrophobicContact CE1-CE1 3.83Å; Y84-F326 HydrophobicContact CE1-CG 4.35Å; Y84-I472 HydrophobicContact CE2-CB 4.35Å; Y84-I472 HydrophobicContact CE2-CD1 4.34Å; Y84-I472 HydrophobicContact CE2-CG1 3.89Å; Y84-I472 HydrophobicContact CE2-CG2 3.62Å; Y84-I472 WeakPolarHBondContact OH-CD1 3.07Å
85F93.6Very high93.4Very high22 Ų2221.1 Ų21.110%0.09611%0.105CC..Hα-helixtrans-65.3-44.5-177-57.9-56.8000112.4D83 F89 F258 I261 H323 F326D83-F85 PolarHBondContact O-N 3.37Å; D83-F85 VanDerWaalsContact O-N 3.14Å; F85-F89 WeakPolarHBondContact O-CB 3.29Å; F85-F89 PolarHBondContact O-N 2.97Å; F85-F258 HydrophobicContact CB-CE2 3.89Å; F85-F258 HydrophobicContact CB-CZ 4.33Å; F85-I261 HydrophobicContact CD1-CG2 3.68Å; F85-I261 HydrophobicContact CD2-CG2 4.24Å; F85-I261 HydrophobicContact CE1-CG2 3.25Å; F85-I261 HydrophobicContact CE2-CG2 3.86Å; F85-I261 HydrophobicContact CG-CG2 4.16Å; F85-I261 HydrophobicContact CZ-CG2 3.36Å; F85-H323 AromaticContact CZ-NE2 3.98Å; F85-F326 HydrophobicContact CB-CD2 4.41Å; F85-F326 HydrophobicContact CB-CE2 4.06Å; F85-F326 HydrophobicContact CB-CZ 4.32Å; F85-F326 HydrophobicContact CD1-CB 4.02Å; F85-F326 AromaticContact CD1-CD1 3.91Å; F85-F326 HydrophobicContact CD1-CD1 3.91Å; F85-F326 AromaticContact CD1-CD2 3.65Å; F85-F326 HydrophobicContact CD1-CD2 3.65Å; F85-F326 HydrophobicContact CD1-CE1 4.3Å; F85-F326 HydrophobicContact CD1-CE2 4.07Å; F85-F326 AromaticContact CD1-CG 3.55Å; F85-F326 HydrophobicContact CD1-CG 3.55Å; F85-F326 HydrophobicContact CD1-CZ 4.38Å; F85-F326 HydrophobicContact CE1-CB 4Å; F85-F326 HydrophobicContact CE1-CD1 4.44Å; F85-F326 HydrophobicContact CE1-CD2 4.45Å; F85-F326 HydrophobicContact CE1-CG 4.04Å; F85-F326 HydrophobicContact CG-CD2 4.46Å; F85-F326 WeakPolarHBondContact O-CE2 3.29Å; F85-F326 WeakPolarHBondContact O-CZ 3.45Å
86S93.6Very high93.7Very high0 Ų014.7 Ų14.70%08%0.077CC..Hα-helixtrans-69.5-42.9178.765.90000112.2K81 L82 D83 M88 F89 I90K81-S86 PolarHBondContact O-OG 3.43Å; L82-S86 VanDerWaalsContact CA-OG 3.25Å; L82-S86 WeakPolarHBondContact CA-OG 3.33Å; D83-S86 PolarHBondContact N-OG 3.31Å; D83-S86 PolarHBondContact O-N 3.47Å; D83-S86 PolarHBondContact O-OG 2.83Å; D83-S86 PolarHBondContact OD1-N 3.42Å; D83-S86 PolarHBondContact OD1-OG 3.14Å; S86-M88 PolarHBondContact O-N 3.31Å; S86-F89 PolarHBondContact O-N 2.99Å; S86-I90 WeakPolarHBondContact O-CD1 3.49Å; S86-I90 WeakPolarHBondContact O-CG1 3.49Å; S86-I90 PolarHBondContact O-N 2.91Å
87M92.4Very high94Very high2 Ų214 Ų141%0.017%0.073CC..Hα-helixtrans-60.6-51.2-177.2-76.7-59.3146.300110.7H4 T8 P50 T51 F54 L82 D83 Y84 F89 P91H4-M87 WeakPolarHBondContact CE1-CE 3.43Å; T8-M87 HydrophobicContact CG2-CE 4.07Å; P50-M87 HydrophobicContact CB-CE 4.48Å; P50-M87 HydrophobicContact CB-SD 4Å; T51-M87 HydrophobicContact CG2-CB 4.26Å; T51-M87 WeakPolarHBondContact CG2-O 3.3Å; T51-M87 HydrophobicContact CG2-SD 4.36Å; F54-M87 HydrophobicContact CB-CB 4.29Å; F54-M87 HydrophobicContact CB-CG 3.87Å; F54-M87 HydrophobicContact CB-SD 4.41Å; F54-M87 HydrophobicContact CD1-CB 4.08Å; F54-M87 HydrophobicContact CD1-CG 4.33Å; F54-M87 HydrophobicContact CD2-CG 4.02Å; F54-M87 HydrophobicContact CG-CB 4.03Å; F54-M87 HydrophobicContact CG-CG 3.78Å; L82-M87 HydrophobicContact CB-CE 3.37Å; L82-M87 HydrophobicContact CD1-CE 4.15Å; L82-M87 HydrophobicContact CD2-CE 3.57Å; L82-M87 HydrophobicContact CG-CE 3.85Å; D83-M87 WeakPolarHBondContact O-CG 3.36Å; D83-M87 PolarHBondContact O-N 2.96Å; Y84-M87 PolarHBondContact O-N 3.21Å; M87-F89 PolarHBondContact O-N 2.93Å; M87-P91 WeakPolarHBondContact O-CD 3.46Å
88M92.9Very high94.2Very high14 Ų1415 Ų157%0.0697%0.072CC..Hα-helixtrans-68.5-36.9-179-65.4-64.3178.300112.7F54 M55 Y84 S86 V92 F326 I472F54-M88 HydrophobicContact CD1-CE 4.32Å; F54-M88 HydrophobicContact CE1-CE 4.16Å; M55-M88 HydrophobicContact CE-CE 3.13Å; M55-M88 HydrophobicContact CE-SD 3.43Å; M55-M88 WeakPolarHBondContact CE-SD 3.49Å; M55-M88 HydrophobicContact CG-CE 4.41Å; M55-M88 HydrophobicContact SD-CE 3.2Å; M55-M88 WeakPolarHBondContact SD-CE 3.48Å; M55-M88 HydrophobicContact SD-SD 4.28Å; Y84-M88 HydrophobicContact CD2-CE 4.12Å; Y84-M88 HydrophobicContact CD2-CG 4.24Å; Y84-M88 HydrophobicContact CE2-CE 3.77Å; Y84-M88 HydrophobicContact CE2-CG 3.97Å; Y84-M88 WeakPolarHBondContact O-CB 3.13Å; Y84-M88 VanDerWaalsContact O-CG 3.3Å; Y84-M88 WeakPolarHBondContact O-CG 3.46Å; Y84-M88 PolarHBondContact O-N 3.35Å; Y84-M88 VanDerWaalsContact O-N 3.11Å; S86-M88 PolarHBondContact O-N 3.31Å; M88-V92 VanDerWaalsContact O-CG2 3.31Å; M88-V92 WeakPolarHBondContact O-CG2 3.41Å; M88-F326 HydrophobicContact CB-CE1 3.51Å; M88-F326 HydrophobicContact CB-CZ 3.73Å; M88-F326 HydrophobicContact CG-CE1 4.11Å; M88-I472 HydrophobicContact CE-CG1 3.72Å
89F94.8Very high94.4Very high1 Ų112.1 Ų12.10%0.0046%0.057CC..Hα-helixtrans-76.2-36.7-173.1-175.3-91.1000113.2F85 S86 M87 V92 A93 M128 V132 S250 V254 F326 I329F85-F89 WeakPolarHBondContact O-CB 3.29Å; F85-F89 PolarHBondContact O-N 2.97Å; S86-F89 PolarHBondContact O-N 2.99Å; M87-F89 PolarHBondContact O-N 2.93Å; F89-V92 PolarHBondContact O-N 3.21Å; F89-A93 HydrophobicContact CD1-CB 4.15Å; F89-A93 HydrophobicContact CE1-CB 3.77Å; F89-A93 HydrophobicContact CZ-CB 4.26Å; F89-A93 WeakPolarHBondContact O-CB 3.35Å; F89-A93 PolarHBondContact O-N 3.07Å; F89-M128 HydrophobicContact CE1-CE 3.81Å; F89-M128 HydrophobicContact CE1-CG 4.28Å; F89-M128 HydrophobicContact CZ-CE 3.56Å; F89-V132 HydrophobicContact CB-CG1 4.1Å; F89-V132 HydrophobicContact CD1-CB 4.04Å; F89-V132 HydrophobicContact CD1-CG1 3.66Å; F89-V132 HydrophobicContact CD1-CG2 3.41Å; F89-V132 VanDerWaalsContact CD1-CG2 3.41Å; F89-V132 HydrophobicContact CE1-CB 4.35Å; F89-V132 HydrophobicContact CE1-CG1 4.45Å; F89-V132 HydrophobicContact CE1-CG2 3.32Å; F89-V132 HydrophobicContact CG-CG1 4.18Å; F89-V132 HydrophobicContact CG-CG2 4.28Å; F89-V132 HydrophobicContact CZ-CG2 4.16Å; F89-S250 VanDerWaalsContact CE2-O 3.26Å; F89-S250 WeakPolarHBondContact CE2-O 3.48Å; F89-S250 WeakPolarHBondContact CZ-O 3.41Å; F89-V254 HydrophobicContact CE2-CG1 4.38Å; F89-F326 HydrophobicContact CB-CE2 4.04Å; F89-F326 HydrophobicContact CB-CZ 3.92Å; F89-F326 HydrophobicContact CD2-CE2 4.45Å; F89-I329 HydrophobicContact CD2-CG2 4.19Å; F89-I329 HydrophobicContact CE2-CG2 4.06Å
90I94.9Very high94.6Very high9 Ų912 Ų125%0.0466%0.056CC..Hα-helixtrans-57.3-51.9-176.2-68.6162.8000111.9S86 V92 A93 L94 L129 T133S86-I90 WeakPolarHBondContact O-CD1 3.49Å; S86-I90 WeakPolarHBondContact O-CG1 3.49Å; S86-I90 PolarHBondContact O-N 2.91Å; I90-V92 VanDerWaalsContact C-N 3.34Å; I90-V92 PolarHBondContact O-N 3.37Å; I90-A93 PolarHBondContact O-N 3.24Å; I90-L94 HydrophobicContact CG2-CD1 3.68Å; I90-L94 HydrophobicContact CG2-CG 4.32Å; I90-L94 WeakPolarHBondContact O-CB 3.41Å; I90-L94 VanDerWaalsContact O-CG 3.27Å; I90-L94 WeakPolarHBondContact O-CG 3.32Å; I90-L94 PolarHBondContact O-N 3.3Å; I90-L129 HydrophobicContact CB-CD2 4.26Å; I90-L129 HydrophobicContact CG1-CD2 3.88Å; I90-L129 HydrophobicContact CG2-CD2 4.01Å; I90-T133 HydrophobicContact CD1-CG2 3.65Å; I90-T133 HydrophobicContact CG1-CG2 4.35Å
91P95.3Very high94.7Very high13 Ų1310.7 Ų10.78%0.0845%0.05CC..Hα-helixtrans-64.7-36177.4-1929.7000112.9F44 L48 T51 M87 L94 F95F44-P91 HydrophobicContact CD2-CB 4.29Å; F44-P91 HydrophobicContact CE2-CB 4.01Å; L48-P91 HydrophobicContact CD2-CB 4.2Å; T51-P91 HydrophobicContact CG2-CG 3.33Å; M87-P91 WeakPolarHBondContact O-CD 3.46Å; P91-L94 PolarHBondContact O-N 3.21Å; P91-F95 WeakPolarHBondContact O-CB 3.39Å; P91-F95 PolarHBondContact O-N 3.38Å
92V95.8Very high94.9Very high11 Ų119.2 Ų9.27%0.0674%0.044CC..Hα-helixtrans-63-46177.7174.10000110.5M88 F89 I90 F95 G96 C330 A333 F334M88-V92 VanDerWaalsContact O-CG2 3.31Å; M88-V92 WeakPolarHBondContact O-CG2 3.41Å; F89-V92 PolarHBondContact O-N 3.21Å; I90-V92 VanDerWaalsContact C-N 3.34Å; I90-V92 PolarHBondContact O-N 3.37Å; V92-F95 PolarHBondContact O-N 3.1Å; V92-G96 PolarHBondContact O-N 3.29Å; V92-C330 HydrophobicContact CG2-CB 4.35Å; V92-A333 HydrophobicContact CG1-CB 3.58Å; V92-F334 HydrophobicContact CG1-CE2 4.04Å; V92-F334 HydrophobicContact CG1-CZ 4.25Å; V92-F334 HydrophobicContact CG2-CE2 4.08Å; V92-F334 HydrophobicContact CG2-CZ 4.1Å
93A95.7Very high95.1Very high3 Ų39.1 Ų9.13%0.0254%0.043CC..Hα-helixtrans-64.7-45176.500000111.9F89 I90 G96 T97F89-A93 HydrophobicContact CD1-CB 4.15Å; F89-A93 HydrophobicContact CE1-CB 3.77Å; F89-A93 HydrophobicContact CZ-CB 4.26Å; F89-A93 WeakPolarHBondContact O-CB 3.35Å; F89-A93 PolarHBondContact O-N 3.07Å; I90-A93 PolarHBondContact O-N 3.24Å; A93-G96 PolarHBondContact O-N 3.18Å; A93-T97 WeakPolarHBondContact O-CB 3.38Å; A93-T97 VanDerWaalsContact O-CG2 3.29Å; A93-T97 WeakPolarHBondContact O-CG2 3.34Å; A93-T97 PolarHBondContact O-N 3.29Å; A93-T97 PolarHBondContact O-OG1 3.07Å
94L96.3Very high95.3Very high1 Ų18.9 Ų8.91%0.0054%0.042CC..Hα-helixtrans-64.7-39.1177.6-70.7174.1000112.3L15 V40 T43 F44 I90 P91 T97 W98 L125 L129L15-L94 HydrophobicContact CD1-CD2 4.46Å; V40-L94 HydrophobicContact CG1-CD2 4.47Å; T43-L94 WeakPolarHBondContact OG1-CD2 3.19Å; F44-L94 HydrophobicContact CB-CB 4.01Å; F44-L94 HydrophobicContact CD2-CB 4.18Å; I90-L94 HydrophobicContact CG2-CD1 3.68Å; I90-L94 HydrophobicContact CG2-CG 4.32Å; I90-L94 WeakPolarHBondContact O-CB 3.41Å; I90-L94 VanDerWaalsContact O-CG 3.27Å; I90-L94 WeakPolarHBondContact O-CG 3.32Å; I90-L94 PolarHBondContact O-N 3.3Å; P91-L94 PolarHBondContact O-N 3.21Å; L94-T97 WeakPolarHBondContact CA-OG1 3.47Å; L94-T97 PolarHBondContact O-OG1 3.12Å; L94-W98 VanDerWaalsContact O-CB 3.27Å; L94-W98 WeakPolarHBondContact O-CB 3.28Å; L94-W98 PolarHBondContact O-N 3.24Å; L94-L125 HydrophobicContact CD2-CD1 4.06Å; L94-L125 HydrophobicContact CD2-CD2 4.22Å; L94-L129 HydrophobicContact CD2-CD1 4.21Å
95F96.1Very high95.5Very high29 Ų299 Ų913%0.1274%0.043CC..Hα-helixtrans-65.8-47.5176-176-95.7000112F44 P91 V92 W98 S99 F334 R456 L457F44-F95 HydrophobicContact CD2-CB 3.98Å; F44-F95 HydrophobicContact CE1-CD2 4.12Å; F44-F95 HydrophobicContact CE2-CB 3.74Å; F44-F95 HydrophobicContact CE2-CD2 4Å; F44-F95 HydrophobicContact CE2-CG 4.33Å; F44-F95 HydrophobicContact CZ-CB 4.36Å; F44-F95 AromaticContact CZ-CD2 3.73Å; F44-F95 HydrophobicContact CZ-CD2 3.73Å; F44-F95 HydrophobicContact CZ-CG 4.49Å; P91-F95 WeakPolarHBondContact O-CB 3.39Å; P91-F95 PolarHBondContact O-N 3.38Å; V92-F95 PolarHBondContact O-N 3.1Å; F95-W98 HydrophobicContact CD2-CE3 4.15Å; F95-W98 HydrophobicContact CD2-CZ3 4.35Å; F95-W98 HydrophobicContact CE2-CE3 4.4Å; F95-W98 HydrophobicContact CE2-CZ3 4.26Å; F95-W98 PolarHBondContact O-N 3.02Å; F95-S99 PolarHBondContact O-N 3.05Å; F95-S99 VanDerWaalsContact O-N 3.12Å; F95-F334 AromaticContact CD1-CD1 3.96Å; F95-F334 HydrophobicContact CD1-CD1 3.96Å; F95-F334 AromaticContact CD1-CE1 3.44Å; F95-F334 HydrophobicContact CD1-CE1 3.44Å; F95-F334 VanDerWaalsContact CD1-CE1 3.44Å; F95-F334 AromaticContact CE1-CD1 3.93Å; F95-F334 HydrophobicContact CE1-CD1 3.93Å; F95-F334 AromaticContact CE1-CE1 3.66Å; F95-F334 HydrophobicContact CE1-CE1 3.66Å; F95-F334 HydrophobicContact CG-CE1 4.3Å; F95-R456 HydrophobicContact CE2-CB 4.46Å; F95-R456 HydrophobicContact CZ-CB 3.86Å; F95-R456 WeakPolarHBondContact CZ-O 3.3Å; F95-L457 HydrophobicContact CD1-CD2 4.15Å; F95-L457 HydrophobicContact CE1-CD2 3.87Å; F95-L457 HydrophobicContact CE1-CG 4.45Å
96G95.6Very high95.6Very high5 Ų59 Ų95%0.0524%0.043CC..Hα-helixtrans-58.7-49.2175.800000111.3V92 A93 W98 S99 I100V92-G96 PolarHBondContact O-N 3.29Å; A93-G96 PolarHBondContact O-N 3.18Å; G96-W98 PolarHBondContact O-N 3.15Å; G96-S99 PolarHBondContact O-N 3.02Å; G96-S99 PolarHBondContact O-OG 3.31Å; G96-I100 VanDerWaalsContact O-CG1 3.28Å; G96-I100 WeakPolarHBondContact O-CG1 3.45Å; G96-I100 PolarHBondContact O-N 3.19Å
97T95.6Very high95.7Very high1 Ų19.6 Ų9.61%0.0065%0.045CC..Hα-helixtrans-67.6-35.6179.154.50000113.7A93 L94 S99 I100 M101 L125 L246A93-T97 WeakPolarHBondContact O-CB 3.38Å; A93-T97 VanDerWaalsContact O-CG2 3.29Å; A93-T97 WeakPolarHBondContact O-CG2 3.34Å; A93-T97 PolarHBondContact O-N 3.29Å; A93-T97 PolarHBondContact O-OG1 3.07Å; L94-T97 WeakPolarHBondContact CA-OG1 3.47Å; L94-T97 PolarHBondContact O-OG1 3.12Å; T97-S99 VanDerWaalsContact C-N 3.3Å; T97-S99 PolarHBondContact O-N 3.31Å; T97-I100 PolarHBondContact O-N 3.08Å; T97-M101 WeakPolarHBondContact O-CB 3.46Å; T97-M101 WeakPolarHBondContact O-CG 3.34Å; T97-M101 PolarHBondContact O-N 3.37Å; T97-L125 HydrophobicContact CG2-CD1 3.34Å; T97-L125 HydrophobicContact CG2-CG 4.47Å; T97-L125 WeakPolarHBondContact OG1-CD1 3.4Å; T97-L246 HydrophobicContact CG2-CD1 3.57Å; T97-L246 HydrophobicContact CG2-CG 4.1Å
98W96.9Very high95.8Very high54 Ų549.6 Ų9.621%0.2055%0.045CC..Hα-helixtrans-57.5-44.3171.5172.135.5000111.6V40 A41 F44 L94 F95 G96 E102 R456V40-W98 HydrophobicContact CG1-CB 4.09Å; A41-W98 HydrophobicContact CB-CD2 4.23Å; A41-W98 HydrophobicContact CB-CG 4.25Å; A41-W98 HydrophobicContact CB-CZ2 4.41Å; F44-W98 HydrophobicContact CD1-CE3 4.43Å; F44-W98 HydrophobicContact CD1-CZ3 4.46Å; L94-W98 VanDerWaalsContact O-CB 3.27Å; L94-W98 WeakPolarHBondContact O-CB 3.28Å; L94-W98 PolarHBondContact O-N 3.24Å; F95-W98 HydrophobicContact CD2-CE3 4.15Å; F95-W98 HydrophobicContact CD2-CZ3 4.35Å; F95-W98 HydrophobicContact CE2-CE3 4.4Å; F95-W98 HydrophobicContact CE2-CZ3 4.26Å; F95-W98 PolarHBondContact O-N 3.02Å; G96-W98 PolarHBondContact O-N 3.15Å; W98-E102 PolarHBondContact O-N 3.24Å; W98-E102 VanDerWaalsContact O-N 3.16Å; W98-R456 VanDerWaalsContact CH2-CD 3.45Å
99S97.1Very high95.7Very high0 Ų015.1 Ų15.10%08%0.075CC..Hα-helixtrans-64.4-42.2175.872.60000112.8F95 G96 T97 E102 F103 P453 L457F95-S99 PolarHBondContact O-N 3.05Å; F95-S99 VanDerWaalsContact O-N 3.12Å; G96-S99 PolarHBondContact O-N 3.02Å; G96-S99 PolarHBondContact O-OG 3.31Å; T97-S99 VanDerWaalsContact C-N 3.3Å; T97-S99 PolarHBondContact O-N 3.31Å; S99-E102 PolarHBondContact O-N 3.15Å; S99-F103 WeakPolarHBondContact O-CB 3.41Å; S99-F103 PolarHBondContact O-N 3.28Å; S99-P453 WeakPolarHBondContact O-CB 3.38Å; S99-L457 WeakPolarHBondContact OG-CD1 3.29Å
100I96.9Very high95.6Very high0 Ų019.9 Ų19.90%011%0.109CC..Hα-helixtrans-68.3-40.5-179.8-65.1164.5000111.4G96 T97 E102 F103 S104 L121 P242 A245 L246G96-I100 VanDerWaalsContact O-CG1 3.28Å; G96-I100 WeakPolarHBondContact O-CG1 3.45Å; G96-I100 PolarHBondContact O-N 3.19Å; T97-I100 PolarHBondContact O-N 3.08Å; I100-E102 VanDerWaalsContact C-N 3.31Å; I100-E102 PolarHBondContact O-N 3.32Å; I100-F103 PolarHBondContact O-N 2.92Å; I100-S104 PolarHBondContact O-N 3.44Å; I100-S104 PolarHBondContact O-OG 2.95Å; I100-L121 HydrophobicContact CG2-CD1 4.18Å; I100-P242 HydrophobicContact CG2-CB 3.92Å; I100-P242 WeakPolarHBondContact CG2-O 3.42Å; I100-A245 HydrophobicContact CD1-CB 4.18Å; I100-A245 HydrophobicContact CG1-CB 4.23Å; I100-L246 HydrophobicContact CD1-CB 3.73Å; I100-L246 HydrophobicContact CD1-CD1 4.21Å; I100-L246 HydrophobicContact CD1-CG 4.02Å; I100-L246 HydrophobicContact CG2-CB 4.38Å; I100-L246 HydrophobicContact CG2-CD1 4.29Å
101M95.8Very high95.5Very high0 Ų021.1 Ų21.10%012%0.115CC..Hα-helixtrans-64.5-34.6176.3-72.4-67.5-142.900112.1V36 T97 S104 F118 L121 L122V36-M101 HydrophobicContact CG1-CE 3.56Å; T97-M101 WeakPolarHBondContact O-CB 3.46Å; T97-M101 WeakPolarHBondContact O-CG 3.34Å; T97-M101 PolarHBondContact O-N 3.37Å; M101-S104 WeakPolarHBondContact CA-OG 3.37Å; M101-S104 PolarHBondContact O-OG 2.93Å; M101-F118 HydrophobicContact CB-CE1 4.04Å; M101-F118 HydrophobicContact CE-CD1 4.12Å; M101-F118 HydrophobicContact CG-CE1 4.44Å; M101-F118 WeakPolarHBondContact O-CE1 3.23Å; M101-F118 VanDerWaalsContact O-CZ 3.29Å; M101-F118 WeakPolarHBondContact O-CZ 3.43Å; M101-F118 HydrophobicContact SD-CD1 3.39Å; M101-F118 WeakPolarHBondContact SD-CD1 3.48Å; M101-F118 HydrophobicContact SD-CE1 3.6Å; M101-F118 HydrophobicContact SD-CG 4.27Å; M101-L121 HydrophobicContact CE-CB 3.99Å; M101-L121 HydrophobicContact CE-CD2 3.46Å; M101-L121 VanDerWaalsContact CE-CD2 3.46Å; M101-L121 HydrophobicContact CE-CG 4.15Å; M101-L121 HydrophobicContact CG-CD2 4.17Å; M101-L121 HydrophobicContact SD-CB 4.13Å; M101-L121 HydrophobicContact SD-CD1 3.68Å; M101-L121 HydrophobicContact SD-CD2 3.58Å; M101-L121 VanDerWaalsContact SD-CD2 3.58Å; M101-L121 HydrophobicContact SD-CG 3.97Å; M101-L122 HydrophobicContact CE-CB 4.25Å
102E96.9Very high95.3Very high7 Ų726.1 Ų26.13%0.03315%0.148CC..Hα-helixtrans-72-40.7173.3-174.4164.9-16300111.8K37 W98 S99 I100 S104 L105 P453 R456K37-E102 HydrophobicContact CD-CB 4.17Å; K37-E102 HydrophobicContact CD-CG 4.31Å; K37-E102 VanDerWaalsContact CE-CD 3.43Å; K37-E102 VanDerWaalsContact CE-OE2 3.31Å; K37-E102 WeakPolarHBondContact CE-OE2 3.31Å; K37-E102 IonicContact NZ-OE1 2.67Å; K37-E102 PolarHBondContact NZ-OE1 2.8Å; K37-E102 IonicContact NZ-OE2 2.78Å; K37-E102 PolarHBondContact NZ-OE2 3.46Å; W98-E102 PolarHBondContact O-N 3.24Å; W98-E102 VanDerWaalsContact O-N 3.16Å; S99-E102 PolarHBondContact O-N 3.15Å; I100-E102 VanDerWaalsContact C-N 3.31Å; I100-E102 PolarHBondContact O-N 3.32Å; E102-S104 VanDerWaalsContact C-N 3.33Å; E102-S104 PolarHBondContact O-N 3.5Å; E102-L105 WeakPolarHBondContact O-CB 3.4Å; E102-L105 PolarHBondContact O-N 3.41Å; E102-P453 HydrophobicContact CB-CB 4.43Å; E102-P453 HydrophobicContact CB-CG 4.37Å; E102-P453 HydrophobicContact CG-CG 4.31Å; E102-R456 IonicContact OE2-CZ 3.11Å; E102-R456 IonicContact OE2-NH1 2.72Å; E102-R456 PolarHBondContact OE2-NH1 2.89Å; E102-R456 IonicContact OE2-NH2 3.08Å; E102-R456 PolarHBondContact OE2-NH2 3.31Å
103F97Very high95.1Very high0 Ų029.7 Ų29.70%017%0.166CC..Hα-helixtrans-62.5-38.6175175.1-102000112.3S99 I100 L105 W106 Y107 P242 M341 L450 P453S99-F103 WeakPolarHBondContact O-CB 3.41Å; S99-F103 PolarHBondContact O-N 3.28Å; I100-F103 PolarHBondContact O-N 2.92Å; F103-L105 VanDerWaalsContact C-N 3.27Å; F103-L105 PolarHBondContact O-N 3.5Å; F103-W106 HydrophobicContact CD2-CE3 4.28Å; F103-W106 AromaticContact CE2-CE3 3.78Å; F103-W106 HydrophobicContact CE2-CE3 3.78Å; F103-W106 AromaticContact CE2-CZ3 3.8Å; F103-W106 HydrophobicContact CE2-CZ3 3.8Å; F103-W106 HydrophobicContact CZ-CE3 4.29Å; F103-W106 HydrophobicContact CZ-CZ3 4.15Å; F103-W106 PolarHBondContact O-N 2.97Å; F103-W106 VanDerWaalsContact O-N 3.09Å; F103-Y107 AromaticContact CE1-CD2 3.98Å; F103-Y107 HydrophobicContact CE1-CD2 3.98Å; F103-Y107 HydrophobicContact CE1-CG 4.03Å; F103-Y107 AromaticContact CZ-CD2 3.76Å; F103-Y107 HydrophobicContact CZ-CD2 3.76Å; F103-Y107 HydrophobicContact CZ-CG 4.21Å; F103-Y107 PolarHBondContact O-N 3.11Å; F103-P242 HydrophobicContact CD1-CB 4.2Å; F103-P242 HydrophobicContact CD1-CG 3.9Å; F103-P242 HydrophobicContact CE1-CB 4.5Å; F103-P242 HydrophobicContact CE1-CG 3.87Å; F103-M341 HydrophobicContact CB-CG 4.48Å; F103-M341 HydrophobicContact CB-SD 3.93Å; F103-M341 HydrophobicContact CD1-CG 4.23Å; F103-M341 HydrophobicContact CD2-CB 4.38Å; F103-M341 HydrophobicContact CD2-CG 4.39Å; F103-M341 HydrophobicContact CE2-CB 4.43Å; F103-M341 HydrophobicContact CG-CG 4.11Å; F103-M341 HydrophobicContact CG-SD 4.17Å; F103-L450 HydrophobicContact CD2-CD1 3.75Å; F103-L450 HydrophobicContact CE2-CD1 3.6Å; F103-P453 HydrophobicContact CB-CG 4.16Å
104S96.1Very high94.9Very high0 Ų031 Ų310%017%0.173CC..Hα-helixtrans-68-23.4179.258.40000113.7I100 M101 E102 W106 M108 F118I100-S104 PolarHBondContact O-N 3.44Å; I100-S104 PolarHBondContact O-OG 2.95Å; M101-S104 WeakPolarHBondContact CA-OG 3.37Å; M101-S104 PolarHBondContact O-OG 2.93Å; E102-S104 VanDerWaalsContact C-N 3.33Å; E102-S104 PolarHBondContact O-N 3.5Å; S104-W106 PolarHBondContact O-N 2.92Å; S104-M108 WeakPolarHBondContact O-CB 3.44Å; S104-M108 PolarHBondContact O-N 2.87Å; S104-F118 WeakPolarHBondContact OG-CE2 3.35Å; S104-F118 WeakPolarHBondContact OG-CZ 3.43Å
105L95.6Very high94.7Very high16 Ų1632.9 Ų32.98%0.08418%0.183CC..Hα-helixtrans-61.1-37.2170.5-67170.8000111.7P33 K37 E102 F103 F118P33-L105 HydrophobicContact CB-CD2 3.27Å; P33-L105 HydrophobicContact CG-CD2 4.45Å; K37-L105 HydrophobicContact CD-CD1 3.99Å; E102-L105 WeakPolarHBondContact O-CB 3.4Å; E102-L105 PolarHBondContact O-N 3.41Å; F103-L105 VanDerWaalsContact C-N 3.27Å; F103-L105 PolarHBondContact O-N 3.5Å; L105-F118 HydrophobicContact CD2-CE1 4.29Å; L105-F118 HydrophobicContact CD2-CE2 4.24Å; L105-F118 HydrophobicContact CD2-CZ 3.62Å; L105-F118 HydrophobicContact CG-CZ 3.87Å
106W95.8Very high94.5Very high23 Ų2334.9 Ų34.99%0.08719%0.193CC..Hα-helixtrans-79.6-50.1176.917573.8000111.3F103 S104 H348 N447 L450F103-W106 HydrophobicContact CD2-CE3 4.28Å; F103-W106 AromaticContact CE2-CE3 3.78Å; F103-W106 HydrophobicContact CE2-CE3 3.78Å; F103-W106 AromaticContact CE2-CZ3 3.8Å; F103-W106 HydrophobicContact CE2-CZ3 3.8Å; F103-W106 HydrophobicContact CZ-CE3 4.29Å; F103-W106 HydrophobicContact CZ-CZ3 4.15Å; F103-W106 PolarHBondContact O-N 2.97Å; F103-W106 VanDerWaalsContact O-N 3.09Å; S104-W106 PolarHBondContact O-N 2.92Å; W106-H348 HydrophobicContact CH2-CB 3.59Å; W106-H348 AromaticContact CH2-CG 3.67Å; W106-H348 AromaticContact CH2-ND1 3.47Å; W106-H348 WeakPolarHBondContact CH2-ND1 3.2Å; W106-H348 HydrophobicContact CZ2-CB 4.43Å; W106-H348 AromaticContact CZ2-ND1 3.41Å; W106-H348 WeakPolarHBondContact CZ2-ND1 3.15Å; W106-H348 HydrophobicContact CZ3-CB 3.95Å; W106-N447 VanDerWaalsContact CD1-ND2 3.34Å; W106-N447 PolarHBondContact NE1-ND2 3.45Å; W106-L450 HydrophobicContact CD2-CB 4.13Å; W106-L450 HydrophobicContact CD2-CD1 4.4Å; W106-L450 HydrophobicContact CD2-CD2 4.45Å; W106-L450 HydrophobicContact CE3-CB 4.47Å; W106-L450 HydrophobicContact CE3-CD1 3.93Å; W106-L450 HydrophobicContact CG-CB 4.2Å; W106-L450 HydrophobicContact CH2-CD1 4.4Å; W106-L450 HydrophobicContact CH2-CD2 4.06Å; W106-L450 HydrophobicContact CZ2-CD2 3.96Å; W106-L450 HydrophobicContact CZ3-CD1 3.94Å; W106-L450 HydrophobicContact CZ3-CD2 4.4Å
107Y95.6Very high94.5Very high12 Ų1234.6 Ų34.65%0.04719%0.19CC..Hα-helixtrans-69.3-36.6-171.6-171.6-86.5000113.5F103 P240 T241 P242 H348F103-Y107 AromaticContact CE1-CD2 3.98Å; F103-Y107 HydrophobicContact CE1-CD2 3.98Å; F103-Y107 HydrophobicContact CE1-CG 4.03Å; F103-Y107 AromaticContact CZ-CD2 3.76Å; F103-Y107 HydrophobicContact CZ-CD2 3.76Å; F103-Y107 HydrophobicContact CZ-CG 4.21Å; F103-Y107 PolarHBondContact O-N 3.11Å; Y107-P240 HydrophobicContact CE1-CB 4.39Å; Y107-T241 WeakPolarHBondContact CD2-OG1 2.91Å; Y107-T241 HydrophobicContact CE2-CG2 4.1Å; Y107-T241 WeakPolarHBondContact CE2-OG1 3.35Å; Y107-T241 WeakPolarHBondContact OH-CG2 3.08Å; Y107-P242 HydrophobicContact CD1-CG 3.84Å; Y107-P242 HydrophobicContact CG-CG 4.13Å; Y107-H348 HydrophobicContact CD2-CB 4.13Å; Y107-H348 HydrophobicContact CE2-CB 3.99Å
108M94.7Very high94.4Very high2 Ų234.6 Ų34.61%0.0119%0.19CC..THydrogen-bonded Turntrans-102.118.3-176.5-59.2-65.5-75.400112.8S104 S110 D111 I114 F117 P240S104-M108 WeakPolarHBondContact O-CB 3.44Å; S104-M108 PolarHBondContact O-N 2.87Å; M108-S110 PolarHBondContact O-N 2.72Å; M108-D111 HydrophobicContact CE-CB 4.19Å; M108-D111 WeakPolarHBondContact CE-OD2 3.22Å; M108-D111 PolarHBondContact O-N 3.4Å; M108-D111 VanDerWaalsContact O-N 3.07Å; M108-I114 HydrophobicContact CB-CD1 4.34Å; M108-I114 HydrophobicContact CB-CG1 4.37Å; M108-F117 HydrophobicContact CE-CD2 4.12Å; M108-F117 HydrophobicContact CE-CE2 4.3Å; M108-F117 HydrophobicContact CE-CG 4.44Å; M108-F117 HydrophobicContact CG-CD1 4.38Å; M108-F117 HydrophobicContact CG-CE1 4.25Å; M108-F117 HydrophobicContact CG-CZ 4.47Å; M108-P240 HydrophobicContact SD-CB 4.16Å
109N91.9Very high94.2Very high130 Ų13034.9 Ų34.970%0.69519%0.192SC*.THydrogen-bonded Turntrans-62.8-27.8-174.9-168.630000113.1D111N109-D111 VanDerWaalsContact C-N 3.34Å
110S91.4Very high94.2Very high101 Ų10136.9 Ų36.971%0.70620%0.2SC*.THydrogen-bonded Turntrans-77.4-17.7177.357.10000113.9M108M108-S110 PolarHBondContact O-N 2.72Å
111D93Very high94.1Very high35 Ų3537 Ų3719%0.18720%0.201CC..  trans-82.9125-172.5-92.613.6000110.9M108 N109 N113 I114 W157M108-D111 HydrophobicContact CE-CB 4.19Å; M108-D111 WeakPolarHBondContact CE-OD2 3.22Å; M108-D111 PolarHBondContact O-N 3.4Å; M108-D111 VanDerWaalsContact O-N 3.07Å; N109-D111 VanDerWaalsContact C-N 3.34Å; D111-N113 PolarHBondContact O-N 2.97Å; D111-I114 PolarHBondContact O-N 3.42Å; D111-W157 PolarHBondContact OD2-NE1 3.45Å
112P90.8Very high94.1Very high119 Ų11937 Ų3777%0.77320%0.201SC*.THydrogen-bonded Turntrans-66.1-24.9-178.326.2-34.5000112.9
113N92Very high94Very high85 Ų8538.5 Ų38.546%0.45521%0.209SC..THydrogen-bonded Turntrans-97.727.4-176.5-65.9-22.3000113.3D111 N115 Q116 F117 W157D111-N113 PolarHBondContact O-N 2.97Å; N113-N115 PolarHBondContact O-N 2.88Å; N113-N115 VanDerWaalsContact O-N 3.16Å; N113-Q116 WeakPolarHBondContact O-CB 3.35Å; N113-Q116 PolarHBondContact O-N 3.44Å; N113-F117 PolarHBondContact O-N 2.91Å; N113-W157 HydrophobicContact CB-CH2 4.16Å; N113-W157 HydrophobicContact CB-CZ2 4.03Å; N113-W157 WeakPolarHBondContact O-CH2 3.23Å
114I92.1Very high94Very high30 Ų3038.5 Ų38.515%0.15421%0.209CC..Hα-helixtrans-54.1-36.3-179.4-166.6171.3000113P33 M108 D111 Q116 F117 F118P33-I114 HydrophobicContact CG-CD1 4.39Å; P33-I114 HydrophobicContact CG-CG1 4.28Å; P33-I114 HydrophobicContact CG-CG2 4.18Å; M108-I114 HydrophobicContact CB-CD1 4.34Å; M108-I114 HydrophobicContact CB-CG1 4.37Å; D111-I114 PolarHBondContact O-N 3.42Å; I114-Q116 VanDerWaalsContact C-N 3.33Å; I114-Q116 PolarHBondContact O-N 3.47Å; I114-F117 WeakPolarHBondContact O-CB 3.34Å; I114-F117 PolarHBondContact O-N 3.27Å; I114-F117 VanDerWaalsContact O-N 3.17Å; I114-F118 HydrophobicContact CD1-CE2 3.94Å; I114-F118 HydrophobicContact CG1-CD2 3.78Å; I114-F118 HydrophobicContact CG1-CE2 3.64Å; I114-F118 WeakPolarHBondContact O-CD2 3.47Å; I114-F118 PolarHBondContact O-N 2.91Å
115N91.8Very high93.9Very high41 Ų4138.8 Ų38.822%0.21921%0.21CC..Hα-helixtrans-63.1-39.3179-66.2-18.9000112.4Y32 P33 N113 F117 K119Y32-N115 HydrophobicContact CD1-CB 3.93Å; Y32-N115 WeakPolarHBondContact CE1-O 3.1Å; P33-N115 VanDerWaalsContact CD-OD1 3.28Å; P33-N115 WeakPolarHBondContact CD-OD1 3.35Å; P33-N115 WeakPolarHBondContact CG-OD1 3.32Å; N113-N115 PolarHBondContact O-N 2.88Å; N113-N115 VanDerWaalsContact O-N 3.16Å; N115-F117 VanDerWaalsContact C-N 3.34Å; N115-K119 PolarHBondContact O-N 2.9Å
116Q92.1Very high93.9Very high71 Ų7139.5 Ų39.533%0.33221%0.214SC..Hα-helixtrans-68.2-37.3176.6-179.2179.33.900111.1N113 I114 K119 Y120 W157N113-Q116 WeakPolarHBondContact O-CB 3.35Å; N113-Q116 PolarHBondContact O-N 3.44Å; I114-Q116 VanDerWaalsContact C-N 3.33Å; I114-Q116 PolarHBondContact O-N 3.47Å; Q116-K119 WeakPolarHBondContact O-CB 3.4Å; Q116-K119 PolarHBondContact O-N 3.5Å; Q116-Y120 HydrophobicContact CG-CD2 4.34Å; Q116-Y120 HydrophobicContact CG-CE1 4.21Å; Q116-Y120 HydrophobicContact CG-CE2 3.86Å; Q116-Y120 PolarHBondContact NE2-OH 2.87Å; Q116-Y120 PolarHBondContact O-N 3.47Å; Q116-W157 HydrophobicContact CB-CH2 4.07Å; Q116-W157 HydrophobicContact CG-CH2 4.15Å; Q116-W157 HydrophobicContact CG-CZ3 4.17Å
117F94.6Very high93.9Very high0 Ų039.3 Ų39.30%022%0.215CC..Hα-helixtrans-59.7-50175-177.1-96.8000111.7M108 N113 I114 N115 K119 Y120 L121 L154 W157 P240 P242 V243M108-F117 HydrophobicContact CE-CD2 4.12Å; M108-F117 HydrophobicContact CE-CE2 4.3Å; M108-F117 HydrophobicContact CE-CG 4.44Å; M108-F117 HydrophobicContact CG-CD1 4.38Å; M108-F117 HydrophobicContact CG-CE1 4.25Å; M108-F117 HydrophobicContact CG-CZ 4.47Å; N113-F117 PolarHBondContact O-N 2.91Å; I114-F117 WeakPolarHBondContact O-CB 3.34Å; I114-F117 PolarHBondContact O-N 3.27Å; I114-F117 VanDerWaalsContact O-N 3.17Å; N115-F117 VanDerWaalsContact C-N 3.34Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 3.35Å; F117-Y120 PolarHBondContact O-N 3.09Å; F117-L121 HydrophobicContact CE1-CD1 4Å; F117-L121 HydrophobicContact CZ-CD1 4.42Å; F117-L121 WeakPolarHBondContact O-CB 3.33Å; F117-L121 PolarHBondContact O-N 2.68Å; F117-L154 HydrophobicContact CD2-CD2 4.4Å; F117-L154 HydrophobicContact CE2-CD2 4.26Å; F117-W157 HydrophobicContact CB-CH2 3.63Å; F117-W157 HydrophobicContact CB-CZ2 3.8Å; F117-W157 HydrophobicContact CB-CZ3 4.13Å; F117-W157 HydrophobicContact CD2-CD2 4.03Å; F117-W157 HydrophobicContact CD2-CE3 4.14Å; F117-W157 HydrophobicContact CD2-CH2 4.39Å; F117-W157 HydrophobicContact CD2-CZ2 4.27Å; F117-W157 HydrophobicContact CD2-CZ3 4.31Å; F117-P240 HydrophobicContact CE2-CG 3.85Å; F117-P240 HydrophobicContact CZ-CG 4.46Å; F117-P242 HydrophobicContact CE1-CB 4.44Å; F117-P242 HydrophobicContact CZ-CB 4.16Å; F117-P242 HydrophobicContact CZ-CG 4.45Å; F117-V243 HydrophobicContact CE2-CG2 3.51Å; F117-V243 HydrophobicContact CZ-CG2 3.69Å
118F94.1Very high93.9Very high0 Ų038.9 Ų38.90%021%0.214CC..Hα-helixtrans-63.9-34.3177.2-85.6-101.9000112.6Y32 P33 V36 M101 S104 L105 I114 L122Y32-F118 HydrophobicContact CD1-CB 4.38Å; Y32-F118 HydrophobicContact CE1-CB 3.94Å; P33-F118 HydrophobicContact CB-CD1 4.13Å; P33-F118 HydrophobicContact CB-CD2 3.89Å; P33-F118 HydrophobicContact CB-CE1 4Å; P33-F118 HydrophobicContact CB-CE2 3.76Å; P33-F118 HydrophobicContact CB-CG 4.07Å; P33-F118 HydrophobicContact CB-CZ 3.8Å; P33-F118 HydrophobicContact CG-CD2 4.2Å; P33-F118 HydrophobicContact CG-CE2 4.35Å; V36-F118 HydrophobicContact CB-CD1 4.28Å; V36-F118 HydrophobicContact CG1-CD1 4.42Å; M101-F118 HydrophobicContact CB-CE1 4.04Å; M101-F118 HydrophobicContact CE-CD1 4.12Å; M101-F118 HydrophobicContact CG-CE1 4.44Å; M101-F118 WeakPolarHBondContact O-CE1 3.23Å; M101-F118 VanDerWaalsContact O-CZ 3.29Å; M101-F118 WeakPolarHBondContact O-CZ 3.43Å; M101-F118 HydrophobicContact SD-CD1 3.39Å; M101-F118 WeakPolarHBondContact SD-CD1 3.48Å; M101-F118 HydrophobicContact SD-CE1 3.6Å; M101-F118 HydrophobicContact SD-CG 4.27Å; S104-F118 WeakPolarHBondContact OG-CE2 3.35Å; S104-F118 WeakPolarHBondContact OG-CZ 3.43Å; L105-F118 HydrophobicContact CD2-CE1 4.29Å; L105-F118 HydrophobicContact CD2-CE2 4.24Å; L105-F118 HydrophobicContact CD2-CZ 3.62Å; L105-F118 HydrophobicContact CG-CZ 3.87Å; I114-F118 HydrophobicContact CD1-CE2 3.94Å; I114-F118 HydrophobicContact CG1-CD2 3.78Å; I114-F118 HydrophobicContact CG1-CE2 3.64Å; I114-F118 WeakPolarHBondContact O-CD2 3.47Å; I114-F118 PolarHBondContact O-N 2.91Å; F118-L122 VanDerWaalsContact O-CB 3.32Å; F118-L122 WeakPolarHBondContact O-CB 3.03Å; F118-L122 PolarHBondContact O-N 3.28Å
119K93.9Very high94Very high60 Ų6039 Ų3926%0.26121%0.214SC..Hα-helixtrans-62.6-47.8173.1-175.4-177.668.9177.20111.5T22 N115 Q116 F117 L122 I123T22-K119 HydrophobicContact CG2-CD 4.21Å; T22-K119 WeakPolarHBondContact OG1-CD 3.11Å; N115-K119 PolarHBondContact O-N 2.9Å; Q116-K119 WeakPolarHBondContact O-CB 3.4Å; Q116-K119 PolarHBondContact O-N 3.5Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 3.35Å; K119-L122 PolarHBondContact O-N 3.45Å; K119-I123 HydrophobicContact CG-CD1 3.97Å; K119-I123 VanDerWaalsContact O-CG1 3.31Å; K119-I123 WeakPolarHBondContact O-CG1 3.33Å; K119-I123 PolarHBondContact O-N 2.62Å
120Y95.6Very high94.1Very high42 Ų4235 Ų3517%0.16519%0.193CC..Hα-helixtrans-64.7-41178.3-68.5-15.1000112.4Q116 F117 L122 I123 F124 L153 L154 W157Q116-Y120 HydrophobicContact CG-CD2 4.34Å; Q116-Y120 HydrophobicContact CG-CE1 4.21Å; Q116-Y120 HydrophobicContact CG-CE2 3.86Å; Q116-Y120 PolarHBondContact NE2-OH 2.87Å; Q116-Y120 PolarHBondContact O-N 3.47Å; F117-Y120 PolarHBondContact O-N 3.09Å; Y120-L122 VanDerWaalsContact C-N 3.32Å; Y120-L122 PolarHBondContact O-N 3.09Å; Y120-I123 PolarHBondContact O-N 3.04Å; Y120-F124 VanDerWaalsContact O-CB 3.29Å; Y120-F124 WeakPolarHBondContact O-CB 3.35Å; Y120-F124 PolarHBondContact O-N 3.38Å; Y120-L153 HydrophobicContact CD2-CB 4.44Å; Y120-L153 HydrophobicContact CE1-CD1 4.5Å; Y120-L153 HydrophobicContact CE2-CB 4.35Å; Y120-L154 HydrophobicContact CD2-CD2 4.38Å; Y120-W157 HydrophobicContact CD2-CE3 4.27Å; Y120-W157 AromaticContact CD2-CZ3 3.81Å; Y120-W157 HydrophobicContact CD2-CZ3 3.81Å; Y120-W157 HydrophobicContact CE2-CE3 4.47Å; Y120-W157 AromaticContact CE2-CZ3 3.94Å; Y120-W157 HydrophobicContact CE2-CZ3 3.94Å
121L94.9Very high94.3Very high2 Ų230.2 Ų30.21%0.0116%0.159CC..Hα-helixtrans-63.6-39.1176.5-159.3165.6000111.4I100 M101 F117 F124 L125 L246I100-L121 HydrophobicContact CG2-CD1 4.18Å; M101-L121 HydrophobicContact CE-CB 3.99Å; M101-L121 HydrophobicContact CE-CD2 3.46Å; M101-L121 VanDerWaalsContact CE-CD2 3.46Å; M101-L121 HydrophobicContact CE-CG 4.15Å; M101-L121 HydrophobicContact CG-CD2 4.17Å; M101-L121 HydrophobicContact SD-CB 4.13Å; M101-L121 HydrophobicContact SD-CD1 3.68Å; M101-L121 HydrophobicContact SD-CD2 3.58Å; M101-L121 VanDerWaalsContact SD-CD2 3.58Å; M101-L121 HydrophobicContact SD-CG 3.97Å; F117-L121 HydrophobicContact CE1-CD1 4Å; F117-L121 HydrophobicContact CZ-CD1 4.42Å; F117-L121 WeakPolarHBondContact O-CB 3.33Å; F117-L121 PolarHBondContact O-N 2.68Å; L121-F124 WeakPolarHBondContact O-CB 3.38Å; L121-F124 PolarHBondContact O-N 3.47Å; L121-L125 PolarHBondContact O-N 3.02Å; L121-L246 HydrophobicContact CD1-CD1 4.06Å; L121-L246 HydrophobicContact CD2-CD1 3.16Å; L121-L246 HydrophobicContact CG-CD1 3.65Å
122L95.2Very high94.5Very high1 Ų128.6 Ų28.61%0.00515%0.15CC..Hα-helixtrans-67.7-44.7175.3-176.666.8000112.7L15 P18 I19 V36 V40 M101 F118 K119 Y120 F124 L125 I126L15-L122 HydrophobicContact CB-CD1 4.47Å; L15-L122 HydrophobicContact CD2-CD1 3.96Å; P18-L122 HydrophobicContact CB-CD2 3.52Å; P18-L122 HydrophobicContact CG-CD2 3.69Å; I19-L122 HydrophobicContact CD1-CD2 4.27Å; I19-L122 HydrophobicContact CD1-CG 4.37Å; I19-L122 HydrophobicContact CG1-CD2 3.73Å; I19-L122 HydrophobicContact CG1-CG 4.31Å; V36-L122 HydrophobicContact CG1-CB 4.36Å; V36-L122 HydrophobicContact CG1-CD1 4.28Å; V36-L122 HydrophobicContact CG1-CD2 4.17Å; V40-L122 HydrophobicContact CG2-CD1 4.19Å; M101-L122 HydrophobicContact CE-CB 4.25Å; F118-L122 VanDerWaalsContact O-CB 3.32Å; F118-L122 WeakPolarHBondContact O-CB 3.03Å; F118-L122 PolarHBondContact O-N 3.28Å; K119-L122 PolarHBondContact O-N 3.45Å; Y120-L122 VanDerWaalsContact C-N 3.32Å; Y120-L122 PolarHBondContact O-N 3.09Å; L122-F124 VanDerWaalsContact C-N 3.27Å; L122-F124 PolarHBondContact O-N 2.97Å; L122-L125 HydrophobicContact CD1-CD2 4.3Å; L122-L125 WeakPolarHBondContact O-CB 3.3Å; L122-L125 PolarHBondContact O-N 2.71Å; L122-L125 VanDerWaalsContact O-N 3.13Å; L122-I126 HydrophobicContact CG-CD1 4.44Å; L122-I126 WeakPolarHBondContact O-CG1 3.04Å; L122-I126 PolarHBondContact O-N 2.88Å
123I95.8Very high94.7Very high39 Ų3922.9 Ų22.920%0.211%0.114CC..Hα-helixtrans-60.6-42.3176.3-66.2163.9000110.1I19 K119 Y120 L125 I126 T127 M150I19-I123 HydrophobicContact CD1-CG1 3.7Å; I19-I123 HydrophobicContact CG1-CG1 4.26Å; K119-I123 HydrophobicContact CG-CD1 3.97Å; K119-I123 VanDerWaalsContact O-CG1 3.31Å; K119-I123 WeakPolarHBondContact O-CG1 3.33Å; K119-I123 PolarHBondContact O-N 2.62Å; Y120-I123 PolarHBondContact O-N 3.04Å; I123-L125 VanDerWaalsContact C-N 3.3Å; I123-L125 PolarHBondContact O-N 3.05Å; I123-I126 PolarHBondContact O-N 3.11Å; I123-T127 HydrophobicContact CG2-CG2 4.38Å; I123-T127 WeakPolarHBondContact O-CG2 3.14Å; I123-T127 PolarHBondContact O-N 3.34Å; I123-T127 PolarHBondContact O-OG1 3.48Å; I123-M150 HydrophobicContact CB-SD 4Å; I123-M150 HydrophobicContact CG2-CE 3.66Å; I123-M150 HydrophobicContact CG2-CG 3.89Å; I123-M150 HydrophobicContact CG2-SD 3.57Å; I123-M150 VanDerWaalsContact CG2-SD 3.57Å
124F96.1Very high94.8Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-57.6-42.7174.8178.8-78.8000112.1Y120 L121 L122 T127 M128 V147 M150 L154 L246 L247 T251 M252Y120-F124 VanDerWaalsContact O-CB 3.29Å; Y120-F124 WeakPolarHBondContact O-CB 3.35Å; Y120-F124 PolarHBondContact O-N 3.38Å; L121-F124 WeakPolarHBondContact O-CB 3.38Å; L121-F124 PolarHBondContact O-N 3.47Å; L122-F124 VanDerWaalsContact C-N 3.27Å; L122-F124 PolarHBondContact O-N 2.97Å; F124-T127 PolarHBondContact O-N 3.37Å; F124-T127 PolarHBondContact O-OG1 3.25Å; F124-M128 PolarHBondContact O-N 3.17Å; F124-V147 HydrophobicContact CE2-CB 4.32Å; F124-V147 HydrophobicContact CE2-CG1 3.63Å; F124-V147 HydrophobicContact CZ-CG1 3.82Å; F124-M150 HydrophobicContact CB-CB 3.92Å; F124-M150 HydrophobicContact CB-CG 4.37Å; F124-M150 HydrophobicContact CD2-CB 3.7Å; F124-M150 HydrophobicContact CG-CB 4.3Å; F124-L154 HydrophobicContact CB-CD1 4.27Å; F124-L154 HydrophobicContact CD2-CD1 4.34Å; F124-L154 HydrophobicContact CG-CD1 4.39Å; F124-L246 HydrophobicContact CD1-CD2 3.18Å; F124-L246 HydrophobicContact CE1-CD2 3.02Å; F124-L246 HydrophobicContact CG-CD2 4.23Å; F124-L246 HydrophobicContact CZ-CD2 3.93Å; F124-L247 HydrophobicContact CD2-CD2 3.9Å; F124-L247 HydrophobicContact CE1-CD2 4.2Å; F124-L247 HydrophobicContact CE2-CD2 3.15Å; F124-L247 HydrophobicContact CZ-CD2 3.35Å; F124-T251 VanDerWaalsContact CE1-CB 3.41Å; F124-T251 HydrophobicContact CE1-CG2 3.83Å; F124-T251 WeakPolarHBondContact CE1-OG1 3.42Å; F124-T251 WeakPolarHBondContact CZ-OG1 3.33Å; F124-M252 HydrophobicContact CE2-CB 4.39Å; F124-M252 HydrophobicContact CZ-CB 4.06Å
125L95.3Very high94.9Very high5 Ų518 Ų183%0.0269%0.088CC..Hα-helixtrans-65.5-40.8176.7171.3139000111.9L15 L94 T97 L121 L122 I123 M128 L129L15-L125 HydrophobicContact CD1-CD2 3.4Å; L15-L125 VanDerWaalsContact CD1-CD2 3.4Å; L15-L125 HydrophobicContact CD2-CD2 3.69Å; L15-L125 HydrophobicContact CG-CD2 4.11Å; L94-L125 HydrophobicContact CD2-CD1 4.06Å; L94-L125 HydrophobicContact CD2-CD2 4.22Å; T97-L125 HydrophobicContact CG2-CD1 3.34Å; T97-L125 HydrophobicContact CG2-CG 4.47Å; T97-L125 WeakPolarHBondContact OG1-CD1 3.4Å; L121-L125 PolarHBondContact O-N 3.02Å; L122-L125 HydrophobicContact CD1-CD2 4.3Å; L122-L125 WeakPolarHBondContact O-CB 3.3Å; L122-L125 PolarHBondContact O-N 2.71Å; L122-L125 VanDerWaalsContact O-N 3.13Å; I123-L125 VanDerWaalsContact C-N 3.3Å; I123-L125 PolarHBondContact O-N 3.05Å; L125-M128 PolarHBondContact O-N 3.48Å; L125-L129 HydrophobicContact CD2-CD1 3.73Å; L125-L129 HydrophobicContact CG-CD1 4.17Å; L125-L129 WeakPolarHBondContact O-CG 3.23Å; L125-L129 PolarHBondContact O-N 3.18Å
126I95.7Very high94.9Very high31 Ų3116.3 Ų16.316%0.1598%0.079CC..Hα-helixtrans-63.8-45.6176.9-67.1174.9000110.9L15 I19 L122 I123 M128 L129 I130L15-I126 HydrophobicContact CB-CD1 3.93Å; L15-I126 HydrophobicContact CB-CG1 3.84Å; L15-I126 HydrophobicContact CD1-CG1 4.32Å; I19-I126 HydrophobicContact CD1-CD1 3.26Å; I19-I126 HydrophobicContact CG1-CD1 4.46Å; L122-I126 HydrophobicContact CG-CD1 4.44Å; L122-I126 WeakPolarHBondContact O-CG1 3.04Å; L122-I126 PolarHBondContact O-N 2.88Å; I123-I126 PolarHBondContact O-N 3.11Å; I126-M128 VanDerWaalsContact C-N 3.28Å; I126-M128 PolarHBondContact O-N 3.35Å; I126-L129 PolarHBondContact O-N 3.42Å; I126-I130 HydrophobicContact CG2-CD1 3.82Å; I126-I130 HydrophobicContact CG2-CG1 4.38Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.32Å; I126-I130 PolarHBondContact O-N 2.97Å
127T96.1Very high95Very high19 Ų1913.1 Ų13.112%0.1176%0.064CC..Hα-helixtrans-63.4-35.9178.356.10000111.8I123 F124 I130 L131 G143 V147I123-T127 HydrophobicContact CG2-CG2 4.38Å; I123-T127 WeakPolarHBondContact O-CG2 3.14Å; I123-T127 PolarHBondContact O-N 3.34Å; I123-T127 PolarHBondContact O-OG1 3.48Å; F124-T127 PolarHBondContact O-N 3.37Å; F124-T127 PolarHBondContact O-OG1 3.25Å; T127-I130 PolarHBondContact O-N 3.46Å; T127-L131 PolarHBondContact O-N 3.24Å; T127-G143 WeakPolarHBondContact O-CA 3.38Å; T127-V147 WeakPolarHBondContact OG1-CG2 3.43Å
128M95.6Very high94.9Very high4 Ų416.8 Ų16.82%0.028%0.079CC..Hα-helixtrans-66.9-41.6173.7-171.562.7-164.100112.7F89 F124 L125 I126 I130 L131 V132 V147 T251 A255F89-M128 HydrophobicContact CE1-CE 3.81Å; F89-M128 HydrophobicContact CE1-CG 4.28Å; F89-M128 HydrophobicContact CZ-CE 3.56Å; F124-M128 PolarHBondContact O-N 3.17Å; L125-M128 PolarHBondContact O-N 3.48Å; I126-M128 VanDerWaalsContact C-N 3.28Å; I126-M128 PolarHBondContact O-N 3.35Å; M128-I130 VanDerWaalsContact C-N 3.34Å; M128-L131 HydrophobicContact CE-CD2 4.44Å; M128-L131 WeakPolarHBondContact O-CB 3.27Å; M128-L131 PolarHBondContact O-N 3.2Å; M128-V132 HydrophobicContact CE-CG2 3.67Å; M128-V132 WeakPolarHBondContact O-CG2 3.09Å; M128-V132 PolarHBondContact O-N 3.43Å; M128-V147 HydrophobicContact CB-CG2 4.14Å; M128-V147 HydrophobicContact SD-CG2 4.16Å; M128-T251 HydrophobicContact CB-CG2 4.48Å; M128-T251 VanDerWaalsContact CE-O 3.31Å; M128-T251 WeakPolarHBondContact CE-O 3.42Å; M128-T251 HydrophobicContact CG-CG2 3.92Å; M128-A255 HydrophobicContact CE-CB 4.35Å
129L95.2Very high95Very high4 Ų417.4 Ų17.42%0.0218%0.082CC..Hα-helixtrans-66.2-37.6176.2-70171.4000111.7L12 L15 I90 L94 L125 I126 L131 V132 T133L12-L129 HydrophobicContact CD2-CB 4.01Å; L15-L129 HydrophobicContact CD1-CD1 3.27Å; I90-L129 HydrophobicContact CB-CD2 4.26Å; I90-L129 HydrophobicContact CG1-CD2 3.88Å; I90-L129 HydrophobicContact CG2-CD2 4.01Å; L94-L129 HydrophobicContact CD2-CD1 4.21Å; L125-L129 HydrophobicContact CD2-CD1 3.73Å; L125-L129 HydrophobicContact CG-CD1 4.17Å; L125-L129 WeakPolarHBondContact O-CG 3.23Å; L125-L129 PolarHBondContact O-N 3.18Å; I126-L129 PolarHBondContact O-N 3.42Å; L129-L131 VanDerWaalsContact C-N 3.33Å; L129-V132 PolarHBondContact O-N 2.8Å; L129-T133 WeakPolarHBondContact O-CB 3.19Å; L129-T133 WeakPolarHBondContact O-CG2 3.27Å; L129-T133 PolarHBondContact O-N 3.49Å; L129-T133 PolarHBondContact O-OG1 3.22Å
130I95.6Very high95.1Very high47 Ų4715 Ų1524%0.2417%0.071CC..Hα-helixtrans-60.2-44.5172-68.7166.7000110.4I126 T127 M128 A134 Q139I126-I130 HydrophobicContact CG2-CD1 3.82Å; I126-I130 HydrophobicContact CG2-CG1 4.38Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.32Å; I126-I130 PolarHBondContact O-N 2.97Å; T127-I130 PolarHBondContact O-N 3.46Å; M128-I130 VanDerWaalsContact C-N 3.34Å; I130-A134 WeakPolarHBondContact O-CB 2.94Å; I130-A134 PolarHBondContact O-N 2.89Å; I130-Q139 HydrophobicContact CG2-CG 3.9Å
131L95.8Very high95.2Very high0 Ų014.8 Ų14.80%07%0.072CC..Hα-helixtrans-59.9-47.6178-172.1159.4000111.7T127 M128 L129 L140 W144 A255 F258T127-L131 PolarHBondContact O-N 3.24Å; M128-L131 HydrophobicContact CE-CD2 4.44Å; M128-L131 WeakPolarHBondContact O-CB 3.27Å; M128-L131 PolarHBondContact O-N 3.2Å; L129-L131 VanDerWaalsContact C-N 3.33Å; L131-L140 HydrophobicContact CG-CG 4.44Å; L131-W144 HydrophobicContact CD1-CB 4.3Å; L131-W144 HydrophobicContact CD1-CE3 4.25Å; L131-A255 HydrophobicContact CD1-CB 3.81Å; L131-A255 HydrophobicContact CD2-CB 4.27Å; L131-F258 HydrophobicContact CD2-CD1 3.87Å; L131-F258 HydrophobicContact CD2-CE1 4.22Å
132V95.7Very high95.2Very high0 Ų018.7 Ų18.70%09%0.092CC..Hα-helixtrans-70.3-35.2-175.3169.20000112.6F89 M128 L129 F258 R262F89-V132 HydrophobicContact CB-CG1 4.1Å; F89-V132 HydrophobicContact CD1-CB 4.04Å; F89-V132 HydrophobicContact CD1-CG1 3.66Å; F89-V132 HydrophobicContact CD1-CG2 3.41Å; F89-V132 VanDerWaalsContact CD1-CG2 3.41Å; F89-V132 HydrophobicContact CE1-CB 4.35Å; F89-V132 HydrophobicContact CE1-CG1 4.45Å; F89-V132 HydrophobicContact CE1-CG2 3.32Å; F89-V132 HydrophobicContact CG-CG1 4.18Å; F89-V132 HydrophobicContact CG-CG2 4.28Å; F89-V132 HydrophobicContact CZ-CG2 4.16Å; M128-V132 HydrophobicContact CE-CG2 3.67Å; M128-V132 WeakPolarHBondContact O-CG2 3.09Å; M128-V132 PolarHBondContact O-N 3.43Å; L129-V132 PolarHBondContact O-N 2.8Å; V132-F258 HydrophobicContact CB-CE1 4.29Å; V132-F258 HydrophobicContact CB-CZ 3.99Å; V132-F258 HydrophobicContact CG1-CE1 4.43Å; V132-F258 HydrophobicContact CG1-CE2 4.06Å; V132-F258 HydrophobicContact CG1-CZ 3.65Å; V132-F258 HydrophobicContact CG2-CE1 4.25Å; V132-F258 HydrophobicContact CG2-CE2 4.45Å; V132-F258 HydrophobicContact CG2-CZ 4.12Å; V132-F258 WeakPolarHBondContact O-CZ 3.45Å; V132-R262 PolarHBondContact O-NH2 3.45Å
133T95.1Very high95.3Very high0 Ų018.7 Ų18.70%09%0.091CC..Hα-helixtrans-90.5-6.5-178.456.30000113.3F80 K81 I90 L129 N135F80-T133 CarbonylContact C-O 3.21Å; F80-T133 VanDerWaalsContact CA-O 3.23Å; F80-T133 WeakPolarHBondContact CA-O 3.29Å; F80-T133 VanDerWaalsContact CD1-OG1 3.31Å; F80-T133 WeakPolarHBondContact CD1-OG1 3.45Å; K81-T133 PolarHBondContact N-O 3.09Å; I90-T133 HydrophobicContact CD1-CG2 3.65Å; I90-T133 HydrophobicContact CG1-CG2 4.35Å; L129-T133 WeakPolarHBondContact O-CB 3.19Å; L129-T133 WeakPolarHBondContact O-CG2 3.27Å; L129-T133 PolarHBondContact O-N 3.49Å; L129-T133 PolarHBondContact O-OG1 3.22Å; T133-N135 PolarHBondContact O-N 3.4Å
134A95Very high95.3Very high4 Ų416.9 Ų16.93%0.0338%0.082CC..BIsolated β-bridgetrans-61.2126.7-178.300000111.5I130 Q139 L140I130-A134 WeakPolarHBondContact O-CB 2.94Å; I130-A134 PolarHBondContact O-N 2.89Å; A134-Q139 HydrophobicContact CB-CB 3.99Å; A134-Q139 HydrophobicContact CB-CG 3.81Å; A134-L140 HydrophobicContact CB-CB 3.78Å; A134-L140 HydrophobicContact CB-CG 4.36Å
135N93.5Very high95.3Very high9 Ų918 Ų185%0.0489%0.087CC..  trans-83.9-48164.9-170.558.2000110.6S79 K81 T133 P198 Q199S79-N135 WeakPolarHBondContact O-CB 3.17Å; S79-N135 PolarHBondContact O-N 3.25Å; S79-N135 WeakPolarHBondContact OG-CB 3.09Å; K81-N135 HydrophobicContact CB-CB 3.93Å; T133-N135 PolarHBondContact O-N 3.4Å; N135-P198 WeakPolarHBondContact O-CD 3.18Å; N135-Q199 PolarHBondContact OD1-NE2 3.26Å; N135-Q199 PolarHBondContact OD1-OE1 3.06Å; N135-Q199 VanDerWaalsContact OD1-OE1 3.09Å
136N93.2Very high95.4Very high5 Ų518.3 Ų18.33%0.0279%0.092CC..SBendtrans-84.4138.3-174.6-59.24.9000110.5S77 S79 Y138 Q139 L140 D197S77-N136 PolarHBondContact O-ND2 2.89Å; S79-N136 PolarHBondContact OG-ND2 3.46Å; S79-N136 VanDerWaalsContact OG-ND2 3.11Å; S79-N136 PolarHBondContact OG-OD1 2.97Å; N136-Y138 PolarHBondContact O-N 3.36Å; N136-Y138 VanDerWaalsContact O-N 3.16Å; N136-Q139 WeakPolarHBondContact O-CB 3.2Å; N136-Q139 PolarHBondContact O-N 2.99Å; N136-L140 PolarHBondContact O-N 3.43Å; N136-D197 PolarHBondContact OD1-OD1 3.37Å
137L93.1Very high95.4Very high3 Ų316.9 Ų16.92%0.0169%0.085CC..Hα-helixtrans-55.8-33.4177.9-88.3178.7000113.8L140 F141 F182 L186 F189 W196 M201 F263L137-L140 WeakPolarHBondContact O-CB 3.35Å; L137-L140 PolarHBondContact O-N 3.21Å; L137-F141 PolarHBondContact O-N 3.3Å; L137-F182 HydrophobicContact CD2-CE1 4.47Å; L137-F182 HydrophobicContact CD2-CZ 3.98Å; L137-L186 HydrophobicContact CB-CD2 3.52Å; L137-L186 HydrophobicContact CD1-CD2 4.14Å; L137-L186 HydrophobicContact CG-CD2 4.41Å; L137-F189 HydrophobicContact CD1-CD2 3.45Å; L137-F189 VanDerWaalsContact CD1-CD2 3.45Å; L137-F189 HydrophobicContact CD1-CE2 3.93Å; L137-F189 HydrophobicContact CD1-CG 4.35Å; L137-W196 HydrophobicContact CB-CB 4.3Å; L137-W196 PolarHBondContact N-O 3.5Å; L137-M201 HydrophobicContact CD1-CE 3.47Å; L137-M201 VanDerWaalsContact CD1-CE 3.47Å; L137-M201 HydrophobicContact CD1-SD 4.03Å; L137-M201 HydrophobicContact CG-CE 4.22Å; L137-F263 HydrophobicContact CD1-CZ 4.08Å; L137-F263 HydrophobicContact CD2-CE1 4.42Å; L137-F263 HydrophobicContact CD2-CE2 3.57Å; L137-F263 HydrophobicContact CD2-CZ 3.25Å; L137-F263 HydrophobicContact CG-CZ 3.77Å
138Y93.7Very high95.3Very high77 Ų7716 Ų1630%0.3028%0.08SC..Hα-helixtrans-67-42.1176-178.6-97.9000112.6W68 N136 L140 F141 I142 W196W68-Y138 HydrophobicContact CE3-CE1 4.1Å; W68-Y138 AromaticContact CH2-CE1 3.55Å; W68-Y138 HydrophobicContact CH2-CE1 3.55Å; W68-Y138 AromaticContact CH2-CZ 3.76Å; W68-Y138 WeakPolarHBondContact CH2-OH 3.45Å; W68-Y138 AromaticContact CZ3-CD1 3.87Å; W68-Y138 HydrophobicContact CZ3-CD1 3.87Å; W68-Y138 AromaticContact CZ3-CE1 3.15Å; W68-Y138 HydrophobicContact CZ3-CE1 3.15Å; W68-Y138 AromaticContact CZ3-CZ 3.7Å; N136-Y138 PolarHBondContact O-N 3.36Å; N136-Y138 VanDerWaalsContact O-N 3.16Å; Y138-L140 VanDerWaalsContact C-N 3.29Å; Y138-L140 PolarHBondContact O-N 3.41Å; Y138-F141 WeakPolarHBondContact O-CB 3.48Å; Y138-F141 PolarHBondContact O-N 3.49Å; Y138-I142 HydrophobicContact CD1-CD1 3.92Å; Y138-I142 HydrophobicContact CE1-CD1 3.49Å; Y138-I142 VanDerWaalsContact CE1-CD1 3.49Å; Y138-I142 HydrophobicContact CE1-CG1 4.15Å; Y138-I142 PolarHBondContact O-N 2.99Å; Y138-W196 VanDerWaalsContact CB-CZ3 3.46Å; Y138-W196 HydrophobicContact CD1-CZ3 4.47Å; Y138-W196 HydrophobicContact CD2-CH2 4.15Å; Y138-W196 AromaticContact CD2-CZ3 3.87Å; Y138-W196 HydrophobicContact CD2-CZ3 3.87Å; Y138-W196 HydrophobicContact CG-CE3 4.12Å; Y138-W196 HydrophobicContact CG-CH2 4.43Å; Y138-W196 AromaticContact CG-CZ3 3.68Å; Y138-W196 HydrophobicContact CG-CZ3 3.68Å
139Q95.6Very high95.3Very high14 Ų1419.5 Ų19.57%0.06510%0.098CC..Hα-helixtrans-65.1-37.7173.7-178.1177.8-22.600111S79 I130 A134 N136 F141 I142 G143S79-Q139 PolarHBondContact O-OE1 3.17Å; S79-Q139 VanDerWaalsContact O-OE1 3.07Å; I130-Q139 HydrophobicContact CG2-CG 3.9Å; A134-Q139 HydrophobicContact CB-CB 3.99Å; A134-Q139 HydrophobicContact CB-CG 3.81Å; N136-Q139 WeakPolarHBondContact O-CB 3.2Å; N136-Q139 PolarHBondContact O-N 2.99Å; Q139-F141 VanDerWaalsContact C-N 3.3Å; Q139-F141 PolarHBondContact O-N 3.14Å; Q139-I142 PolarHBondContact O-N 2.77Å; Q139-G143 PolarHBondContact O-N 3.49Å; Q139-G143 VanDerWaalsContact O-N 3.09Å
140L95.9Very high95.3Very high8 Ų820.7 Ų20.74%0.04210%0.104CC..Hα-helixtrans-61.4-41.4173.8-161.7155.1000110.5L131 A134 N136 L137 Y138 G143 W144 F182 L259L131-L140 HydrophobicContact CG-CG 4.44Å; A134-L140 HydrophobicContact CB-CB 3.78Å; A134-L140 HydrophobicContact CB-CG 4.36Å; N136-L140 PolarHBondContact O-N 3.43Å; L137-L140 WeakPolarHBondContact O-CB 3.35Å; L137-L140 PolarHBondContact O-N 3.21Å; Y138-L140 VanDerWaalsContact C-N 3.29Å; Y138-L140 PolarHBondContact O-N 3.41Å; L140-G143 PolarHBondContact O-N 3.3Å; L140-W144 HydrophobicContact CD2-CE3 4.5Å; L140-W144 VanDerWaalsContact O-CB 3.27Å; L140-W144 WeakPolarHBondContact O-CB 3.4Å; L140-W144 PolarHBondContact O-N 3Å; L140-F182 HydrophobicContact CB-CZ 4.45Å; L140-F182 HydrophobicContact CD2-CE2 3.43Å; L140-F182 VanDerWaalsContact CD2-CE2 3.43Å; L140-F182 HydrophobicContact CD2-CZ 3.55Å; L140-L259 HydrophobicContact CD2-CD1 4.39Å
141F96.4Very high95.3Very high39 Ų3918.5 Ų18.517%0.1719%0.092CC..Hα-helixtrans-63.4-39.8174.8-170.5-109.7000113L137 Y138 Q139 G143 W144 E145 F182 I183 L186L137-F141 PolarHBondContact O-N 3.3Å; Y138-F141 WeakPolarHBondContact O-CB 3.48Å; Y138-F141 PolarHBondContact O-N 3.49Å; Q139-F141 VanDerWaalsContact C-N 3.3Å; Q139-F141 PolarHBondContact O-N 3.14Å; F141-G143 VanDerWaalsContact C-N 3.33Å; F141-G143 PolarHBondContact O-N 3.06Å; F141-W144 WeakPolarHBondContact O-CB 3.47Å; F141-W144 PolarHBondContact O-N 3.48Å; F141-E145 HydrophobicContact CD1-CG 4.18Å; F141-E145 HydrophobicContact CD2-CG 4.41Å; F141-E145 HydrophobicContact CE1-CG 3.73Å; F141-E145 HydrophobicContact CE2-CG 3.98Å; F141-E145 HydrophobicContact CZ-CG 3.61Å; F141-E145 WeakPolarHBondContact CZ-OE1 3.26Å; F141-E145 WeakPolarHBondContact O-CB 3.48Å; F141-E145 WeakPolarHBondContact O-CG 3.35Å; F141-E145 PolarHBondContact O-N 3.1Å; F141-F182 HydrophobicContact CB-CD1 4.34Å; F141-F182 HydrophobicContact CB-CE1 3.68Å; F141-F182 HydrophobicContact CB-CZ 4.17Å; F141-F182 AromaticContact CD2-CD1 3.43Å; F141-F182 HydrophobicContact CD2-CD1 3.43Å; F141-F182 VanDerWaalsContact CD2-CD1 3.43Å; F141-F182 AromaticContact CD2-CE1 3.66Å; F141-F182 HydrophobicContact CD2-CE1 3.66Å; F141-F182 HydrophobicContact CD2-CG 4.07Å; F141-F182 HydrophobicContact CD2-CZ 4.42Å; F141-F182 HydrophobicContact CE2-CD1 4.14Å; F141-F182 HydrophobicContact CG-CD1 4.24Å; F141-F182 HydrophobicContact CG-CE1 4.07Å; F141-I183 HydrophobicContact CE2-CD1 4.45Å; F141-I183 HydrophobicContact CE2-CG1 4.1Å; F141-I183 HydrophobicContact CZ-CD1 4.14Å; F141-I183 HydrophobicContact CZ-CG1 4.15Å; F141-L186 HydrophobicContact CB-CD1 4.41Å; F141-L186 HydrophobicContact CD2-CD1 4.48Å; F141-L186 HydrophobicContact CG-CD1 4.34Å
142I96.5Very high95.3Very high84 Ų8421.7 Ų21.743%0.43111%0.106SC..Hα-helixtrans-58.3-47.4173.3-68.5168.3000110.5Y138 Q139 W144 G146Y138-I142 HydrophobicContact CD1-CD1 3.92Å; Y138-I142 HydrophobicContact CE1-CD1 3.49Å; Y138-I142 VanDerWaalsContact CE1-CD1 3.49Å; Y138-I142 HydrophobicContact CE1-CG1 4.15Å; Y138-I142 PolarHBondContact O-N 2.99Å; Q139-I142 PolarHBondContact O-N 2.77Å; I142-W144 VanDerWaalsContact C-N 3.35Å; I142-G146 PolarHBondContact O-N 2.91Å
143G96.5Very high95.3Very high0 Ų024.2 Ų24.20%012%0.12CC..Hα-helixtrans-62.3-42.5175.600000112.3T127 Q139 L140 F141 G146 V147T127-G143 WeakPolarHBondContact O-CA 3.38Å; Q139-G143 PolarHBondContact O-N 3.49Å; Q139-G143 VanDerWaalsContact O-N 3.09Å; L140-G143 PolarHBondContact O-N 3.3Å; F141-G143 VanDerWaalsContact C-N 3.33Å; F141-G143 PolarHBondContact O-N 3.06Å; G143-G146 PolarHBondContact O-N 2.95Å; G143-V147 WeakPolarHBondContact O-CB 3.21Å; G143-V147 VanDerWaalsContact O-CG2 3.27Å; G143-V147 WeakPolarHBondContact O-CG2 3.5Å; G143-V147 PolarHBondContact O-N 2.87Å
144W96.1Very high95.4Very high1 Ų124.3 Ų24.30%0.00412%0.12CC..Hα-helixtrans-59.7-47.2-179.4-177.5-89.7000113.2L131 L140 F141 I142 G148 D179 F182 A219 K223 A255 L259L131-W144 HydrophobicContact CD1-CB 4.3Å; L131-W144 HydrophobicContact CD1-CE3 4.25Å; L140-W144 HydrophobicContact CD2-CE3 4.5Å; L140-W144 VanDerWaalsContact O-CB 3.27Å; L140-W144 WeakPolarHBondContact O-CB 3.4Å; L140-W144 PolarHBondContact O-N 3Å; F141-W144 WeakPolarHBondContact O-CB 3.47Å; F141-W144 PolarHBondContact O-N 3.48Å; I142-W144 VanDerWaalsContact C-N 3.35Å; W144-G148 PolarHBondContact O-N 2.86Å; W144-D179 VanDerWaalsContact CD1-OD1 3.29Å; W144-D179 PolarHBondContact NE1-OD1 2.95Å; W144-F182 HydrophobicContact CD2-CD2 4.3Å; W144-F182 HydrophobicContact CD2-CE2 4.48Å; W144-F182 HydrophobicContact CE3-CE2 4.49Å; W144-F182 HydrophobicContact CZ2-CD2 4.46Å; W144-A219 HydrophobicContact CH2-CB 4.09Å; W144-A219 WeakPolarHBondContact CH2-O 3.1Å; W144-A219 HydrophobicContact CZ2-CB 3.86Å; W144-A219 WeakPolarHBondContact CZ2-O 3.33Å; W144-K223 HydrophobicContact CD2-CG 4.06Å; W144-K223 VanDerWaalsContact CE2-CE 3.46Å; W144-K223 VanDerWaalsContact CE2-CG 3.45Å; W144-K223 HydrophobicContact CE3-CG 4.26Å; W144-K223 HydrophobicContact CH2-CB 3.72Å; W144-K223 HydrophobicContact CH2-CG 3.34Å; W144-K223 HydrophobicContact CZ2-CB 3.93Å; W144-K223 HydrophobicContact CZ2-CD 4.19Å; W144-K223 HydrophobicContact CZ2-CG 3.08Å; W144-K223 HydrophobicContact CZ3-CB 4.3Å; W144-K223 HydrophobicContact CZ3-CG 3.92Å; W144-K223 VanDerWaalsContact NE1-CE 3.25Å; W144-K223 PolarHBondContact O-NZ 3.38Å; W144-A255 HydrophobicContact CZ3-CB 4.41Å; W144-L259 HydrophobicContact CE3-CD1 4.16Å; W144-L259 HydrophobicContact CH2-CD1 3.84Å; W144-L259 HydrophobicContact CZ3-CB 4.21Å; W144-L259 HydrophobicContact CZ3-CD1 3.57Å
145E96.5Very high95.4Very high23 Ų2324.2 Ų24.211%0.10712%0.119CC..Hα-helixtrans-69.2-44.6174.4-74-61.215400112.1F141 V147 G148 I149 R176 D179F141-E145 HydrophobicContact CD1-CG 4.18Å; F141-E145 HydrophobicContact CD2-CG 4.41Å; F141-E145 HydrophobicContact CE1-CG 3.73Å; F141-E145 HydrophobicContact CE2-CG 3.98Å; F141-E145 HydrophobicContact CZ-CG 3.61Å; F141-E145 WeakPolarHBondContact CZ-OE1 3.26Å; F141-E145 WeakPolarHBondContact O-CB 3.48Å; F141-E145 WeakPolarHBondContact O-CG 3.35Å; F141-E145 PolarHBondContact O-N 3.1Å; E145-V147 VanDerWaalsContact C-N 3.32Å; E145-V147 PolarHBondContact O-N 2.92Å; E145-G148 CarbonylContact O-C 3.58Å; E145-G148 WeakPolarHBondContact O-CA 3.37Å; E145-G148 PolarHBondContact O-N 3.48Å; E145-I149 WeakPolarHBondContact O-CG1 3.32Å; E145-I149 PolarHBondContact O-N 3.48Å; E145-R176 IonicContact OE1-CZ 3.71Å; E145-R176 IonicContact OE1-NH1 2.66Å; E145-R176 PolarHBondContact OE1-NH1 3.35Å; E145-R176 IonicContact OE2-CZ 3.11Å; E145-R176 IonicContact OE2-NH1 2.79Å; E145-R176 PolarHBondContact OE2-NH1 3.06Å; E145-R176 IonicContact OE2-NH2 2.68Å; E145-R176 PolarHBondContact OE2-NH2 2.92Å; E145-D179 VanDerWaalsContact OE1-CG 3.23Å
146G96.3Very high95.6Very high13 Ų1324.7 Ų24.713%0.13412%0.123CC..Hα-helixtrans-57.6-44.8179.200000112.1I142 G143 G148 M150I142-G146 PolarHBondContact O-N 2.91Å; G143-G146 PolarHBondContact O-N 2.95Å; G146-G148 VanDerWaalsContact C-N 3.32Å; G146-G148 PolarHBondContact O-N 3.02Å; G146-M150 WeakPolarHBondContact O-CB 3.42Å; G146-M150 VanDerWaalsContact O-CG 3.24Å; G146-M150 WeakPolarHBondContact O-CG 3.5Å; G146-M150 PolarHBondContact O-N 3.31Å
147V95.8Very high95.7Very high1 Ų125.7 Ų25.71%0.00613%0.126CC..Hα-helixtrans-62.1-40172.9169.50000111.1F124 T127 M128 G143 E145 S151 M252F124-V147 HydrophobicContact CE2-CB 4.32Å; F124-V147 HydrophobicContact CE2-CG1 3.63Å; F124-V147 HydrophobicContact CZ-CG1 3.82Å; T127-V147 WeakPolarHBondContact OG1-CG2 3.43Å; M128-V147 HydrophobicContact CB-CG2 4.14Å; M128-V147 HydrophobicContact SD-CG2 4.16Å; G143-V147 WeakPolarHBondContact O-CB 3.21Å; G143-V147 VanDerWaalsContact O-CG2 3.27Å; G143-V147 WeakPolarHBondContact O-CG2 3.5Å; G143-V147 PolarHBondContact O-N 2.87Å; E145-V147 VanDerWaalsContact C-N 3.32Å; E145-V147 PolarHBondContact O-N 2.92Å; V147-S151 WeakPolarHBondContact O-CB 3.27Å; V147-S151 PolarHBondContact O-N 3.4Å; V147-M252 HydrophobicContact CG1-CB 3.79Å; V147-M252 HydrophobicContact CG1-CG 3.82Å
148G95Very high95.8Very high1 Ų129.1 Ų29.11%0.0114%0.139CC..Hα-helixtrans-62.3-49.6176.900000113.5W144 E145 G146 S151 F152W144-G148 PolarHBondContact O-N 2.86Å; E145-G148 CarbonylContact O-C 3.58Å; E145-G148 WeakPolarHBondContact O-CA 3.37Å; E145-G148 PolarHBondContact O-N 3.48Å; G146-G148 VanDerWaalsContact C-N 3.32Å; G146-G148 PolarHBondContact O-N 3.02Å; G148-S151 PolarHBondContact O-N 2.84Å; G148-S151 PolarHBondContact O-OG 3.49Å; G148-F152 PolarHBondContact O-N 2.81Å; G148-F152 VanDerWaalsContact O-N 3.12Å
149I95.6Very high95.8Very high77 Ų7733.6 Ų33.640%0.39516%0.157SC..Hα-helixtrans-67.1-42.6-179.1-63.8165.6000110.9E145 S151 F152 L153E145-I149 WeakPolarHBondContact O-CG1 3.32Å; E145-I149 PolarHBondContact O-N 3.48Å; I149-S151 VanDerWaalsContact C-N 3.29Å; I149-S151 PolarHBondContact O-N 2.7Å; I149-F152 WeakPolarHBondContact O-CB 3.4Å; I149-F152 PolarHBondContact O-N 2.91Å; I149-L153 PolarHBondContact O-N 3.01Å; I149-L153 VanDerWaalsContact O-N 3.15Å
150M95.6Very high95.7Very high29 Ų2937.4 Ų37.414%0.14319%0.191CC..Hα-helixtrans-65.5-35.2177.1-67.3-59.3135.200111.7I123 F124 G146 F152 L153 L154I123-M150 HydrophobicContact CB-SD 4Å; I123-M150 HydrophobicContact CG2-CE 3.66Å; I123-M150 HydrophobicContact CG2-CG 3.89Å; I123-M150 HydrophobicContact CG2-SD 3.57Å; I123-M150 VanDerWaalsContact CG2-SD 3.57Å; F124-M150 HydrophobicContact CB-CB 3.92Å; F124-M150 HydrophobicContact CB-CG 4.37Å; F124-M150 HydrophobicContact CD2-CB 3.7Å; F124-M150 HydrophobicContact CG-CB 4.3Å; G146-M150 WeakPolarHBondContact O-CB 3.42Å; G146-M150 VanDerWaalsContact O-CG 3.24Å; G146-M150 WeakPolarHBondContact O-CG 3.5Å; G146-M150 PolarHBondContact O-N 3.31Å; M150-F152 VanDerWaalsContact C-N 3.34Å; M150-F152 PolarHBondContact O-N 3.22Å; M150-L153 HydrophobicContact CE-CD1 4.35Å; M150-L153 PolarHBondContact O-N 2.62Å; M150-L153 HydrophobicContact SD-CD1 4.27Å; M150-L154 WeakPolarHBondContact O-CB 3.38Å; M150-L154 VanDerWaalsContact O-CG 3.29Å; M150-L154 WeakPolarHBondContact O-CG 2.95Å; M150-L154 PolarHBondContact O-N 3.18Å
151S94.4Very high95.7Very high0 Ų043.4 Ų43.40%021%0.213CC..Hα-helixtrans-62.4-40.3173.2770000112.4V147 G148 I149 L153 L154 I155 M252V147-S151 WeakPolarHBondContact O-CB 3.27Å; V147-S151 PolarHBondContact O-N 3.4Å; G148-S151 PolarHBondContact O-N 2.84Å; G148-S151 PolarHBondContact O-OG 3.49Å; I149-S151 VanDerWaalsContact C-N 3.29Å; I149-S151 PolarHBondContact O-N 2.7Å; S151-L153 PolarHBondContact O-N 2.89Å; S151-L154 PolarHBondContact O-N 2.91Å; S151-I155 WeakPolarHBondContact O-CB 3.41Å; S151-I155 WeakPolarHBondContact O-CD1 3.28Å; S151-I155 WeakPolarHBondContact O-CG1 3.42Å; S151-I155 PolarHBondContact O-N 3.5Å; S151-M252 WeakPolarHBondContact CB-SD 3.34Å; S151-M252 VanDerWaalsContact OG-CE 3.28Å; S151-M252 WeakPolarHBondContact OG-CE 3.29Å
152F95.5Very high95.7Very high67 Ų6744.9 Ų44.929%0.29423%0.232SC..Hα-helixtrans-59.2-49.2175.7168.8-95.2000111.5G148 I149 M150 L154 S156 A168 I169 I172G148-F152 PolarHBondContact O-N 2.81Å; G148-F152 VanDerWaalsContact O-N 3.12Å; I149-F152 WeakPolarHBondContact O-CB 3.4Å; I149-F152 PolarHBondContact O-N 2.91Å; M150-F152 VanDerWaalsContact C-N 3.34Å; M150-F152 PolarHBondContact O-N 3.22Å; F152-L154 VanDerWaalsContact C-N 3.34Å; F152-L154 PolarHBondContact O-N 3Å; F152-S156 WeakPolarHBondContact O-CB 3.37Å; F152-S156 PolarHBondContact O-N 2.92Å; F152-A168 HydrophobicContact CD2-CB 3.6Å; F152-A168 HydrophobicContact CE2-CB 3.78Å; F152-A168 HydrophobicContact CG-CB 4.43Å; F152-I169 HydrophobicContact CE2-CG1 4.13Å; F152-I172 HydrophobicContact CB-CD1 4.19Å; F152-I172 HydrophobicContact CD2-CB 4.48Å
153L96.4Very high95.6Very high54 Ų5446 Ų4628%0.28324%0.239SC..Hα-helixtrans-64.7-36.2179.3-66.2174.6000112.9Y120 I149 M150 S151 S156 W157Y120-L153 HydrophobicContact CD2-CB 4.44Å; Y120-L153 HydrophobicContact CE1-CD1 4.5Å; Y120-L153 HydrophobicContact CE2-CB 4.35Å; I149-L153 PolarHBondContact O-N 3.01Å; I149-L153 VanDerWaalsContact O-N 3.15Å; M150-L153 HydrophobicContact CE-CD1 4.35Å; M150-L153 PolarHBondContact O-N 2.62Å; M150-L153 HydrophobicContact SD-CD1 4.27Å; S151-L153 PolarHBondContact O-N 2.89Å; L153-S156 CarbonylContact O-C 3.45Å; L153-W157 PolarHBondContact O-N 2.97Å
154L96.2Very high95.5Very high2 Ų246.1 Ų46.11%0.0124%0.24CC..Hα-helixtrans-79.4-33.6-178.6-72.2173.8000113.2F117 Y120 F124 M150 S151 F152 V243F117-L154 HydrophobicContact CD2-CD2 4.4Å; F117-L154 HydrophobicContact CE2-CD2 4.26Å; Y120-L154 HydrophobicContact CD2-CD2 4.38Å; F124-L154 HydrophobicContact CB-CD1 4.27Å; F124-L154 HydrophobicContact CD2-CD1 4.34Å; F124-L154 HydrophobicContact CG-CD1 4.39Å; M150-L154 WeakPolarHBondContact O-CB 3.38Å; M150-L154 VanDerWaalsContact O-CG 3.29Å; M150-L154 WeakPolarHBondContact O-CG 2.95Å; M150-L154 PolarHBondContact O-N 3.18Å; S151-L154 PolarHBondContact O-N 2.91Å; F152-L154 VanDerWaalsContact C-N 3.34Å; F152-L154 PolarHBondContact O-N 3Å; L154-V243 HydrophobicContact CB-CB 4.42Å; L154-V243 HydrophobicContact CB-CG1 3.63Å; L154-V243 HydrophobicContact CB-CG2 3.86Å; L154-V243 HydrophobicContact CD1-CG1 4.46Å; L154-V243 HydrophobicContact CD1-CG2 4.39Å; L154-V243 HydrophobicContact CD2-CG2 3.91Å; L154-V243 HydrophobicContact CG-CG2 4.27Å
155I96.3Very high95.5Very high1 Ų148.5 Ų48.51%0.00525%0.253CS..Hα-helixtrans-68-44.8171.7-65.9163.9000109.3S151 W157 A167 A168 A171 A236 L247S151-I155 WeakPolarHBondContact O-CB 3.41Å; S151-I155 WeakPolarHBondContact O-CD1 3.28Å; S151-I155 WeakPolarHBondContact O-CG1 3.42Å; S151-I155 PolarHBondContact O-N 3.5Å; I155-W157 PolarHBondContact O-N 3.38Å; I155-W157 VanDerWaalsContact O-N 3.1Å; I155-A167 HydrophobicContact CG2-CB 4.11Å; I155-A168 HydrophobicContact CB-CB 4.16Å; I155-A168 HydrophobicContact CG2-CB 3.98Å; I155-A171 HydrophobicContact CD1-CB 3.94Å; I155-A236 HydrophobicContact CD1-CB 3.75Å; I155-A236 HydrophobicContact CG1-CB 4.16Å; I155-L247 HydrophobicContact CG1-CD1 4.25Å
156S96.2Very high95.5Very high20 Ų2051.4 Ų51.414%0.1427%0.272CS..THydrogen-bonded Turntrans-80.928.9178.1-169.30000113.6F152 L153 W158 Y159 N165F152-S156 WeakPolarHBondContact O-CB 3.37Å; F152-S156 PolarHBondContact O-N 2.92Å; L153-S156 CarbonylContact O-C 3.45Å; S156-W158 PolarHBondContact O-N 3.46Å; S156-Y159 PolarHBondContact O-N 3.42Å; S156-N165 PolarHBondContact OG-OD1 3.19Å
157W96.1Very high95.5Very high25 Ų2550.9 Ų50.910%0.09527%0.266CS..THydrogen-bonded Turntrans-60.4-49.6-176.7-179.7-106.8000111.9D111 N113 Q116 F117 Y120 L153 I155 Y159 P240D111-W157 PolarHBondContact OD2-NE1 3.45Å; N113-W157 HydrophobicContact CB-CH2 4.16Å; N113-W157 HydrophobicContact CB-CZ2 4.03Å; N113-W157 WeakPolarHBondContact O-CH2 3.23Å; Q116-W157 HydrophobicContact CB-CH2 4.07Å; Q116-W157 HydrophobicContact CG-CH2 4.15Å; Q116-W157 HydrophobicContact CG-CZ3 4.17Å; F117-W157 HydrophobicContact CB-CH2 3.63Å; F117-W157 HydrophobicContact CB-CZ2 3.8Å; F117-W157 HydrophobicContact CB-CZ3 4.13Å; F117-W157 HydrophobicContact CD2-CD2 4.03Å; F117-W157 HydrophobicContact CD2-CE3 4.14Å; F117-W157 HydrophobicContact CD2-CH2 4.39Å; F117-W157 HydrophobicContact CD2-CZ2 4.27Å; F117-W157 HydrophobicContact CD2-CZ3 4.31Å; Y120-W157 HydrophobicContact CD2-CE3 4.27Å; Y120-W157 AromaticContact CD2-CZ3 3.81Å; Y120-W157 HydrophobicContact CD2-CZ3 3.81Å; Y120-W157 HydrophobicContact CE2-CE3 4.47Å; Y120-W157 AromaticContact CE2-CZ3 3.94Å; Y120-W157 HydrophobicContact CE2-CZ3 3.94Å; L153-W157 PolarHBondContact O-N 2.97Å; I155-W157 PolarHBondContact O-N 3.38Å; I155-W157 VanDerWaalsContact O-N 3.1Å; W157-Y159 VanDerWaalsContact C-N 3.28Å; W157-Y159 PolarHBondContact O-N 2.93Å; W157-Y159 VanDerWaalsContact O-N 3.12Å; W157-P240 HydrophobicContact CB-CG 4.32Å; W157-P240 HydrophobicContact CG-CG 4.5Å
158W94.9Very high95.5Very high76 Ų7650.9 Ų50.929%0.28827%0.266SS..THydrogen-bonded Turntrans-87.869.5172.1-61-50.8000110.4S156 A160 R161 P240S156-W158 PolarHBondContact O-N 3.46Å; W158-A160 PolarHBondContact O-N 2.67Å; W158-R161 HydrophobicContact CB-CG 4.43Å; W158-R161 PolarHBondContact O-N 3.1Å; W158-P240 HydrophobicContact CH2-CB 4.06Å; W158-P240 HydrophobicContact CZ2-CB 4.45Å; W158-P240 HydrophobicContact CZ3-CB 4.46Å
159Y93.8Very high95.5Very high170 Ų17055.5 Ų55.567%0.66729%0.29SS*.THydrogen-bonded Turntrans-56.1-16.7-175.559.7-94.3000115.4S156 W157 R161 N165S156-Y159 PolarHBondContact O-N 3.42Å; W157-Y159 VanDerWaalsContact C-N 3.28Å; W157-Y159 PolarHBondContact O-N 2.93Å; W157-Y159 VanDerWaalsContact O-N 3.12Å; Y159-R161 VanDerWaalsContact C-N 3.29Å; Y159-N165 WeakPolarHBondContact CA-OD1 3.34Å; Y159-N165 PolarHBondContact O-ND2 2.66Å; Y159-N165 PolarHBondContact O-OD1 3.17Å
160A94.6Very high95.5Very high94 Ų9453.5 Ų53.578%0.77728%0.279SS*.THydrogen-bonded Turntrans-72.8-21.217400000112.9W158W158-A160 PolarHBondContact O-N 2.67Å
161R94.4Very high95.4Very high135 Ų13552.1 Ų52.151%0.50927%0.272SS..  trans-83118.5177.3-66.1-173.9-178.7-174.41.6109.9W158 Y159 D163 A164 N165W158-R161 HydrophobicContact CB-CG 4.43Å; W158-R161 PolarHBondContact O-N 3.1Å; Y159-R161 VanDerWaalsContact C-N 3.29Å; R161-D163 VanDerWaalsContact C-N 3.26Å; R161-D163 PolarHBondContact O-N 3.43Å; R161-A164 HydrophobicContact CB-CB 4.06Å; R161-A164 PolarHBondContact O-N 3.11Å; R161-N165 PolarHBondContact O-N 2.97Å
162A96.3Very high95.5Very high69 Ų6954 Ų5457%0.5728%0.282SS*.Hα-helixtrans-57.1-40.9177.900000112.1A164 N165 T166A162-A164 VanDerWaalsContact C-N 3.33Å; A162-A164 PolarHBondContact O-N 3.08Å; A162-N165 PolarHBondContact O-N 3.04Å; A162-T166 WeakPolarHBondContact O-CG2 3.12Å; A162-T166 PolarHBondContact O-N 3.26Å; A162-T166 PolarHBondContact O-OG1 2.82Å
163D94.8Very high95.5Very high108 Ų10855.4 Ų55.458%0.57829%0.292SS*.Hα-helixtrans-64.8-33.9-179.7-60.5-36.2000113.1R161 T166 A167 E238R161-D163 VanDerWaalsContact C-N 3.26Å; R161-D163 PolarHBondContact O-N 3.43Å; D163-T166 WeakPolarHBondContact CA-OG1 3.44Å; D163-T166 PolarHBondContact O-OG1 2.84Å; D163-A167 VanDerWaalsContact O-CB 3.24Å; D163-A167 WeakPolarHBondContact O-CB 3.33Å; D163-A167 PolarHBondContact O-N 3.3Å; D163-E238 HydrophobicContact CB-CG 4.45Å
164A94.9Very high95.5Very high2 Ų253.6 Ų53.62%0.01728%0.281CS..Hα-helixtrans-69.1-40.3175.600000111.2R161 A162 A167 A168 E238R161-A164 HydrophobicContact CB-CB 4.06Å; R161-A164 PolarHBondContact O-N 3.11Å; A162-A164 VanDerWaalsContact C-N 3.33Å; A162-A164 PolarHBondContact O-N 3.08Å; A164-A167 PolarHBondContact O-N 3.03Å; A164-A168 WeakPolarHBondContact O-CB 3.36Å; A164-A168 PolarHBondContact O-N 3.31Å; A164-E238 HydrophobicContact CB-CB 4.4Å
165N96Very high95.4Very high52 Ų5253.6 Ų53.628%0.27828%0.281SS..Hα-helixtrans-68.1-42.8178.1-63.8-12.1000111.4S156 Y159 R161 A162 A168 I169S156-N165 PolarHBondContact OG-OD1 3.19Å; Y159-N165 WeakPolarHBondContact CA-OD1 3.34Å; Y159-N165 PolarHBondContact O-ND2 2.66Å; Y159-N165 PolarHBondContact O-OD1 3.17Å; R161-N165 PolarHBondContact O-N 2.97Å; A162-N165 PolarHBondContact O-N 3.04Å; N165-A168 PolarHBondContact O-N 2.9Å; N165-I169 WeakPolarHBondContact O-CG1 3.4Å; N165-I169 PolarHBondContact O-N 3.38Å
166T96.2Very high95.4Very high84 Ų8458.5 Ų58.552%0.51530%0.3SS..Hα-helixtrans-64.5-42.2176.457.60000110.9A162 D163 A168 I169 Q170A162-T166 WeakPolarHBondContact O-CG2 3.12Å; A162-T166 PolarHBondContact O-N 3.26Å; A162-T166 PolarHBondContact O-OG1 2.82Å; D163-T166 WeakPolarHBondContact CA-OG1 3.44Å; D163-T166 PolarHBondContact O-OG1 2.84Å; T166-A168 PolarHBondContact O-N 3.05Å; T166-I169 PolarHBondContact O-N 3.06Å; T166-Q170 VanDerWaalsContact O-CB 3.25Å; T166-Q170 WeakPolarHBondContact O-CB 3.25Å; T166-Q170 PolarHBondContact O-N 3.16Å
167A95.9Very high95.4Very high2 Ų260.2 Ų60.22%0.01731%0.307CS..Hα-helixtrans-61.5-41.1174.400000112.7I155 D163 A164 Q170 A171 S235I155-A167 HydrophobicContact CG2-CB 4.11Å; D163-A167 VanDerWaalsContact O-CB 3.24Å; D163-A167 WeakPolarHBondContact O-CB 3.33Å; D163-A167 PolarHBondContact O-N 3.3Å; A164-A167 PolarHBondContact O-N 3.03Å; A167-Q170 WeakPolarHBondContact O-CB 3.17Å; A167-Q170 PolarHBondContact O-N 3.26Å; A167-A171 PolarHBondContact O-N 3.04Å; A167-S235 VanDerWaalsContact CB-O 3.32Å; A167-S235 WeakPolarHBondContact CB-O 3.45Å
168A96.1Very high95.4Very high0 Ų059 Ų590%030%0.302CS..Hα-helixtrans-66.2-45.3177.800000112.1F152 I155 A164 N165 T166 Q170 A171 I172F152-A168 HydrophobicContact CD2-CB 3.6Å; F152-A168 HydrophobicContact CE2-CB 3.78Å; F152-A168 HydrophobicContact CG-CB 4.43Å; I155-A168 HydrophobicContact CB-CB 4.16Å; I155-A168 HydrophobicContact CG2-CB 3.98Å; A164-A168 WeakPolarHBondContact O-CB 3.36Å; A164-A168 PolarHBondContact O-N 3.31Å; N165-A168 PolarHBondContact O-N 2.9Å; T166-A168 PolarHBondContact O-N 3.05Å; A168-Q170 VanDerWaalsContact C-N 3.29Å; A168-Q170 PolarHBondContact O-N 3.29Å; A168-A171 PolarHBondContact O-N 3.45Å; A168-I172 PolarHBondContact O-N 3.11Å
169I95.1Very high95.5Very high99 Ų9955.6 Ų55.651%0.50829%0.289SS..Hα-helixtrans-63.6-38.2175-66.7167.7000110.6F152 N165 T166 A171 I172 L173F152-I169 HydrophobicContact CE2-CG1 4.13Å; N165-I169 WeakPolarHBondContact O-CG1 3.4Å; N165-I169 PolarHBondContact O-N 3.38Å; T166-I169 PolarHBondContact O-N 3.06Å; I169-A171 PolarHBondContact O-N 3.08Å; I169-I172 WeakPolarHBondContact O-CG2 3.41Å; I169-I172 PolarHBondContact O-N 3.02Å; I169-L173 WeakPolarHBondContact O-CB 3.38Å; I169-L173 PolarHBondContact O-N 3.34Å
170Q95.1Very high95.7Very high34 Ų3453 Ų5316%0.15929%0.286CS..Hα-helixtrans-59.5-49174.8-171.7-169.5-16.200110.4T166 A167 A168 I172 L173 Y174 P231 W232 S235 H534T166-Q170 VanDerWaalsContact O-CB 3.25Å; T166-Q170 WeakPolarHBondContact O-CB 3.25Å; T166-Q170 PolarHBondContact O-N 3.16Å; A167-Q170 WeakPolarHBondContact O-CB 3.17Å; A167-Q170 PolarHBondContact O-N 3.26Å; A168-Q170 VanDerWaalsContact C-N 3.29Å; A168-Q170 PolarHBondContact O-N 3.29Å; Q170-I172 PolarHBondContact O-N 3.42Å; Q170-L173 PolarHBondContact O-N 3.17Å; Q170-Y174 HydrophobicContact CG-CD2 3.72Å; Q170-Y174 HydrophobicContact CG-CE2 3.51Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.45Å; Q170-Y174 PolarHBondContact O-N 3.21Å; Q170-Y174 VanDerWaalsContact O-N 3.07Å; Q170-P231 PolarHBondContact NE2-O 2.87Å; Q170-W232 HydrophobicContact CG-CB 4.35Å; Q170-S235 VanDerWaalsContact CD-OG 3.28Å; Q170-S235 PolarHBondContact NE2-OG 3.2Å; Q170-S235 PolarHBondContact OE1-OG 2.97Å; Q170-H534 PolarHBondContact NE2-CE1 3.28Å
171A94.7Very high95.7Very high0 Ų048.5 Ų48.50%025%0.249CC..Hα-helixtrans-60-42.117800000113.1I155 A167 A168 I169 L173 N175 W232I155-A171 HydrophobicContact CD1-CB 3.94Å; A167-A171 PolarHBondContact O-N 3.04Å; A168-A171 PolarHBondContact O-N 3.45Å; I169-A171 PolarHBondContact O-N 3.08Å; A171-L173 PolarHBondContact O-N 3.37Å; A171-N175 WeakPolarHBondContact O-CB 3.48Å; A171-N175 PolarHBondContact O-N 3.31Å; A171-N175 VanDerWaalsContact O-N 3.1Å; A171-N175 PolarHBondContact O-ND2 3.43Å; A171-N175 VanDerWaalsContact O-ND2 3.09Å; A171-W232 HydrophobicContact CB-CB 4.3Å; A171-W232 HydrophobicContact CB-CD2 4.48Å; A171-W232 HydrophobicContact CB-CE3 3.92Å
172I95.9Very high95.8Very high40 Ų4042.2 Ų42.221%0.20523%0.225CC..Hα-helixtrans-64.5-41.7177.1-150.278.8000111F152 A168 I169 Q170 N175 R176F152-I172 HydrophobicContact CB-CD1 4.19Å; F152-I172 HydrophobicContact CD2-CB 4.48Å; A168-I172 PolarHBondContact O-N 3.11Å; I169-I172 WeakPolarHBondContact O-CG2 3.41Å; I169-I172 PolarHBondContact O-N 3.02Å; Q170-I172 PolarHBondContact O-N 3.42Å; I172-N175 PolarHBondContact O-N 2.55Å; I172-R176 HydrophobicContact CG1-CG 4.47Å; I172-R176 WeakPolarHBondContact O-CB 3.39Å; I172-R176 WeakPolarHBondContact O-CG 3Å; I172-R176 PolarHBondContact O-N 2.91Å
173L95.8Very high95.8Very high96 Ų9643 Ų4350%0.50322%0.219SC..Hα-helixtrans-63.1-48.2-178.7-166.1163.7000111.5I169 Q170 A171 N175 R176 I177I169-L173 WeakPolarHBondContact O-CB 3.38Å; I169-L173 PolarHBondContact O-N 3.34Å; Q170-L173 PolarHBondContact O-N 3.17Å; A171-L173 PolarHBondContact O-N 3.37Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 3Å; L173-R176 WeakPolarHBondContact O-CB 3.19Å; L173-R176 PolarHBondContact O-N 2.88Å; L173-I177 HydrophobicContact CD2-CD1 3.66Å; L173-I177 HydrophobicContact CD2-CG1 4.25Å; L173-I177 WeakPolarHBondContact O-CG1 2.98Å; L173-I177 PolarHBondContact O-N 3.16Å; L173-I177 VanDerWaalsContact O-N 3.08Å
174Y95.8Very high95.8Very high17 Ų1742.3 Ų42.37%0.06722%0.215CC..Hα-helixtrans-63.3-38.7177.7-80-73.1000112.7Q170 R176 I177 G178 L229 W232 H534Q170-Y174 HydrophobicContact CG-CD2 3.72Å; Q170-Y174 HydrophobicContact CG-CE2 3.51Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.45Å; Q170-Y174 PolarHBondContact O-N 3.21Å; Q170-Y174 VanDerWaalsContact O-N 3.07Å; Y174-R176 VanDerWaalsContact C-N 3.35Å; Y174-I177 PolarHBondContact O-N 3.15Å; Y174-G178 PolarHBondContact O-N 2.73Å; Y174-L229 HydrophobicContact CD1-CB 3.8Å; Y174-L229 HydrophobicContact CD1-CD2 3.52Å; Y174-L229 HydrophobicContact CD1-CG 4.22Å; Y174-L229 HydrophobicContact CE1-CB 4.36Å; Y174-L229 HydrophobicContact CE1-CD2 3.84Å; Y174-W232 HydrophobicContact CD2-CB 3.7Å; Y174-W232 HydrophobicContact CD2-CG 4.32Å; Y174-W232 HydrophobicContact CE2-CB 4.42Å; Y174-W232 HydrophobicContact CG-CB 4.24Å; Y174-W232 AromaticContact CG-CD1 3.85Å; Y174-W232 HydrophobicContact CG-CG 4.39Å; Y174-H534 AromaticContact CE2-NE2 3.78Å; Y174-H534 AromaticContact CZ-NE2 3.73Å; Y174-H534 PolarHBondContact OH-CD2 3.13Å; Y174-H534 PolarHBondContact OH-NE2 3.43Å
175N94.9Very high95.8Very high1 Ų142.3 Ų42.31%0.00522%0.215CC..Hα-helixtrans-63.3-42.6174.2-70.6-24.5000111.5A171 I172 L173 I177 G178 D179 K223 M252A171-N175 WeakPolarHBondContact O-CB 3.48Å; A171-N175 PolarHBondContact O-N 3.31Å; A171-N175 VanDerWaalsContact O-N 3.1Å; A171-N175 PolarHBondContact O-ND2 3.43Å; A171-N175 VanDerWaalsContact O-ND2 3.09Å; I172-N175 PolarHBondContact O-N 2.55Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 3Å; N175-I177 VanDerWaalsContact C-N 3.29Å; N175-I177 PolarHBondContact O-N 2.96Å; N175-G178 CarbonylContact O-C 3.2Å; N175-G178 VanDerWaalsContact O-CA 3.3Å; N175-G178 WeakPolarHBondContact O-CA 3Å; N175-G178 PolarHBondContact O-N 3.04Å; N175-D179 PolarHBondContact O-N 2.88Å; N175-D179 VanDerWaalsContact O-OD1 3.06Å; N175-K223 HydrophobicContact CB-CD 4.39Å; N175-K223 WeakPolarHBondContact OD1-CD 3.08Å; N175-M252 WeakPolarHBondContact ND2-CE 3.49Å
176R96.5Very high95.7Very high105 Ų10540.7 Ų40.740%0.39621%0.206SC..Hα-helixtrans-60.5-36.3177.7-69.3-81.2169.2-132.80.2112.9E145 I172 L173 Y174 G178 D179 I180E145-R176 IonicContact OE1-CZ 3.71Å; E145-R176 IonicContact OE1-NH1 2.66Å; E145-R176 PolarHBondContact OE1-NH1 3.35Å; E145-R176 IonicContact OE2-CZ 3.11Å; E145-R176 IonicContact OE2-NH1 2.79Å; E145-R176 PolarHBondContact OE2-NH1 3.06Å; E145-R176 IonicContact OE2-NH2 2.68Å; E145-R176 PolarHBondContact OE2-NH2 2.92Å; I172-R176 HydrophobicContact CG1-CG 4.47Å; I172-R176 WeakPolarHBondContact O-CB 3.39Å; I172-R176 WeakPolarHBondContact O-CG 3Å; I172-R176 PolarHBondContact O-N 2.91Å; L173-R176 WeakPolarHBondContact O-CB 3.19Å; L173-R176 PolarHBondContact O-N 2.88Å; Y174-R176 VanDerWaalsContact C-N 3.35Å; R176-G178 VanDerWaalsContact C-N 3.29Å; R176-G178 PolarHBondContact O-N 3.33Å; R176-D179 VanDerWaalsContact CA-OD2 3.28Å; R176-D179 WeakPolarHBondContact CA-OD2 3.31Å; R176-D179 WeakPolarHBondContact CD-OD2 3.37Å; R176-D179 IonicContact CZ-OD2 3.57Å; R176-D179 IonicContact NE-OD2 3.84Å; R176-D179 IonicContact NH1-OD2 2.8Å; R176-D179 PolarHBondContact NH1-OD2 3.26Å; R176-D179 WeakPolarHBondContact O-CB 3.48Å; R176-D179 PolarHBondContact O-N 2.89Å; R176-I180 WeakPolarHBondContact O-CG1 3.34Å; R176-I180 PolarHBondContact O-N 3.45Å
177I96.7Very high95.6Very high56 Ų5638.7 Ų38.729%0.28720%0.198SC..Hα-helixtrans-61.4-40.9171.6-65.2167.6000110.6L173 Y174 N175 I180 L229L173-I177 HydrophobicContact CD2-CD1 3.66Å; L173-I177 HydrophobicContact CD2-CG1 4.25Å; L173-I177 WeakPolarHBondContact O-CG1 2.98Å; L173-I177 PolarHBondContact O-N 3.16Å; L173-I177 VanDerWaalsContact O-N 3.08Å; Y174-I177 PolarHBondContact O-N 3.15Å; N175-I177 VanDerWaalsContact C-N 3.29Å; N175-I177 PolarHBondContact O-N 2.96Å; I177-I180 WeakPolarHBondContact O-CB 3.39Å; I177-I180 PolarHBondContact O-N 3.35Å; I177-L229 HydrophobicContact CB-CD2 4.42Å; I177-L229 HydrophobicContact CD1-CD2 4.05Å; I177-L229 HydrophobicContact CG2-CD1 4.03Å; I177-L229 HydrophobicContact CG2-CD2 3.99Å
178G95.8Very high95.4Very high0 Ų040.6 Ų40.60%021%0.205CC..Hα-helixtrans-65.1-38.7172.800000113Y174 N175 R176 I180 G181 F182 A219Y174-G178 PolarHBondContact O-N 2.73Å; N175-G178 CarbonylContact O-C 3.2Å; N175-G178 VanDerWaalsContact O-CA 3.3Å; N175-G178 WeakPolarHBondContact O-CA 3Å; N175-G178 PolarHBondContact O-N 3.04Å; R176-G178 VanDerWaalsContact C-N 3.29Å; R176-G178 PolarHBondContact O-N 3.33Å; G178-I180 PolarHBondContact O-N 3.18Å; G178-G181 WeakPolarHBondContact O-CA 3.4Å; G178-G181 PolarHBondContact O-N 2.97Å; G178-F182 PolarHBondContact O-N 3.41Å; G178-F182 VanDerWaalsContact O-N 3.11Å; G178-A219 VanDerWaalsContact O-CA 3.31Å; G178-A219 WeakPolarHBondContact O-CA 3.16Å; G178-A219 WeakPolarHBondContact O-CB 3.47Å
179D96.3Very high95.1Very high4 Ų440.7 Ų40.72%0.02121%0.205CC..Hα-helixtrans-61.5-32.1179.6-54.1-23.3000111.7W144 E145 N175 R176 G181 F182 I183W144-D179 VanDerWaalsContact CD1-OD1 3.29Å; W144-D179 PolarHBondContact NE1-OD1 2.95Å; E145-D179 VanDerWaalsContact OE1-CG 3.23Å; N175-D179 PolarHBondContact O-N 2.88Å; N175-D179 VanDerWaalsContact O-OD1 3.06Å; R176-D179 VanDerWaalsContact CA-OD2 3.28Å; R176-D179 WeakPolarHBondContact CA-OD2 3.31Å; R176-D179 WeakPolarHBondContact CD-OD2 3.37Å; R176-D179 IonicContact CZ-OD2 3.57Å; R176-D179 IonicContact NE-OD2 3.84Å; R176-D179 IonicContact NH1-OD2 2.8Å; R176-D179 PolarHBondContact NH1-OD2 3.26Å; R176-D179 WeakPolarHBondContact O-CB 3.48Å; R176-D179 PolarHBondContact O-N 2.89Å; D179-G181 VanDerWaalsContact C-N 3.27Å; D179-G181 PolarHBondContact O-N 3.08Å; D179-F182 PolarHBondContact O-N 3.47Å; D179-I183 WeakPolarHBondContact O-CB 3.23Å; D179-I183 VanDerWaalsContact O-CG1 3.28Å; D179-I183 WeakPolarHBondContact O-CG1 3.38Å; D179-I183 PolarHBondContact O-N 2.88Å
180I97.3Very high94.9Very high114 Ų11438.8 Ų38.859%0.58520%0.195SC*.Hα-helixtrans-55.9-44.9172-61.6169.1000110.4R176 I177 G178 L184R176-I180 WeakPolarHBondContact O-CG1 3.34Å; R176-I180 PolarHBondContact O-N 3.45Å; I177-I180 WeakPolarHBondContact O-CB 3.39Å; I177-I180 PolarHBondContact O-N 3.35Å; G178-I180 PolarHBondContact O-N 3.18Å; I180-L184 WeakPolarHBondContact O-CB 3.32Å; I180-L184 PolarHBondContact O-N 2.95Å
181G96.1Very high94.7Very high1 Ų143.9 Ų43.91%0.0122%0.223CC..Hα-helixtrans-67.3-38.9177.500000112.9G178 D179 L184 A185 G215G178-G181 WeakPolarHBondContact O-CA 3.4Å; G178-G181 PolarHBondContact O-N 2.97Å; D179-G181 VanDerWaalsContact C-N 3.27Å; D179-G181 PolarHBondContact O-N 3.08Å; G181-L184 WeakPolarHBondContact O-CB 3.38Å; G181-L184 PolarHBondContact O-N 3.42Å; G181-A185 PolarHBondContact O-N 3.33Å; G181-G215 CarbonylContact C-O 3.59Å; G181-G215 VanDerWaalsContact CA-O 3.28Å; G181-G215 WeakPolarHBondContact CA-O 3.44Å; G181-G215 CarbonylContact O-C 3.3Å; G181-G215 VanDerWaalsContact O-C 3.3Å; G181-G215 VanDerWaalsContact O-CA 3.26Å; G181-G215 WeakPolarHBondContact O-CA 3.33Å
182F95.9Very high94.4Very high2 Ų249.6 Ų49.61%0.00925%0.25CC..Hα-helixtrans-64.9-46.6177-164.9-73.2000111.6L137 L140 F141 W144 G178 D179 L184 A185 L186 A219 L259L137-F182 HydrophobicContact CD2-CE1 4.47Å; L137-F182 HydrophobicContact CD2-CZ 3.98Å; L140-F182 HydrophobicContact CB-CZ 4.45Å; L140-F182 HydrophobicContact CD2-CE2 3.43Å; L140-F182 VanDerWaalsContact CD2-CE2 3.43Å; L140-F182 HydrophobicContact CD2-CZ 3.55Å; F141-F182 HydrophobicContact CB-CD1 4.34Å; F141-F182 HydrophobicContact CB-CE1 3.68Å; F141-F182 HydrophobicContact CB-CZ 4.17Å; F141-F182 AromaticContact CD2-CD1 3.43Å; F141-F182 HydrophobicContact CD2-CD1 3.43Å; F141-F182 VanDerWaalsContact CD2-CD1 3.43Å; F141-F182 AromaticContact CD2-CE1 3.66Å; F141-F182 HydrophobicContact CD2-CE1 3.66Å; F141-F182 HydrophobicContact CD2-CG 4.07Å; F141-F182 HydrophobicContact CD2-CZ 4.42Å; F141-F182 HydrophobicContact CE2-CD1 4.14Å; F141-F182 HydrophobicContact CG-CD1 4.24Å; F141-F182 HydrophobicContact CG-CE1 4.07Å; W144-F182 HydrophobicContact CD2-CD2 4.3Å; W144-F182 HydrophobicContact CD2-CE2 4.48Å; W144-F182 HydrophobicContact CE3-CE2 4.49Å; W144-F182 HydrophobicContact CZ2-CD2 4.46Å; G178-F182 PolarHBondContact O-N 3.41Å; G178-F182 VanDerWaalsContact O-N 3.11Å; D179-F182 PolarHBondContact O-N 3.47Å; F182-L184 VanDerWaalsContact C-N 3.31Å; F182-L184 PolarHBondContact O-N 3.23Å; F182-A185 PolarHBondContact O-N 3.06Å; F182-L186 HydrophobicContact CD1-CD1 3.66Å; F182-L186 HydrophobicContact CD1-CG 3.93Å; F182-L186 HydrophobicContact CE1-CD1 3.6Å; F182-L186 HydrophobicContact CE1-CD2 4.36Å; F182-L186 HydrophobicContact CE1-CG 3.74Å; F182-L186 PolarHBondContact O-N 3.12Å; F182-A219 HydrophobicContact CB-CB 3.93Å; F182-A219 HydrophobicContact CD2-CB 4.25Å; F182-L259 HydrophobicContact CD2-CD1 3.47Å; F182-L259 VanDerWaalsContact CD2-CD1 3.47Å; F182-L259 HydrophobicContact CE2-CD1 3.34Å
183I96.5Very high94Very high86 Ų8648.1 Ų48.144%0.44124%0.242SC..Hα-helixtrans-65.7-37178.6-66.6166.2000110.5F141 D179 A185 L186 A187F141-I183 HydrophobicContact CE2-CD1 4.45Å; F141-I183 HydrophobicContact CE2-CG1 4.1Å; F141-I183 HydrophobicContact CZ-CD1 4.14Å; F141-I183 HydrophobicContact CZ-CG1 4.15Å; D179-I183 WeakPolarHBondContact O-CB 3.23Å; D179-I183 VanDerWaalsContact O-CG1 3.28Å; D179-I183 WeakPolarHBondContact O-CG1 3.38Å; D179-I183 PolarHBondContact O-N 2.88Å; I183-A185 VanDerWaalsContact C-N 3.33Å; I183-A185 PolarHBondContact O-N 2.96Å; I183-L186 WeakPolarHBondContact O-CB 3.35Å; I183-L186 PolarHBondContact O-N 3.05Å; I183-A187 WeakPolarHBondContact O-CB 3.43Å; I183-A187 PolarHBondContact O-N 3.19Å
184L95.4Very high93.7Very high94 Ų9447.1 Ų47.149%0.49224%0.238SC..Hα-helixtrans-58.9-45.1172.6-177.272.3000111.4I180 G181 F182 A187 W188I180-L184 WeakPolarHBondContact O-CB 3.32Å; I180-L184 PolarHBondContact O-N 2.95Å; G181-L184 WeakPolarHBondContact O-CB 3.38Å; G181-L184 PolarHBondContact O-N 3.42Å; F182-L184 VanDerWaalsContact C-N 3.31Å; F182-L184 PolarHBondContact O-N 3.23Å; L184-A187 PolarHBondContact O-N 2.9Å; L184-W188 WeakPolarHBondContact O-CB 3.35Å; L184-W188 PolarHBondContact O-N 2.87Å
185A93.6Very high93.4Very high2 Ų246.7 Ų46.72%0.01724%0.237CC..Hα-helixtrans-64.1-45.8176.700000111.6G181 F182 I183 A187 W188 F189 P212 L216G181-A185 PolarHBondContact O-N 3.33Å; F182-A185 PolarHBondContact O-N 3.06Å; I183-A185 VanDerWaalsContact C-N 3.33Å; I183-A185 PolarHBondContact O-N 2.96Å; A185-A187 PolarHBondContact O-N 3.41Å; A185-W188 PolarHBondContact O-N 3.01Å; A185-F189 HydrophobicContact CB-CD2 4.39Å; A185-F189 HydrophobicContact CB-CE2 4.03Å; A185-F189 WeakPolarHBondContact O-CD2 3.35Å; A185-F189 WeakPolarHBondContact O-CG 3.38Å; A185-F189 PolarHBondContact O-N 3.27Å; A185-P212 HydrophobicContact CB-CB 4.3Å; A185-L216 HydrophobicContact CB-CD2 3.9Å; A185-L216 HydrophobicContact CB-CG 3.91Å
186L93.5Very high93.1Very high18 Ų1848.7 Ų48.79%0.09425%0.245CC..Hα-helixtrans-53.5-52.4173.5-85.8172.1000111.9L137 F141 F182 I183 W188 F189 I190L137-L186 HydrophobicContact CB-CD2 3.52Å; L137-L186 HydrophobicContact CD1-CD2 4.14Å; L137-L186 HydrophobicContact CG-CD2 4.41Å; F141-L186 HydrophobicContact CB-CD1 4.41Å; F141-L186 HydrophobicContact CD2-CD1 4.48Å; F141-L186 HydrophobicContact CG-CD1 4.34Å; F182-L186 HydrophobicContact CD1-CD1 3.66Å; F182-L186 HydrophobicContact CD1-CG 3.93Å; F182-L186 HydrophobicContact CE1-CD1 3.6Å; F182-L186 HydrophobicContact CE1-CD2 4.36Å; F182-L186 HydrophobicContact CE1-CG 3.74Å; F182-L186 PolarHBondContact O-N 3.12Å; I183-L186 WeakPolarHBondContact O-CB 3.35Å; I183-L186 PolarHBondContact O-N 3.05Å; L186-W188 VanDerWaalsContact C-N 3.32Å; L186-W188 PolarHBondContact O-N 3.3Å; L186-F189 PolarHBondContact O-N 2.96Å; L186-I190 WeakPolarHBondContact O-CD1 3.48Å; L186-I190 WeakPolarHBondContact O-CG1 2.93Å; L186-I190 PolarHBondContact O-N 3.48Å; L186-I190 VanDerWaalsContact O-N 3.09Å
187A93.9Very high92.7Very high41 Ų4146 Ų4634%0.33924%0.238SC..Hα-helixtrans-59.7-44.4-179.900000111.3I183 L184 A185 I190 L191I183-A187 WeakPolarHBondContact O-CB 3.43Å; I183-A187 PolarHBondContact O-N 3.19Å; L184-A187 PolarHBondContact O-N 2.9Å; A185-A187 PolarHBondContact O-N 3.41Å; A187-I190 PolarHBondContact O-N 3.43Å; A187-L191 VanDerWaalsContact O-CG 3.29Å; A187-L191 WeakPolarHBondContact O-CG 3.48Å; A187-L191 PolarHBondContact O-N 3.37Å; A187-L191 VanDerWaalsContact O-N 3.15Å
188W92.6Very high92.2Very high42 Ų4244.4 Ų44.416%0.15923%0.231CC..Hα-helixtrans-63.2-45.7179-168.288000112.1L184 A185 L186 I190 L191 H192 S209 T211 P212L184-W188 WeakPolarHBondContact O-CB 3.35Å; L184-W188 PolarHBondContact O-N 2.87Å; A185-W188 PolarHBondContact O-N 3.01Å; L186-W188 VanDerWaalsContact C-N 3.32Å; L186-W188 PolarHBondContact O-N 3.3Å; W188-I190 VanDerWaalsContact C-N 3.34Å; W188-I190 PolarHBondContact O-N 3.26Å; W188-L191 PolarHBondContact O-N 3.17Å; W188-H192 AromaticContact CD1-CD2 3.63Å; W188-H192 AromaticContact CD1-NE2 3.85Å; W188-H192 AromaticContact CD2-CD2 3.65Å; W188-H192 AromaticContact CE2-CD2 3.14Å; W188-H192 AromaticContact CE2-CG 3.88Å; W188-H192 AromaticContact CE2-NE2 3.7Å; W188-H192 AromaticContact CG-CD2 3.91Å; W188-H192 HydrophobicContact CH2-CB 4.02Å; W188-H192 HydrophobicContact CZ2-CB 4.03Å; W188-H192 AromaticContact CZ2-CD2 3.45Å; W188-H192 VanDerWaalsContact CZ2-CD2 3.45Å; W188-H192 WeakPolarHBondContact CZ2-CD2 3.48Å; W188-H192 AromaticContact CZ2-CG 3.71Å; W188-H192 HydrophobicContact CZ3-CB 4.31Å; W188-H192 AromaticContact NE1-CD2 3.17Å; W188-H192 PolarHBondContact NE1-CD2 3.43Å; W188-H192 AromaticContact NE1-NE2 3.28Å; W188-H192 PolarHBondContact NE1-NE2 3.3Å; W188-H192 PolarHBondContact O-CD2 2.7Å; W188-H192 PolarHBondContact O-N 3.48Å; W188-H192 VanDerWaalsContact O-N 3.11Å; W188-S209 WeakPolarHBondContact CH2-OG 3.29Å; W188-S209 VanDerWaalsContact CZ2-CB 3.48Å; W188-S209 WeakPolarHBondContact CZ2-OG 3.47Å; W188-T211 PolarHBondContact NE1-OG1 3.17Å; W188-P212 HydrophobicContact CB-CB 4.38Å; W188-P212 HydrophobicContact CD2-CB 4.09Å; W188-P212 HydrophobicContact CD2-CG 3.77Å; W188-P212 HydrophobicContact CE3-CB 3.77Å; W188-P212 HydrophobicContact CE3-CG 3.47Å; W188-P212 VanDerWaalsContact CE3-CG 3.47Å; W188-P212 HydrophobicContact CG-CB 4.33Å; W188-P212 HydrophobicContact CG-CG 4.38Å; W188-P212 HydrophobicContact CH2-CG 4.47Å; W188-P212 HydrophobicContact CZ3-CG 3.83Å
189F90.7Very high91.6Very high2 Ų246.8 Ų46.81%0.00924%0.243CC..Hα-helixtrans-65.1-36.3179.6-68.1-53.3000112.8L137 A185 L186 S193 N194 M201 P212 L216 F263 L266L137-F189 HydrophobicContact CD1-CD2 3.45Å; L137-F189 VanDerWaalsContact CD1-CD2 3.45Å; L137-F189 HydrophobicContact CD1-CE2 3.93Å; L137-F189 HydrophobicContact CD1-CG 4.35Å; A185-F189 HydrophobicContact CB-CD2 4.39Å; A185-F189 HydrophobicContact CB-CE2 4.03Å; A185-F189 WeakPolarHBondContact O-CD2 3.35Å; A185-F189 WeakPolarHBondContact O-CG 3.38Å; A185-F189 PolarHBondContact O-N 3.27Å; L186-F189 PolarHBondContact O-N 2.96Å; F189-S193 CarbonylContact O-C 3.6Å; F189-S193 WeakPolarHBondContact O-CA 3.5Å; F189-S193 WeakPolarHBondContact O-CB 3.45Å; F189-S193 PolarHBondContact O-N 2.93Å; F189-S193 PolarHBondContact O-OG 3.07Å; F189-N194 PolarHBondContact O-N 3.16Å; F189-M201 HydrophobicContact CB-CE 3.81Å; F189-M201 HydrophobicContact CB-SD 4.09Å; F189-M201 HydrophobicContact CD1-CE 4.46Å; F189-M201 HydrophobicContact CD1-CG 4.01Å; F189-M201 HydrophobicContact CD1-SD 3.62Å; F189-M201 HydrophobicContact CD2-CE 4.13Å; F189-M201 HydrophobicContact CD2-SD 3.77Å; F189-M201 HydrophobicContact CE1-CG 4.45Å; F189-M201 HydrophobicContact CE1-SD 3.91Å; F189-M201 HydrophobicContact CE2-SD 4.04Å; F189-M201 HydrophobicContact CG-CE 3.91Å; F189-M201 HydrophobicContact CG-CG 4.36Å; F189-M201 HydrophobicContact CG-SD 3.56Å; F189-M201 VanDerWaalsContact CG-SD 3.56Å; F189-M201 HydrophobicContact CZ-SD 4.11Å; F189-P212 HydrophobicContact CE1-CB 3.94Å; F189-P212 HydrophobicContact CE1-CG 4.22Å; F189-P212 HydrophobicContact CE2-CB 4.1Å; F189-P212 HydrophobicContact CZ-CB 3.65Å; F189-P212 HydrophobicContact CZ-CG 4.3Å; F189-L216 HydrophobicContact CE2-CD1 4.43Å; F189-L216 HydrophobicContact CZ-CD1 4.41Å; F189-F263 HydrophobicContact CE2-CE1 4.48Å; F189-L266 HydrophobicContact CE1-CD1 4.03Å; F189-L266 HydrophobicContact CZ-CD1 3.91Å
190I90.7Very high91.1Very high60 Ų6050.9 Ų50.931%0.30826%0.262SS..Hα-helixtrans-62.1-50.4175-64.1152.8000110.4L186 A187 W188 H192 N194 W196L186-I190 WeakPolarHBondContact O-CD1 3.48Å; L186-I190 WeakPolarHBondContact O-CG1 2.93Å; L186-I190 PolarHBondContact O-N 3.48Å; L186-I190 VanDerWaalsContact O-N 3.09Å; A187-I190 PolarHBondContact O-N 3.43Å; W188-I190 VanDerWaalsContact C-N 3.34Å; W188-I190 PolarHBondContact O-N 3.26Å; I190-H192 VanDerWaalsContact C-N 3.31Å; I190-H192 PolarHBondContact O-N 3.3Å; I190-N194 VanDerWaalsContact O-CA 3.28Å; I190-N194 WeakPolarHBondContact O-CA 3.49Å; I190-N194 PolarHBondContact O-N 2.84Å; I190-N194 VanDerWaalsContact O-N 3.14Å; I190-W196 HydrophobicContact CD1-CZ2 3.57Å; I190-W196 HydrophobicContact CG1-CZ2 3.99Å
191L90.8Very high90.5Very high141 Ų14145.4 Ų45.474%0.73823%0.234SC*.Hα-helixtrans-65.2-34.8-173.9-69.9169.5000112.6A187 W188A187-L191 VanDerWaalsContact O-CG 3.29Å; A187-L191 WeakPolarHBondContact O-CG 3.48Å; A187-L191 PolarHBondContact O-N 3.37Å; A187-L191 VanDerWaalsContact O-N 3.15Å; W188-L191 PolarHBondContact O-N 3.17Å
192H88.7Confident89.9Confident120 Ų12047.2 Ų47.256%0.55625%0.248SC*.Hα-helixtrans-103.7-37.9-173.6-69.7-71.1000114.9W188 I190W188-H192 AromaticContact CD1-CD2 3.63Å; W188-H192 AromaticContact CD1-NE2 3.85Å; W188-H192 AromaticContact CD2-CD2 3.65Å; W188-H192 AromaticContact CE2-CD2 3.14Å; W188-H192 AromaticContact CE2-CG 3.88Å; W188-H192 AromaticContact CE2-NE2 3.7Å; W188-H192 AromaticContact CG-CD2 3.91Å; W188-H192 HydrophobicContact CH2-CB 4.02Å; W188-H192 HydrophobicContact CZ2-CB 4.03Å; W188-H192 AromaticContact CZ2-CD2 3.45Å; W188-H192 VanDerWaalsContact CZ2-CD2 3.45Å; W188-H192 WeakPolarHBondContact CZ2-CD2 3.48Å; W188-H192 AromaticContact CZ2-CG 3.71Å; W188-H192 HydrophobicContact CZ3-CB 4.31Å; W188-H192 AromaticContact NE1-CD2 3.17Å; W188-H192 PolarHBondContact NE1-CD2 3.43Å; W188-H192 AromaticContact NE1-NE2 3.28Å; W188-H192 PolarHBondContact NE1-NE2 3.3Å; W188-H192 PolarHBondContact O-CD2 2.7Å; W188-H192 PolarHBondContact O-N 3.48Å; W188-H192 VanDerWaalsContact O-N 3.11Å; I190-H192 VanDerWaalsContact C-N 3.31Å; I190-H192 PolarHBondContact O-N 3.3Å
193S86.3Confident89.3Confident8 Ų854.3 Ų54.36%0.05629%0.285CS..Hα-helixtrans-107.6-4.4-176.266.60000113.9F189 S195F189-S193 CarbonylContact O-C 3.6Å; F189-S193 WeakPolarHBondContact O-CA 3.5Å; F189-S193 WeakPolarHBondContact O-CB 3.45Å; F189-S193 PolarHBondContact O-N 2.93Å; F189-S193 PolarHBondContact O-OG 3.07Å; S193-S195 PolarHBondContact O-N 2.78Å; S193-S195 PolarHBondContact O-OG 3.08Å
194N90.1Very high88.5Confident76 Ų7655 Ų5541%0.40629%0.29SS..SBendtrans46.632.4-179.8-162.530.3000113.9T73 T74 F189 I190T73-N194 WeakPolarHBondContact CB-ND2 3.5Å; T73-N194 PolarHBondContact OG1-ND2 3.14Å; T73-N194 PolarHBondContact OG1-OD1 3.42Å; T74-N194 WeakPolarHBondContact CG2-O 3.17Å; T74-N194 WeakPolarHBondContact CG2-OD1 3.36Å; F189-N194 PolarHBondContact O-N 3.16Å; I190-N194 VanDerWaalsContact O-CA 3.28Å; I190-N194 WeakPolarHBondContact O-CA 3.49Å; I190-N194 PolarHBondContact O-N 2.84Å; I190-N194 VanDerWaalsContact O-N 3.14Å
195S88.6Confident87.3Confident8 Ų852 Ų526%0.05627%0.274CS..  trans-153154.6-175.655.40000110.8S193 M201S193-S195 PolarHBondContact O-N 2.78Å; S193-S195 PolarHBondContact O-OG 3.08Å; S195-M201 WeakPolarHBondContact O-CE 3.48Å
196W88.5Confident85.9Confident43 Ų4355.3 Ų55.316%0.16330%0.301CS..  trans-1095.6175.1-76.1-17.3000113.5L76 L137 Y138 I190 M201L76-W196 HydrophobicContact CD1-CH2 4.22Å; L76-W196 HydrophobicContact CD1-CZ3 3.64Å; L76-W196 HydrophobicContact CD2-CD2 4.2Å; L76-W196 HydrophobicContact CD2-CE3 3.14Å; L76-W196 HydrophobicContact CD2-CH2 4.07Å; L76-W196 HydrophobicContact CD2-CZ3 3.09Å; L76-W196 HydrophobicContact CG-CE3 4.43Å; L76-W196 HydrophobicContact CG-CZ3 3.99Å; L137-W196 HydrophobicContact CB-CB 4.3Å; L137-W196 PolarHBondContact N-O 3.5Å; Y138-W196 VanDerWaalsContact CB-CZ3 3.46Å; Y138-W196 HydrophobicContact CD1-CZ3 4.47Å; Y138-W196 HydrophobicContact CD2-CH2 4.15Å; Y138-W196 AromaticContact CD2-CZ3 3.87Å; Y138-W196 HydrophobicContact CD2-CZ3 3.87Å; Y138-W196 HydrophobicContact CG-CE3 4.12Å; Y138-W196 HydrophobicContact CG-CH2 4.43Å; Y138-W196 AromaticContact CG-CZ3 3.68Å; Y138-W196 HydrophobicContact CG-CZ3 3.68Å; I190-W196 HydrophobicContact CD1-CZ2 3.57Å; I190-W196 HydrophobicContact CG1-CZ2 3.99Å; W196-M201 WeakPolarHBondContact O-CE 3.29Å
197D89.7Confident84.9Confident47 Ų4761.4 Ų61.425%0.25133%0.334SS..  trans-96.4120.9-174.3-67.911.8000109.1N136 Q199 Q200 M201N136-D197 PolarHBondContact OD1-OD1 3.37Å; D197-Q199 PolarHBondContact O-N 2.89Å; D197-Q200 HydrophobicContact CB-CB 4.38Å; D197-Q200 PolarHBondContact O-N 3.3Å; D197-Q200 VanDerWaalsContact O-N 3.12Å; D197-M201 WeakPolarHBondContact O-CG 3.43Å; D197-M201 PolarHBondContact O-N 3.23Å; D197-M201 VanDerWaalsContact O-N 3.12Å
198P84.8Confident83.9Confident23 Ų2360.4 Ų60.415%0.14932%0.324CS..Hα-helixtrans-61.8-28.5-176.125.4-33.8000112.1N135 M201 A202 F263N135-P198 WeakPolarHBondContact O-CD 3.18Å; P198-M201 PolarHBondContact O-N 3.29Å; P198-A202 WeakPolarHBondContact O-CB 3.48Å; P198-A202 PolarHBondContact O-N 3.01Å; P198-F263 HydrophobicContact CB-CD1 4.45Å; P198-F263 HydrophobicContact CB-CE1 3.75Å; P198-F263 HydrophobicContact CB-CZ 4.14Å
199Q84.6Confident83.4Confident51 Ų5160.1 Ų60.124%0.23833%0.328CS..Hα-helixtrans-63.6-47.1175.3-60.890.6-16.100111.6N135 D197 M201 A202 L203N135-Q199 PolarHBondContact OD1-NE2 3.26Å; N135-Q199 PolarHBondContact OD1-OE1 3.06Å; N135-Q199 VanDerWaalsContact OD1-OE1 3.09Å; D197-Q199 PolarHBondContact O-N 2.89Å; Q199-M201 VanDerWaalsContact C-N 3.32Å; Q199-M201 PolarHBondContact O-N 2.95Å; Q199-A202 PolarHBondContact O-N 2.73Å; Q199-L203 VanDerWaalsContact O-CG 3.3Å; Q199-L203 WeakPolarHBondContact O-CG 3.08Å; Q199-L203 PolarHBondContact O-N 3.11Å
200Q85.3Confident83.5Confident89 Ų8963.2 Ų63.242%0.41635%0.345SS..Hα-helixtrans-66.4-39-179.5-174.2174-5.300110.7D197 L203 L204D197-Q200 HydrophobicContact CB-CB 4.38Å; D197-Q200 PolarHBondContact O-N 3.3Å; D197-Q200 VanDerWaalsContact O-N 3.12Å; Q200-L203 PolarHBondContact O-N 3.45Å; Q200-L204 HydrophobicContact CG-CD1 3.77Å; Q200-L204 HydrophobicContact CG-CG 4.39Å; Q200-L204 WeakPolarHBondContact O-CB 3.37Å; Q200-L204 VanDerWaalsContact O-CG 3.3Å; Q200-L204 WeakPolarHBondContact O-CG 3.33Å; Q200-L204 PolarHBondContact O-N 2.77Å
201M84.6Confident83.6Confident0 Ų063.5 Ų63.50%035%0.349CS..Hα-helixtrans-61.6-45.1175-63.4167.8-160.900112.3L137 F189 S195 W196 D197 P198 Q199 L203 L204 N205 F263 L266L137-M201 HydrophobicContact CD1-CE 3.47Å; L137-M201 VanDerWaalsContact CD1-CE 3.47Å; L137-M201 HydrophobicContact CD1-SD 4.03Å; L137-M201 HydrophobicContact CG-CE 4.22Å; F189-M201 HydrophobicContact CB-CE 3.81Å; F189-M201 HydrophobicContact CB-SD 4.09Å; F189-M201 HydrophobicContact CD1-CE 4.46Å; F189-M201 HydrophobicContact CD1-CG 4.01Å; F189-M201 HydrophobicContact CD1-SD 3.62Å; F189-M201 HydrophobicContact CD2-CE 4.13Å; F189-M201 HydrophobicContact CD2-SD 3.77Å; F189-M201 HydrophobicContact CE1-CG 4.45Å; F189-M201 HydrophobicContact CE1-SD 3.91Å; F189-M201 HydrophobicContact CE2-SD 4.04Å; F189-M201 HydrophobicContact CG-CE 3.91Å; F189-M201 HydrophobicContact CG-CG 4.36Å; F189-M201 HydrophobicContact CG-SD 3.56Å; F189-M201 VanDerWaalsContact CG-SD 3.56Å; F189-M201 HydrophobicContact CZ-SD 4.11Å; S195-M201 WeakPolarHBondContact O-CE 3.48Å; W196-M201 WeakPolarHBondContact O-CE 3.29Å; D197-M201 WeakPolarHBondContact O-CG 3.43Å; D197-M201 PolarHBondContact O-N 3.23Å; D197-M201 VanDerWaalsContact O-N 3.12Å; P198-M201 PolarHBondContact O-N 3.29Å; Q199-M201 VanDerWaalsContact C-N 3.32Å; Q199-M201 PolarHBondContact O-N 2.95Å; M201-L203 VanDerWaalsContact C-N 3.32Å; M201-L203 PolarHBondContact O-N 3.33Å; M201-L204 PolarHBondContact O-N 3.35Å; M201-N205 WeakPolarHBondContact O-CB 3.24Å; M201-N205 PolarHBondContact O-N 3.03Å; M201-F263 HydrophobicContact SD-CE1 4.19Å; M201-L266 HydrophobicContact CB-CD1 4.48Å
202A82.5Confident83.7Confident38 Ų3856.9 Ų56.931%0.31431%0.314SS..Hα-helixtrans-65.4-35.8179.700000112.3P198 Q199 P265 L266P198-A202 WeakPolarHBondContact O-CB 3.48Å; P198-A202 PolarHBondContact O-N 3.01Å; Q199-A202 PolarHBondContact O-N 2.73Å; A202-P265 HydrophobicContact CB-CB 4.25Å; A202-L266 HydrophobicContact CB-CD2 4.44Å
203L83.6Confident83.9Confident151 Ų15151.4 Ų51.479%0.79129%0.289SS*.Hα-helixtrans-71.4-39.8177.2-71.3167.9000112.9Q199 Q200 M201Q199-L203 VanDerWaalsContact O-CG 3.3Å; Q199-L203 WeakPolarHBondContact O-CG 3.08Å; Q199-L203 PolarHBondContact O-N 3.11Å; Q200-L203 PolarHBondContact O-N 3.45Å; M201-L203 VanDerWaalsContact C-N 3.32Å; M201-L203 PolarHBondContact O-N 3.33Å
204L80.9Confident84.3Confident102 Ų10254.2 Ų54.253%0.53430%0.303SS..Hα-helixtrans-79.3-34.1-176.1-69.6171.9000113Q200 M201 A206Q200-L204 HydrophobicContact CG-CD1 3.77Å; Q200-L204 HydrophobicContact CG-CG 4.39Å; Q200-L204 WeakPolarHBondContact O-CB 3.37Å; Q200-L204 VanDerWaalsContact O-CG 3.3Å; Q200-L204 WeakPolarHBondContact O-CG 3.33Å; Q200-L204 PolarHBondContact O-N 2.77Å; M201-L204 PolarHBondContact O-N 3.35Å; L204-A206 PolarHBondContact O-N 3.11Å
205N69.6Low84.6Confident31 Ų3150.7 Ų50.717%0.16629%0.285CS..  trans-103.878.8-172.6-70.4-24000111.9M201 N207 L266M201-N205 WeakPolarHBondContact O-CB 3.24Å; M201-N205 PolarHBondContact O-N 3.03Å; N205-N207 PolarHBondContact O-N 3.42Å; N205-L266 HydrophobicContact CB-CD2 4.38Å
206A64.5Low84.9Confident70 Ų7050.4 Ų50.458%0.57928%0.283SS*.SBendtrans-58.5-35.9169.600000111.9L204 P208 N269L204-A206 PolarHBondContact O-N 3.11Å; A206-P208 WeakPolarHBondContact O-CD 3.17Å; A206-N269 PolarHBondContact O-ND2 3.48Å
207N72Confident85.3Confident147 Ų14749.2 Ų49.279%0.78628%0.28SS*.SBendtrans-117.889.4174.3-69.5-16.2000109.9N205N205-N207 PolarHBondContact O-N 3.42Å
208P72.8Confident85.7Confident20 Ų2050.1 Ų50.113%0.1328%0.284CS..  trans-67138.8-17923.8-27.7000110.5A206 L213 L266 N269A206-P208 WeakPolarHBondContact O-CD 3.17Å; P208-L213 HydrophobicContact CB-CD1 4.08Å; P208-L213 HydrophobicContact CG-CD1 4.13Å; P208-L266 HydrophobicContact CB-CD2 4.39Å; P208-L266 WeakPolarHBondContact CG-O 3.47Å; P208-N269 HydrophobicContact CG-CB 4.29Å
209S83.1Confident86.3Confident35 Ų3549 Ų4925%0.24528%0.277CS..  trans-67.7152.2172.3700000110.3W188 T211 P212W188-S209 WeakPolarHBondContact CH2-OG 3.29Å; W188-S209 VanDerWaalsContact CZ2-CB 3.48Å; W188-S209 WeakPolarHBondContact CZ2-OG 3.47Å; S209-T211 VanDerWaalsContact C-N 3.28Å; S209-T211 PolarHBondContact O-N 3.28Å; S209-T211 PolarHBondContact OG-OG1 3.26Å; S209-P212 VanDerWaalsContact O-CD 3.3Å; S209-P212 WeakPolarHBondContact O-CD 3.03Å; S209-P212 WeakPolarHBondContact O-CG 3.42Å; S209-P212 WeakPolarHBondContact OG-CD 3.46Å
210L91.3Very high86.8Confident68 Ų6846.6 Ų46.636%0.35627%0.266SS..Hα-helixtrans-66.1-30.7-179.1177.861.7000112.7L213 L214 L272 I273L210-L213 PolarHBondContact O-N 3.38Å; L210-L214 HydrophobicContact CD1-CD1 4.05Å; L210-L214 HydrophobicContact CD1-CD2 4.28Å; L210-L214 HydrophobicContact CD1-CG 3.81Å; L210-L214 HydrophobicContact CD2-CD1 4Å; L210-L214 HydrophobicContact CG-CD1 3.62Å; L210-L214 HydrophobicContact CG-CG 3.88Å; L210-L214 WeakPolarHBondContact O-CG 3.4Å; L210-L214 PolarHBondContact O-N 3.12Å; L210-L272 HydrophobicContact CD1-CD2 3.83Å; L210-L272 HydrophobicContact CD1-CG 4.47Å; L210-L272 HydrophobicContact CD2-CD2 3.7Å; L210-L272 HydrophobicContact CG-CD2 4.44Å; L210-I273 HydrophobicContact CD1-CD1 3.12Å; L210-I273 HydrophobicContact CD1-CG1 3.97Å
211T92.5Very high87.4Confident66 Ų6642.7 Ų42.741%0.40525%0.248SC..Hα-helixtrans-62.6-51.6-170.845.80000115.2W188 S209 L213 L214 G215W188-T211 PolarHBondContact NE1-OG1 3.17Å; S209-T211 VanDerWaalsContact C-N 3.28Å; S209-T211 PolarHBondContact O-N 3.28Å; S209-T211 PolarHBondContact OG-OG1 3.26Å; T211-L213 VanDerWaalsContact C-N 3.3Å; T211-L213 PolarHBondContact O-N 3.46Å; T211-L214 PolarHBondContact O-N 3.36Å; T211-G215 PolarHBondContact O-N 3.11Å
212P92.9Very high87.9Confident1 Ų142.7 Ų42.71%0.00625%0.248CC..Hα-helixtrans-63.9-36.7176.728.9-38.2000111.4A185 W188 F189 S209 G215 L216A185-P212 HydrophobicContact CB-CB 4.3Å; W188-P212 HydrophobicContact CB-CB 4.38Å; W188-P212 HydrophobicContact CD2-CB 4.09Å; W188-P212 HydrophobicContact CD2-CG 3.77Å; W188-P212 HydrophobicContact CE3-CB 3.77Å; W188-P212 HydrophobicContact CE3-CG 3.47Å; W188-P212 VanDerWaalsContact CE3-CG 3.47Å; W188-P212 HydrophobicContact CG-CB 4.33Å; W188-P212 HydrophobicContact CG-CG 4.38Å; W188-P212 HydrophobicContact CH2-CG 4.47Å; W188-P212 HydrophobicContact CZ3-CG 3.83Å; F189-P212 HydrophobicContact CE1-CB 3.94Å; F189-P212 HydrophobicContact CE1-CG 4.22Å; F189-P212 HydrophobicContact CE2-CB 4.1Å; F189-P212 HydrophobicContact CZ-CB 3.65Å; F189-P212 HydrophobicContact CZ-CG 4.3Å; S209-P212 VanDerWaalsContact O-CD 3.3Å; S209-P212 WeakPolarHBondContact O-CD 3.03Å; S209-P212 WeakPolarHBondContact O-CG 3.42Å; S209-P212 WeakPolarHBondContact OG-CD 3.46Å; P212-G215 PolarHBondContact O-N 3.04Å; P212-L216 VanDerWaalsContact O-CG 3.29Å; P212-L216 WeakPolarHBondContact O-CG 3.08Å; P212-L216 PolarHBondContact O-N 2.83Å
213L93.4Very high88.4Confident6 Ų641 Ų413%0.03123%0.234CC..Hα-helixtrans-69.2-38.3-179.7-64.7171.1000112.1P208 L210 T211 G215 L216 L217 L266 S270 I273P208-L213 HydrophobicContact CB-CD1 4.08Å; P208-L213 HydrophobicContact CG-CD1 4.13Å; L210-L213 PolarHBondContact O-N 3.38Å; T211-L213 VanDerWaalsContact C-N 3.3Å; T211-L213 PolarHBondContact O-N 3.46Å; L213-G215 VanDerWaalsContact C-N 3.33Å; L213-L216 HydrophobicContact CD2-CD1 4.39Å; L213-L216 PolarHBondContact O-N 3.47Å; L213-L217 WeakPolarHBondContact O-CB 3.26Å; L213-L217 PolarHBondContact O-N 3.05Å; L213-L266 HydrophobicContact CD2-CB 3.98Å; L213-S270 WeakPolarHBondContact CD1-OG 3.19Å; L213-I273 HydrophobicContact CB-CD1 4.4Å; L213-I273 HydrophobicContact CB-CG1 3.59Å; L213-I273 HydrophobicContact CB-CG2 4.4Å; L213-I273 HydrophobicContact CD1-CD1 4.13Å; L213-I273 HydrophobicContact CD1-CG1 3.85Å; L213-I273 HydrophobicContact CG-CG1 4.33Å
214L95.4Very high89Confident67 Ų6733.8 Ų33.835%0.35120%0.196SC..Hα-helixtrans-63.3-39.7169.6-74.9177000111.7L210 T211 L217 L218 L276L210-L214 HydrophobicContact CD1-CD1 4.05Å; L210-L214 HydrophobicContact CD1-CD2 4.28Å; L210-L214 HydrophobicContact CD1-CG 3.81Å; L210-L214 HydrophobicContact CD2-CD1 4Å; L210-L214 HydrophobicContact CG-CD1 3.62Å; L210-L214 HydrophobicContact CG-CG 3.88Å; L210-L214 WeakPolarHBondContact O-CG 3.4Å; L210-L214 PolarHBondContact O-N 3.12Å; T211-L214 PolarHBondContact O-N 3.36Å; L214-L217 PolarHBondContact O-N 3.34Å; L214-L218 WeakPolarHBondContact O-CB 3.44Å; L214-L218 PolarHBondContact O-N 3.21Å; L214-L276 HydrophobicContact CD2-CD1 3.81Å
215G96Very high89.6Confident2 Ų229 Ų292%0.02117%0.171CC..Hα-helixtrans-60.4-46.8173.600000112.5G181 T211 P212 L213 L217 L218 A219G181-G215 CarbonylContact C-O 3.59Å; G181-G215 VanDerWaalsContact CA-O 3.28Å; G181-G215 WeakPolarHBondContact CA-O 3.44Å; G181-G215 CarbonylContact O-C 3.3Å; G181-G215 VanDerWaalsContact O-C 3.3Å; G181-G215 VanDerWaalsContact O-CA 3.26Å; G181-G215 WeakPolarHBondContact O-CA 3.33Å; T211-G215 PolarHBondContact O-N 3.11Å; P212-G215 PolarHBondContact O-N 3.04Å; L213-G215 VanDerWaalsContact C-N 3.33Å; G215-L217 PolarHBondContact O-N 2.88Å; G215-L218 PolarHBondContact O-N 3.37Å; G215-A219 WeakPolarHBondContact O-CB 3.29Å; G215-A219 PolarHBondContact O-N 3.14Å
216L95.6Very high90.9Very high1 Ų127.5 Ų27.51%0.00516%0.163CC..Hα-helixtrans-64.4-37.9175.7-67.1170.6000111.8A185 F189 P212 L213 A219 A220 L259 L260 F263A185-L216 HydrophobicContact CB-CD2 3.9Å; A185-L216 HydrophobicContact CB-CG 3.91Å; F189-L216 HydrophobicContact CE2-CD1 4.43Å; F189-L216 HydrophobicContact CZ-CD1 4.41Å; P212-L216 VanDerWaalsContact O-CG 3.29Å; P212-L216 WeakPolarHBondContact O-CG 3.08Å; P212-L216 PolarHBondContact O-N 2.83Å; L213-L216 HydrophobicContact CD2-CD1 4.39Å; L213-L216 PolarHBondContact O-N 3.47Å; L216-A219 PolarHBondContact O-N 2.55Å; L216-A220 VanDerWaalsContact O-CB 3.32Å; L216-A220 WeakPolarHBondContact O-CB 3.43Å; L216-A220 PolarHBondContact O-N 3.19Å; L216-L259 HydrophobicContact CB-CD2 3.84Å; L216-L259 HydrophobicContact CD2-CD1 4.28Å; L216-L259 HydrophobicContact CD2-CD2 3.59Å; L216-L259 HydrophobicContact CD2-CG 4.2Å; L216-L259 HydrophobicContact CG-CD2 4.21Å; L216-L260 HydrophobicContact CB-CD2 4.19Å; L216-F263 HydrophobicContact CD1-CB 3.99Å; L216-F263 HydrophobicContact CD1-CD1 4.24Å; L216-F263 HydrophobicContact CD1-CD2 3.88Å; L216-F263 HydrophobicContact CD1-CG 3.75Å; L216-F263 HydrophobicContact CD2-CD2 4.08Å; L216-F263 HydrophobicContact CD2-CE2 4.21Å
217L96.6Very high92.3Very high19 Ų1927.2 Ų27.210%0.09915%0.152CC..Hα-helixtrans-64.1-42.1174.1-175.7154.6000111.5L213 L214 G215 A220 A221 L276 T277 L280 M314L213-L217 WeakPolarHBondContact O-CB 3.26Å; L213-L217 PolarHBondContact O-N 3.05Å; L214-L217 PolarHBondContact O-N 3.34Å; G215-L217 PolarHBondContact O-N 2.88Å; L217-A220 PolarHBondContact O-N 3.07Å; L217-A221 VanDerWaalsContact O-CB 3.3Å; L217-A221 WeakPolarHBondContact O-CB 3.39Å; L217-A221 PolarHBondContact O-N 3.35Å; L217-L276 HydrophobicContact CD1-CB 4.02Å; L217-T277 HydrophobicContact CD1-CG2 3.52Å; L217-T277 HydrophobicContact CG-CG2 4.27Å; L217-L280 HydrophobicContact CD2-CD1 4.19Å; L217-M314 HydrophobicContact CG-CE 4.19Å
218L97.3Very high93.4Very high66 Ų6621.3 Ų21.335%0.34613%0.125SC..Hα-helixtrans-64.7-43175-176.367.4000111.5L214 G215 A220 A221 G222 L229L214-L218 WeakPolarHBondContact O-CB 3.44Å; L214-L218 PolarHBondContact O-N 3.21Å; G215-L218 PolarHBondContact O-N 3.37Å; L218-A220 PolarHBondContact O-N 3.37Å; L218-A221 PolarHBondContact O-N 3.02Å; L218-G222 PolarHBondContact O-N 3.11Å; L218-L229 HydrophobicContact CD1-CD1 4.41Å
219A96.9Very high94.5Very high0 Ų021.4 Ų21.40%013%0.125CC..Hα-helixtrans-59.1-47.5174.900000111.3W144 G178 F182 G215 L216 A221 G222 K223 L259W144-A219 HydrophobicContact CH2-CB 4.09Å; W144-A219 WeakPolarHBondContact CH2-O 3.1Å; W144-A219 HydrophobicContact CZ2-CB 3.86Å; W144-A219 WeakPolarHBondContact CZ2-O 3.33Å; G178-A219 VanDerWaalsContact O-CA 3.31Å; G178-A219 WeakPolarHBondContact O-CA 3.16Å; G178-A219 WeakPolarHBondContact O-CB 3.47Å; F182-A219 HydrophobicContact CB-CB 3.93Å; F182-A219 HydrophobicContact CD2-CB 4.25Å; G215-A219 WeakPolarHBondContact O-CB 3.29Å; G215-A219 PolarHBondContact O-N 3.14Å; L216-A219 PolarHBondContact O-N 2.55Å; A219-A221 PolarHBondContact O-N 2.91Å; A219-G222 PolarHBondContact O-N 3.08Å; A219-K223 PolarHBondContact O-N 3.13Å; A219-L259 HydrophobicContact CB-CD1 4.43Å
220A96.4Very high95.1Very high0 Ų020.1 Ų20.10%012%0.115CC..Hα-helixtrans-61.6-43.2175.500000111.8L216 L217 L218 G222 S224 G256 L260L216-A220 VanDerWaalsContact O-CB 3.32Å; L216-A220 WeakPolarHBondContact O-CB 3.43Å; L216-A220 PolarHBondContact O-N 3.19Å; L217-A220 PolarHBondContact O-N 3.07Å; L218-A220 PolarHBondContact O-N 3.37Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 2.97Å; A220-S224 VanDerWaalsContact O-CB 3.28Å; A220-S224 WeakPolarHBondContact O-CB 3.44Å; A220-S224 PolarHBondContact O-N 2.94Å; A220-S224 PolarHBondContact O-OG 2.98Å; A220-G256 VanDerWaalsContact CB-O 3.26Å; A220-G256 WeakPolarHBondContact CB-O 3.23Å; A220-L260 HydrophobicContact CB-CD1 3.47Å; A220-L260 VanDerWaalsContact CB-CD1 3.47Å; A220-L260 HydrophobicContact CB-CD2 4.31Å; A220-L260 HydrophobicContact CB-CG 3.69Å
221A96.7Very high95.2Very high6 Ų617.1 Ų17.15%0.0510%0.1CC..Hα-helixtrans-60.7-39.7178.900000112.6L217 L218 A219 A225 Q226 L229L217-A221 VanDerWaalsContact O-CB 3.3Å; L217-A221 WeakPolarHBondContact O-CB 3.39Å; L217-A221 PolarHBondContact O-N 3.35Å; L218-A221 PolarHBondContact O-N 3.02Å; A219-A221 PolarHBondContact O-N 2.91Å; A221-A225 PolarHBondContact O-N 3.41Å; A221-Q226 HydrophobicContact CB-CB 4.04Å; A221-Q226 HydrophobicContact CB-CG 4.36Å; A221-Q226 PolarHBondContact O-N 2.79Å; A221-L229 HydrophobicContact CB-CD1 4.44Å
222G95.3Very high95.3Very high0 Ų014 Ų140%08%0.08CC..Hα-helixtrans-64.4-60.1176.400000112.7L218 A219 A220 S224 A225 W232L218-G222 PolarHBondContact O-N 3.11Å; A219-G222 PolarHBondContact O-N 3.08Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 2.97Å; G222-S224 PolarHBondContact O-N 2.82Å; G222-A225 PolarHBondContact O-N 2.79Å; G222-W232 PolarHBondContact O-NE1 3.45Å; G222-W232 VanDerWaalsContact O-NE1 3.08Å
223K94.7Very high95.4Very high3 Ų314 Ų141%0.0138%0.08CC..Hα-helixtrans-70.6-29.6-176.8-73.4-73.2175.8167.10113.9W144 N175 A219 A225 W232 V253W144-K223 HydrophobicContact CD2-CG 4.06Å; W144-K223 VanDerWaalsContact CE2-CE 3.46Å; W144-K223 VanDerWaalsContact CE2-CG 3.45Å; W144-K223 HydrophobicContact CE3-CG 4.26Å; W144-K223 HydrophobicContact CH2-CB 3.72Å; W144-K223 HydrophobicContact CH2-CG 3.34Å; W144-K223 HydrophobicContact CZ2-CB 3.93Å; W144-K223 HydrophobicContact CZ2-CD 4.19Å; W144-K223 HydrophobicContact CZ2-CG 3.08Å; W144-K223 HydrophobicContact CZ3-CB 4.3Å; W144-K223 HydrophobicContact CZ3-CG 3.92Å; W144-K223 VanDerWaalsContact NE1-CE 3.25Å; W144-K223 PolarHBondContact O-NZ 3.38Å; N175-K223 HydrophobicContact CB-CD 4.39Å; N175-K223 WeakPolarHBondContact OD1-CD 3.08Å; A219-K223 PolarHBondContact O-N 3.13Å; K223-A225 VanDerWaalsContact C-N 3.34Å; K223-W232 WeakPolarHBondContact O-CZ2 3.32Å; K223-V253 WeakPolarHBondContact O-CA 3.47Å
224S95.1Very high95.4Very high0 Ų014 Ų140%08%0.081CC..THydrogen-bonded Turntrans-92.710.6179.970.40000114.5A220 G222 Q226 V253A220-S224 VanDerWaalsContact O-CB 3.28Å; A220-S224 WeakPolarHBondContact O-CB 3.44Å; A220-S224 PolarHBondContact O-N 2.94Å; A220-S224 PolarHBondContact O-OG 2.98Å; G222-S224 PolarHBondContact O-N 2.82Å; S224-Q226 VanDerWaalsContact C-N 3.35Å; S224-Q226 PolarHBondContact O-N 3.44Å; S224-Q226 VanDerWaalsContact OG-CG 3.28Å; S224-Q226 WeakPolarHBondContact OG-CG 3.4Å; S224-Q226 PolarHBondContact OG-NE2 3.06Å; S224-V253 VanDerWaalsContact CA-O 3.31Å; S224-V253 WeakPolarHBondContact CA-O 3.38Å; S224-V253 WeakPolarHBondContact CB-O 3.35Å
225A93.8Very high95.2Very high0 Ų012 Ų120%07%0.072CC..THydrogen-bonded Turntrans53.747.8176.200000113.1A221 G222 K223 H230 W232 L233 V253A221-A225 PolarHBondContact O-N 3.41Å; G222-A225 PolarHBondContact O-N 2.79Å; K223-A225 VanDerWaalsContact C-N 3.34Å; A225-H230 WeakPolarHBondContact O-CB 3.29Å; A225-W232 HydrophobicContact CB-CZ2 4.04Å; A225-L233 HydrophobicContact CB-CB 3.66Å; A225-L233 HydrophobicContact CB-CD1 3.65Å; A225-L233 HydrophobicContact CB-CG 4.31Å; A225-V253 HydrophobicContact CB-CG1 4.41Å
226Q96.8Very high95.1Very high0 Ų012 Ų120%07%0.072CC..  trans-79.8175.4176.3-55.9-69.5-17.600111.1A221 S224 L229 H230 L280 T284 L310A221-Q226 HydrophobicContact CB-CB 4.04Å; A221-Q226 HydrophobicContact CB-CG 4.36Å; A221-Q226 PolarHBondContact O-N 2.79Å; S224-Q226 VanDerWaalsContact C-N 3.35Å; S224-Q226 PolarHBondContact O-N 3.44Å; S224-Q226 VanDerWaalsContact OG-CG 3.28Å; S224-Q226 WeakPolarHBondContact OG-CG 3.4Å; S224-Q226 PolarHBondContact OG-NE2 3.06Å; Q226-L229 CarbonylContact O-C 3.53Å; Q226-L229 WeakPolarHBondContact O-CA 3.45Å; Q226-L229 PolarHBondContact O-N 3.34Å; Q226-H230 WeakPolarHBondContact O-CA 3.3Å; Q226-H230 WeakPolarHBondContact O-CB 3.31Å; Q226-H230 PolarHBondContact O-N 3.32Å; Q226-L280 HydrophobicContact CB-CD2 3.51Å; Q226-L280 HydrophobicContact CB-CG 4.31Å; Q226-L280 HydrophobicContact CG-CD2 3.61Å; Q226-T284 HydrophobicContact CB-CG2 3.88Å; Q226-T284 VanDerWaalsContact OE1-CG2 3.23Å; Q226-T284 PolarHBondContact OE1-OG1 3.27Å; Q226-L310 PolarHBondContact NE2-O 3.4Å
227L94.8Very high95Very high65 Ų6512.1 Ų12.134%0.347%0.073SC..THydrogen-bonded Turntrans-61.6144.4-170.4-159.588.3000109.2L229 I283 T284 F287L227-L229 PolarHBondContact O-N 3.45Å; L227-I283 HydrophobicContact CD1-CG2 3.99Å; L227-I283 HydrophobicContact CD2-CB 4.42Å; L227-I283 HydrophobicContact CD2-CG2 3.51Å; L227-I283 HydrophobicContact CG-CG2 4.23Å; L227-T284 HydrophobicContact CB-CG2 3.54Å; L227-F287 HydrophobicContact CD1-CB 3.74Å; L227-F287 HydrophobicContact CD1-CD1 3.92Å; L227-F287 HydrophobicContact CD1-CD2 4.29Å; L227-F287 HydrophobicContact CD1-CG 3.7Å
228G94.2Very high94.8Very high23 Ų2314.1 Ų14.124%0.2378%0.081CC..THydrogen-bonded Turntrans83.4-42.6-167.600000113.3Y529G228-Y529 PolarHBondContact O-OH 3.09Å
229L95.7Very high94.6Very high21 Ų2111 Ų1111%0.117%0.065CC..SBendtrans-112.818.5-179.4-51.6176.5000113.1Y174 I177 L218 A221 Q226 L227 P231 W232Y174-L229 HydrophobicContact CD1-CB 3.8Å; Y174-L229 HydrophobicContact CD1-CD2 3.52Å; Y174-L229 HydrophobicContact CD1-CG 4.22Å; Y174-L229 HydrophobicContact CE1-CB 4.36Å; Y174-L229 HydrophobicContact CE1-CD2 3.84Å; I177-L229 HydrophobicContact CB-CD2 4.42Å; I177-L229 HydrophobicContact CD1-CD2 4.05Å; I177-L229 HydrophobicContact CG2-CD1 4.03Å; I177-L229 HydrophobicContact CG2-CD2 3.99Å; L218-L229 HydrophobicContact CD1-CD1 4.41Å; A221-L229 HydrophobicContact CB-CD1 4.44Å; Q226-L229 CarbonylContact O-C 3.53Å; Q226-L229 WeakPolarHBondContact O-CA 3.45Å; Q226-L229 PolarHBondContact O-N 3.34Å; L227-L229 PolarHBondContact O-N 3.45Å; L229-P231 VanDerWaalsContact C-CD 3.49Å; L229-W232 PolarHBondContact O-NE1 2.78Å
230H94.9Very high94.4Very high8 Ų811 Ų114%0.0377%0.066CC..  trans-77.6-28.5-177.166.6-81000116.9A225 Q226 W232 L233 P234 F287 Y529A225-H230 WeakPolarHBondContact O-CB 3.29Å; Q226-H230 WeakPolarHBondContact O-CA 3.3Å; Q226-H230 WeakPolarHBondContact O-CB 3.31Å; Q226-H230 PolarHBondContact O-N 3.32Å; H230-W232 PolarHBondContact O-N 3.12Å; H230-L233 PolarHBondContact O-N 2.67Å; H230-P234 VanDerWaalsContact O-CD 3.27Å; H230-P234 WeakPolarHBondContact O-CD 3.36Å; H230-F287 AromaticContact CD2-CE1 3.56Å; H230-F287 AromaticContact CE1-CE1 3.77Å; H230-F287 AromaticContact NE2-CE1 3.21Å; H230-F287 WeakPolarHBondContact NE2-CE1 3.48Å; H230-F287 AromaticContact NE2-CZ 3.73Å; H230-Y529 AromaticContact CE1-CD1 3.7Å; H230-Y529 AromaticContact CE1-CG 3.78Å
231P95.1Very high94.4Very high6 Ų611 Ų114%0.0397%0.066CC..THydrogen-bonded Turntrans-65.5-17.5-166.4-26.836.5000116.1Q170 L229 L233 P234 S235 Y529 P530Q170-P231 PolarHBondContact NE2-O 2.87Å; L229-P231 VanDerWaalsContact C-CD 3.49Å; P231-L233 VanDerWaalsContact C-N 3.28Å; P231-L233 PolarHBondContact O-N 2.71Å; P231-P234 WeakPolarHBondContact O-CD 3.26Å; P231-S235 PolarHBondContact O-OG 3.12Å; P231-Y529 HydrophobicContact CG-CD1 3.39Å; P231-Y529 HydrophobicContact CG-CE1 3.48Å; P231-Y529 VanDerWaalsContact CG-CE1 3.48Å; P231-P530 HydrophobicContact CB-CG 4.28Å
232W94.8Very high94.3Very high0 Ų010.8 Ų10.80%06%0.063CC..Hα-helixtrans-70.7-27.3-179.572-96.7000112.7Q170 A171 Y174 G222 K223 A225 L229 H230 S235 A236 M252 V253Q170-W232 HydrophobicContact CG-CB 4.35Å; A171-W232 HydrophobicContact CB-CB 4.3Å; A171-W232 HydrophobicContact CB-CD2 4.48Å; A171-W232 HydrophobicContact CB-CE3 3.92Å; Y174-W232 HydrophobicContact CD2-CB 3.7Å; Y174-W232 HydrophobicContact CD2-CG 4.32Å; Y174-W232 HydrophobicContact CE2-CB 4.42Å; Y174-W232 HydrophobicContact CG-CB 4.24Å; Y174-W232 AromaticContact CG-CD1 3.85Å; Y174-W232 HydrophobicContact CG-CG 4.39Å; G222-W232 PolarHBondContact O-NE1 3.45Å; G222-W232 VanDerWaalsContact O-NE1 3.08Å; K223-W232 WeakPolarHBondContact O-CZ2 3.32Å; A225-W232 HydrophobicContact CB-CZ2 4.04Å; L229-W232 PolarHBondContact O-NE1 2.78Å; H230-W232 PolarHBondContact O-N 3.12Å; W232-S235 WeakPolarHBondContact CA-OG 3.49Å; W232-S235 PolarHBondContact O-N 2.76Å; W232-S235 PolarHBondContact O-OG 3.23Å; W232-S235 VanDerWaalsContact O-OG 3.11Å; W232-A236 HydrophobicContact CE3-CB 4.44Å; W232-A236 WeakPolarHBondContact O-CB 3.32Å; W232-A236 PolarHBondContact O-N 3.35Å; W232-M252 HydrophobicContact CE3-CE 4.49Å; W232-M252 HydrophobicContact CH2-CE 3.52Å; W232-M252 HydrophobicContact CH2-CG 4.26Å; W232-M252 HydrophobicContact CH2-SD 3.79Å; W232-M252 HydrophobicContact CZ2-CE 4.31Å; W232-M252 HydrophobicContact CZ3-CE 3.62Å; W232-M252 HydrophobicContact CZ3-SD 3.86Å; W232-V253 HydrophobicContact CH2-CG2 3.99Å
233L93.8Very high94.3Very high0 Ų010.9 Ų10.90%06%0.064CC..Hα-helixtrans-69.8-45.6-176.9-177.5155.7000111.6A225 H230 P231 A236 M237 V253 A303 L310A225-L233 HydrophobicContact CB-CB 3.66Å; A225-L233 HydrophobicContact CB-CD1 3.65Å; A225-L233 HydrophobicContact CB-CG 4.31Å; H230-L233 PolarHBondContact O-N 2.67Å; P231-L233 VanDerWaalsContact C-N 3.28Å; P231-L233 PolarHBondContact O-N 2.71Å; L233-A236 PolarHBondContact O-N 2.94Å; L233-M237 WeakPolarHBondContact O-CE 3.3Å; L233-V253 HydrophobicContact CD1-CB 4.42Å; L233-V253 HydrophobicContact CD1-CG1 3.68Å; L233-V253 HydrophobicContact CD1-CG2 3.86Å; L233-A303 HydrophobicContact CD2-CB 3.62Å; L233-A303 WeakPolarHBondContact CD2-O 3.18Å; L233-L310 HydrophobicContact CD1-CD1 4.46Å
234P93.1Very high94.2Very high7 Ų710.8 Ų10.85%0.0456%0.064CC..Hα-helixtrans-64.4-35172.8-25.234.7000114.1H230 P231 M237 F304H230-P234 VanDerWaalsContact O-CD 3.27Å; H230-P234 WeakPolarHBondContact O-CD 3.36Å; P231-P234 WeakPolarHBondContact O-CD 3.26Å; P234-M237 WeakPolarHBondContact O-CB 3.48Å; P234-M237 VanDerWaalsContact O-CG 3.31Å; P234-M237 WeakPolarHBondContact O-CG 3.44Å; P234-M237 PolarHBondContact O-N 3.45Å; P234-F304 HydrophobicContact CB-CE1 4.35Å; P234-F304 HydrophobicContact CB-CE2 4.01Å; P234-F304 HydrophobicContact CB-CZ 3.67Å; P234-F304 HydrophobicContact CG-CD1 4.17Å; P234-F304 HydrophobicContact CG-CE1 3.36Å; P234-F304 HydrophobicContact CG-CE2 3.89Å; P234-F304 HydrophobicContact CG-CZ 3.16Å
235S92.8Very high94Very high25 Ų2510.8 Ų10.818%0.1756%0.064CC..Hα-helixtrans-74.7-27.2178.459.40000112.8A167 Q170 P231 W232 M237 E238A167-S235 VanDerWaalsContact CB-O 3.32Å; A167-S235 WeakPolarHBondContact CB-O 3.45Å; Q170-S235 VanDerWaalsContact CD-OG 3.28Å; Q170-S235 PolarHBondContact NE2-OG 3.2Å; Q170-S235 PolarHBondContact OE1-OG 2.97Å; P231-S235 PolarHBondContact O-OG 3.12Å; W232-S235 WeakPolarHBondContact CA-OG 3.49Å; W232-S235 PolarHBondContact O-N 2.76Å; W232-S235 PolarHBondContact O-OG 3.23Å; W232-S235 VanDerWaalsContact O-OG 3.11Å; S235-M237 PolarHBondContact O-N 3.35Å; S235-E238 PolarHBondContact O-N 3.04Å; S235-E238 VanDerWaalsContact O-N 3.14Å
236A92.8Very high94Very high2 Ų210.9 Ų10.92%0.0176%0.064CC..G310 helixtrans-59.5-12.8172.100000113.8I155 W232 L233 E238 G239I155-A236 HydrophobicContact CD1-CB 3.75Å; I155-A236 HydrophobicContact CG1-CB 4.16Å; W232-A236 HydrophobicContact CE3-CB 4.44Å; W232-A236 WeakPolarHBondContact O-CB 3.32Å; W232-A236 PolarHBondContact O-N 3.35Å; L233-A236 PolarHBondContact O-N 2.94Å; A236-E238 PolarHBondContact O-N 2.95Å; A236-G239 PolarHBondContact O-N 3.4Å; A236-G239 VanDerWaalsContact O-N 3.16Å
237M93.9Very high93.5Very high3 Ų311 Ų112%0.0157%0.065CC..G310 helixtrans-67.5-7.1173.7-61.1-57.1120.900114.2L233 P234 S235 G239 H248 K299 K300 A303 F340L233-M237 WeakPolarHBondContact O-CE 3.3Å; P234-M237 WeakPolarHBondContact O-CB 3.48Å; P234-M237 VanDerWaalsContact O-CG 3.31Å; P234-M237 WeakPolarHBondContact O-CG 3.44Å; P234-M237 PolarHBondContact O-N 3.45Å; S235-M237 PolarHBondContact O-N 3.35Å; M237-G239 PolarHBondContact O-N 3.13Å; M237-H248 WeakPolarHBondContact CE-CD2 3.37Å; M237-H248 WeakPolarHBondContact CE-NE2 3.3Å; M237-K299 HydrophobicContact CB-CB 4.15Å; M237-K299 HydrophobicContact CG-CB 4.1Å; M237-K299 WeakPolarHBondContact O-CE 3.48Å; M237-K299 PolarHBondContact O-NZ 3.48Å; M237-K299 HydrophobicContact SD-CB 3.89Å; M237-K300 HydrophobicContact CB-CG 4.46Å; M237-K300 HydrophobicContact CG-CG 4.29Å; M237-A303 HydrophobicContact CE-CB 3.43Å; M237-A303 VanDerWaalsContact CE-CB 3.43Å; M237-A303 HydrophobicContact CG-CB 3.89Å; M237-A303 HydrophobicContact SD-CB 3.76Å; M237-F340 HydrophobicContact CE-CE1 4.46Å; M237-F340 HydrophobicContact CE-CZ 4.33Å; M237-F340 HydrophobicContact SD-CE1 3.81Å; M237-F340 HydrophobicContact SD-CZ 4.22Å
238E91.6Very high92.9Very high61 Ų617.9 Ų7.929%0.2855%0.049SC..G310 helixtrans-68.2-23.8168.9-69.4-55.2144.700112.7D163 A164 S235 A236D163-E238 HydrophobicContact CB-CG 4.45Å; A164-E238 HydrophobicContact CB-CB 4.4Å; S235-E238 PolarHBondContact O-N 3.04Å; S235-E238 VanDerWaalsContact O-N 3.14Å; A236-E238 PolarHBondContact O-N 2.95Å
239G92.5Very high92.1Very high1 Ų16.8 Ų6.81%0.014%0.037CC..SBendtrans-65.4160.4174.500000112.9A236 M237 K299A236-G239 PolarHBondContact O-N 3.4Å; A236-G239 VanDerWaalsContact O-N 3.16Å; M237-G239 PolarHBondContact O-N 3.13Å; G239-K299 PolarHBondContact O-NZ 2.86Å
240P94.8Very high91Very high1 Ų15.8 Ų5.81%0.0063%0.032CC..  trans-62.3152-179.626.8-33.8000111.7Y107 M108 F117 W157 W158 P242 V243 S244Y107-P240 HydrophobicContact CE1-CB 4.39Å; M108-P240 HydrophobicContact SD-CB 4.16Å; F117-P240 HydrophobicContact CE2-CG 3.85Å; F117-P240 HydrophobicContact CZ-CG 4.46Å; W157-P240 HydrophobicContact CB-CG 4.32Å; W157-P240 HydrophobicContact CG-CG 4.5Å; W158-P240 HydrophobicContact CH2-CB 4.06Å; W158-P240 HydrophobicContact CZ2-CB 4.45Å; W158-P240 HydrophobicContact CZ3-CB 4.46Å; P240-P242 VanDerWaalsContact C-CD 3.41Å; P240-V243 HydrophobicContact CG-CB 4.13Å; P240-V243 HydrophobicContact CG-CG2 3.68Å; P240-V243 WeakPolarHBondContact O-CB 3.16Å; P240-V243 PolarHBondContact O-N 3.06Å; P240-S244 PolarHBondContact O-N 2.68Å; P240-S244 VanDerWaalsContact O-N 3.15Å
241T94.7Very high90.6Very high0 Ų05.5 Ų5.50%03%0.031CC..Hα-helixtrans-60.1-36.2-171.7620000114.8Y107 V243 S244 A245 K299 I347Y107-T241 WeakPolarHBondContact CD2-OG1 2.91Å; Y107-T241 HydrophobicContact CE2-CG2 4.1Å; Y107-T241 WeakPolarHBondContact CE2-OG1 3.35Å; Y107-T241 WeakPolarHBondContact OH-CG2 3.08Å; T241-V243 VanDerWaalsContact C-N 3.27Å; T241-V243 PolarHBondContact O-N 3.49Å; T241-S244 WeakPolarHBondContact CA-OG 3.38Å; T241-S244 PolarHBondContact O-N 3.15Å; T241-S244 PolarHBondContact O-OG 3.37Å; T241-A245 WeakPolarHBondContact O-CB 3.46Å; T241-A245 PolarHBondContact O-N 3.42Å; T241-K299 HydrophobicContact CG2-CD 3.95Å; T241-I347 HydrophobicContact CG2-CD1 4.05Å
242P95.3Very high90.4Very high0 Ų05.2 Ų5.20%03%0.029CC..Hα-helixtrans-63.8-33.8175.9-17.330.3000112.3I100 F103 Y107 F117 P240 A245 L246I100-P242 HydrophobicContact CG2-CB 3.92Å; I100-P242 WeakPolarHBondContact CG2-O 3.42Å; F103-P242 HydrophobicContact CD1-CB 4.2Å; F103-P242 HydrophobicContact CD1-CG 3.9Å; F103-P242 HydrophobicContact CE1-CB 4.5Å; F103-P242 HydrophobicContact CE1-CG 3.87Å; Y107-P242 HydrophobicContact CD1-CG 3.84Å; Y107-P242 HydrophobicContact CG-CG 4.13Å; F117-P242 HydrophobicContact CE1-CB 4.44Å; F117-P242 HydrophobicContact CZ-CB 4.16Å; F117-P242 HydrophobicContact CZ-CG 4.45Å; P240-P242 VanDerWaalsContact C-CD 3.41Å; P242-A245 PolarHBondContact O-N 3.32Å; P242-L246 WeakPolarHBondContact O-CB 3.38Å; P242-L246 PolarHBondContact O-N 2.96Å; P242-L246 VanDerWaalsContact O-N 3.09Å
243V94.5Very high90.4Very high3 Ų35.3 Ų5.32%0.0183%0.029CC..Hα-helixtrans-65.9-49174.8170.70000109.8F117 L154 P240 T241 A245 L246 L247F117-V243 HydrophobicContact CE2-CG2 3.51Å; F117-V243 HydrophobicContact CZ-CG2 3.69Å; L154-V243 HydrophobicContact CB-CB 4.42Å; L154-V243 HydrophobicContact CB-CG1 3.63Å; L154-V243 HydrophobicContact CB-CG2 3.86Å; L154-V243 HydrophobicContact CD1-CG1 4.46Å; L154-V243 HydrophobicContact CD1-CG2 4.39Å; L154-V243 HydrophobicContact CD2-CG2 3.91Å; L154-V243 HydrophobicContact CG-CG2 4.27Å; P240-V243 HydrophobicContact CG-CB 4.13Å; P240-V243 HydrophobicContact CG-CG2 3.68Å; P240-V243 WeakPolarHBondContact O-CB 3.16Å; P240-V243 PolarHBondContact O-N 3.06Å; T241-V243 VanDerWaalsContact C-N 3.27Å; T241-V243 PolarHBondContact O-N 3.49Å; V243-A245 VanDerWaalsContact C-N 3.28Å; V243-A245 PolarHBondContact O-N 3.45Å; V243-L246 PolarHBondContact O-N 2.91Å; V243-L247 HydrophobicContact CG1-CD1 3.47Å; V243-L247 VanDerWaalsContact CG1-CD1 3.47Å; V243-L247 HydrophobicContact CG1-CG 3.85Å; V243-L247 WeakPolarHBondContact O-CB 3.41Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L247 PolarHBondContact O-N 2.69Å
244S92.6Very high90.4Very high1 Ų15.3 Ų5.31%0.0073%0.03CC..Hα-helixtrans-60.8-39177.5590000112.2P240 T241 L246 H248P240-S244 PolarHBondContact O-N 2.68Å; P240-S244 VanDerWaalsContact O-N 3.15Å; T241-S244 WeakPolarHBondContact CA-OG 3.38Å; T241-S244 PolarHBondContact O-N 3.15Å; T241-S244 PolarHBondContact O-OG 3.37Å; S244-L246 VanDerWaalsContact C-N 3.25Å; S244-L246 PolarHBondContact O-N 3.23Å; S244-H248 WeakPolarHBondContact O-CB 3.09Å; S244-H248 PolarHBondContact O-CD2 2.94Å; S244-H248 PolarHBondContact O-N 2.65Å; S244-H248 VanDerWaalsContact O-N 3.12Å
245A92.4Very high90.5Very high0 Ų05 Ų50%03%0.028CC..Hα-helixtrans-59-39.9175.300000111.3I100 T241 P242 V243 S249 F340I100-A245 HydrophobicContact CD1-CB 4.18Å; I100-A245 HydrophobicContact CG1-CB 4.23Å; T241-A245 WeakPolarHBondContact O-CB 3.46Å; T241-A245 PolarHBondContact O-N 3.42Å; P242-A245 PolarHBondContact O-N 3.32Å; V243-A245 VanDerWaalsContact C-N 3.28Å; V243-A245 PolarHBondContact O-N 3.45Å; A245-S249 WeakPolarHBondContact O-CB 3.28Å; A245-S249 PolarHBondContact O-N 2.94Å; A245-S249 PolarHBondContact O-OG 3.14Å; A245-F340 HydrophobicContact CB-CB 3.57Å; A245-F340 HydrophobicContact CB-CG 4.36Å
246L92.1Very high90.5Very high2 Ų23.9 Ų3.91%0.012%0.02CC..Hα-helixtrans-78.6-50.5-177.1-162.6148.1000112.9T97 I100 L121 F124 P242 V243 S244 H248 T251T97-L246 HydrophobicContact CG2-CD1 3.57Å; T97-L246 HydrophobicContact CG2-CG 4.1Å; I100-L246 HydrophobicContact CD1-CB 3.73Å; I100-L246 HydrophobicContact CD1-CD1 4.21Å; I100-L246 HydrophobicContact CD1-CG 4.02Å; I100-L246 HydrophobicContact CG2-CB 4.38Å; I100-L246 HydrophobicContact CG2-CD1 4.29Å; L121-L246 HydrophobicContact CD1-CD1 4.06Å; L121-L246 HydrophobicContact CD2-CD1 3.16Å; L121-L246 HydrophobicContact CG-CD1 3.65Å; F124-L246 HydrophobicContact CD1-CD2 3.18Å; F124-L246 HydrophobicContact CE1-CD2 3.02Å; F124-L246 HydrophobicContact CG-CD2 4.23Å; F124-L246 HydrophobicContact CZ-CD2 3.93Å; P242-L246 WeakPolarHBondContact O-CB 3.38Å; P242-L246 PolarHBondContact O-N 2.96Å; P242-L246 VanDerWaalsContact O-N 3.09Å; V243-L246 PolarHBondContact O-N 2.91Å; S244-L246 VanDerWaalsContact C-N 3.25Å; S244-L246 PolarHBondContact O-N 3.23Å; L246-H248 VanDerWaalsContact C-N 3.35Å; L246-H248 PolarHBondContact O-N 2.98Å; L246-T251 HydrophobicContact CD2-CG2 3.95Å; L246-T251 WeakPolarHBondContact CD2-OG1 3.38Å; L246-T251 PolarHBondContact O-OG1 3.39Å
247L87.6Confident90.7Very high1 Ų13.8 Ų3.81%0.0052%0.019CC..Hα-helixtrans-62-42.7-176.3-67-176.5000111.5F124 I155 V243 M252 V253F124-L247 HydrophobicContact CD2-CD2 3.9Å; F124-L247 HydrophobicContact CE1-CD2 4.2Å; F124-L247 HydrophobicContact CE2-CD2 3.15Å; F124-L247 HydrophobicContact CZ-CD2 3.35Å; I155-L247 HydrophobicContact CG1-CD1 4.25Å; V243-L247 HydrophobicContact CG1-CD1 3.47Å; V243-L247 VanDerWaalsContact CG1-CD1 3.47Å; V243-L247 HydrophobicContact CG1-CG 3.85Å; V243-L247 WeakPolarHBondContact O-CB 3.41Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L247 PolarHBondContact O-N 2.69Å; L247-M252 HydrophobicContact CB-CB 4.47Å; L247-M252 HydrophobicContact CD2-CB 4.06Å; L247-M252 HydrophobicContact CD2-SD 4.18Å; L247-M252 PolarHBondContact O-N 3.09Å; L247-V253 PolarHBondContact O-N 3.07Å
248H81Confident90.8Very high1 Ų13.6 Ų3.61%0.0052%0.018CC..Hα-helixtrans-97.6-7-169.8-55.9-67.5000114.8M237 S244 L246 T306 F340M237-H248 WeakPolarHBondContact CE-CD2 3.37Å; M237-H248 WeakPolarHBondContact CE-NE2 3.3Å; S244-H248 WeakPolarHBondContact O-CB 3.09Å; S244-H248 PolarHBondContact O-CD2 2.94Å; S244-H248 PolarHBondContact O-N 2.65Å; S244-H248 VanDerWaalsContact O-N 3.12Å; L246-H248 VanDerWaalsContact C-N 3.35Å; L246-H248 PolarHBondContact O-N 2.98Å; H248-T306 HydrophobicContact CB-CG2 4.24Å; H248-T306 WeakPolarHBondContact O-CG2 3.13Å; H248-F340 HydrophobicContact CB-CE2 3.64Å; H248-F340 HydrophobicContact CB-CZ 3.94Å
249S77.2Confident91Very high0 Ų00.7 Ų0.70%01%0.005CC..Hα-helixtrans-92-59.517663.40000112.5A245 H332A245-S249 WeakPolarHBondContact O-CB 3.28Å; A245-S249 PolarHBondContact O-N 2.94Å; A245-S249 PolarHBondContact O-OG 3.14Å; S249-H332 PolarHBondContact O-ND1 2.87Å; S249-H332 VanDerWaalsContact O-ND1 3.15Å
250S73.8Confident91.1Very high0 Ų01.2 Ų1.20%01%0.007CC..THydrogen-bonded Turntrans-123-18.7-159.645.20000113.6F89F89-S250 VanDerWaalsContact CE2-O 3.26Å; F89-S250 WeakPolarHBondContact CE2-O 3.48Å; F89-S250 WeakPolarHBondContact CZ-O 3.41Å
251T86.4Confident91.1Very high2 Ų21.2 Ų1.21%0.0121%0.007CC..SBendtrans-120.9-85.7-160.859.40000114.5F124 M128 L246 V253 V254 A255F124-T251 VanDerWaalsContact CE1-CB 3.41Å; F124-T251 HydrophobicContact CE1-CG2 3.83Å; F124-T251 WeakPolarHBondContact CE1-OG1 3.42Å; F124-T251 WeakPolarHBondContact CZ-OG1 3.33Å; M128-T251 HydrophobicContact CB-CG2 4.48Å; M128-T251 VanDerWaalsContact CE-O 3.31Å; M128-T251 WeakPolarHBondContact CE-O 3.42Å; M128-T251 HydrophobicContact CG-CG2 3.92Å; L246-T251 HydrophobicContact CD2-CG2 3.95Å; L246-T251 WeakPolarHBondContact CD2-OG1 3.38Å; L246-T251 PolarHBondContact O-OG1 3.39Å; T251-V253 PolarHBondContact O-N 3.5Å; T251-V254 PolarHBondContact O-N 3.44Å; T251-A255 PolarHBondContact O-N 3.41Å
252M91.6Very high91Very high0 Ų02.4 Ų2.40%01%0.011CC..THydrogen-bonded Turntrans-62.4-51.4-166177.3-178-176.700112.7F124 V147 S151 N175 W232 L247 V254 A255F124-M252 HydrophobicContact CE2-CB 4.39Å; F124-M252 HydrophobicContact CZ-CB 4.06Å; V147-M252 HydrophobicContact CG1-CB 3.79Å; V147-M252 HydrophobicContact CG1-CG 3.82Å; S151-M252 WeakPolarHBondContact CB-SD 3.34Å; S151-M252 VanDerWaalsContact OG-CE 3.28Å; S151-M252 WeakPolarHBondContact OG-CE 3.29Å; N175-M252 WeakPolarHBondContact ND2-CE 3.49Å; W232-M252 HydrophobicContact CE3-CE 4.49Å; W232-M252 HydrophobicContact CH2-CE 3.52Å; W232-M252 HydrophobicContact CH2-CG 4.26Å; W232-M252 HydrophobicContact CH2-SD 3.79Å; W232-M252 HydrophobicContact CZ2-CE 4.31Å; W232-M252 HydrophobicContact CZ3-CE 3.62Å; W232-M252 HydrophobicContact CZ3-SD 3.86Å; L247-M252 HydrophobicContact CB-CB 4.47Å; L247-M252 HydrophobicContact CD2-CB 4.06Å; L247-M252 HydrophobicContact CD2-SD 4.18Å; L247-M252 PolarHBondContact O-N 3.09Å; M252-V254 PolarHBondContact O-N 3.27Å; M252-A255 VanDerWaalsContact O-CB 3.31Å; M252-A255 WeakPolarHBondContact O-CB 3.32Å; M252-A255 PolarHBondContact O-N 2.89Å
253V94.3Very high90.8Very high1 Ų12.7 Ų2.71%0.0061%0.013CC..THydrogen-bonded Turntrans-73.7-24.8-171-158.80000111.8K223 S224 A225 W232 L233 L247 T251 L310K223-V253 WeakPolarHBondContact O-CA 3.47Å; S224-V253 VanDerWaalsContact CA-O 3.31Å; S224-V253 WeakPolarHBondContact CA-O 3.38Å; S224-V253 WeakPolarHBondContact CB-O 3.35Å; A225-V253 HydrophobicContact CB-CG1 4.41Å; W232-V253 HydrophobicContact CH2-CG2 3.99Å; L233-V253 HydrophobicContact CD1-CB 4.42Å; L233-V253 HydrophobicContact CD1-CG1 3.68Å; L233-V253 HydrophobicContact CD1-CG2 3.86Å; L247-V253 PolarHBondContact O-N 3.07Å; T251-V253 PolarHBondContact O-N 3.5Å; V253-L310 HydrophobicContact CB-CD1 3.83Å; V253-L310 HydrophobicContact CG1-CD1 3.1Å; V253-L310 HydrophobicContact CG1-CD2 4.29Å; V253-L310 HydrophobicContact CG1-CG 4.3Å
254V94.3Very high90.6Very high1 Ų13.8 Ų3.81%0.0062%0.017CC..THydrogen-bonded Turntrans-74.5-27.4176.6170.70000111.7F89 T251 M252 G256 I257 F258 L310 I329F89-V254 HydrophobicContact CE2-CG1 4.38Å; T251-V254 PolarHBondContact O-N 3.44Å; M252-V254 PolarHBondContact O-N 3.27Å; V254-G256 PolarHBondContact O-N 3.18Å; V254-G256 VanDerWaalsContact O-N 3.13Å; V254-I257 PolarHBondContact O-N 3.39Å; V254-F258 WeakPolarHBondContact O-CB 3.34Å; V254-F258 PolarHBondContact O-N 2.99Å; V254-L310 HydrophobicContact CG2-CD2 4.18Å; V254-I329 HydrophobicContact CB-CG2 4.45Å; V254-I329 HydrophobicContact CG1-CB 4.2Å; V254-I329 HydrophobicContact CG1-CD1 3.69Å; V254-I329 HydrophobicContact CG1-CG1 3.81Å; V254-I329 HydrophobicContact CG1-CG2 3.33Å; V254-I329 HydrophobicContact CG2-CG2 4.3Å
255A93.9Very high90.5Very high1 Ų16.9 Ų6.91%0.0084%0.038CC..Hα-helixtrans-55-35.7-174.700000113.7M128 L131 W144 T251 M252 L259M128-A255 HydrophobicContact CE-CB 4.35Å; L131-A255 HydrophobicContact CD1-CB 3.81Å; L131-A255 HydrophobicContact CD2-CB 4.27Å; W144-A255 HydrophobicContact CZ3-CB 4.41Å; T251-A255 PolarHBondContact O-N 3.41Å; M252-A255 VanDerWaalsContact O-CB 3.31Å; M252-A255 WeakPolarHBondContact O-CB 3.32Å; M252-A255 PolarHBondContact O-N 2.89Å; A255-L259 WeakPolarHBondContact O-CB 3.49Å; A255-L259 PolarHBondContact O-N 3.38Å
256G94.3Very high90.3Very high0 Ų07.1 Ų7.10%04%0.039CC..Hα-helixtrans-65.8-41.9176.700000113.5A220 V254 L259 L260A220-G256 VanDerWaalsContact CB-O 3.26Å; A220-G256 WeakPolarHBondContact CB-O 3.23Å; V254-G256 PolarHBondContact O-N 3.18Å; V254-G256 VanDerWaalsContact O-N 3.13Å; G256-L259 WeakPolarHBondContact O-CB 3.48Å; G256-L259 PolarHBondContact O-N 2.92Å; G256-L260 PolarHBondContact O-N 3.09Å
257I96.2Very high90.1Very high0 Ų07.6 Ų7.60%04%0.043CC..Hα-helixtrans-72.8-40.1177.5-65.2157.9000109.7V254 L259 L260 I261 L310 M313 I317 I329V254-I257 PolarHBondContact O-N 3.39Å; I257-L259 VanDerWaalsContact C-N 3.28Å; I257-L259 PolarHBondContact O-N 3.33Å; I257-L260 PolarHBondContact O-N 3.26Å; I257-L260 VanDerWaalsContact O-N 3.1Å; I257-I261 HydrophobicContact CG2-CD1 3.9Å; I257-I261 WeakPolarHBondContact O-CG1 3.44Å; I257-I261 PolarHBondContact O-N 3.28Å; I257-L310 HydrophobicContact CD1-CB 3.81Å; I257-L310 HydrophobicContact CD1-CD2 3.35Å; I257-L310 HydrophobicContact CD1-CG 4.17Å; I257-M313 HydrophobicContact CD1-CB 3.81Å; I257-M313 HydrophobicContact CD1-CG 4.46Å; I257-M313 HydrophobicContact CD1-SD 3.85Å; I257-M313 HydrophobicContact CG2-CB 3.93Å; I257-I317 HydrophobicContact CG2-CD1 3.58Å; I257-I329 HydrophobicContact CB-CD1 4.4Å; I257-I329 HydrophobicContact CG2-CD1 3.81Å
258F95.8Very high90.2Very high0 Ų011.9 Ų11.90%06%0.063CC..Hα-helixtrans-57.3-41.5174.3-177.5-94.8000112F85 L131 V132 V254 L260 I261 R262 F326F85-F258 HydrophobicContact CB-CE2 3.89Å; F85-F258 HydrophobicContact CB-CZ 4.33Å; L131-F258 HydrophobicContact CD2-CD1 3.87Å; L131-F258 HydrophobicContact CD2-CE1 4.22Å; V132-F258 HydrophobicContact CB-CE1 4.29Å; V132-F258 HydrophobicContact CB-CZ 3.99Å; V132-F258 HydrophobicContact CG1-CE1 4.43Å; V132-F258 HydrophobicContact CG1-CE2 4.06Å; V132-F258 HydrophobicContact CG1-CZ 3.65Å; V132-F258 HydrophobicContact CG2-CE1 4.25Å; V132-F258 HydrophobicContact CG2-CE2 4.45Å; V132-F258 HydrophobicContact CG2-CZ 4.12Å; V132-F258 WeakPolarHBondContact O-CZ 3.45Å; V254-F258 WeakPolarHBondContact O-CB 3.34Å; V254-F258 PolarHBondContact O-N 2.99Å; F258-L260 PolarHBondContact O-N 3.26Å; F258-I261 WeakPolarHBondContact O-CB 3.38Å; F258-I261 PolarHBondContact O-N 3.4Å; F258-R262 HydrophobicContact CD1-CG 4.02Å; F258-R262 HydrophobicContact CE1-CG 3.7Å; F258-R262 VanDerWaalsContact CE1-NE 3.28Å; F258-R262 HydrophobicContact CZ-CG 4.17Å; F258-R262 VanDerWaalsContact O-CG 3.3Å; F258-R262 WeakPolarHBondContact O-CG 3.48Å; F258-R262 PolarHBondContact O-N 2.9Å; F258-F326 HydrophobicContact CD2-CD2 4.48Å; F258-F326 HydrophobicContact CD2-CE2 4.34Å; F258-F326 HydrophobicContact CE2-CE2 4.19Å
259L95.6Very high90.5Very high0 Ų016.2 Ų16.20%09%0.086CC..Hα-helixtrans-58.2-46.3173.4172.7163.3000111.8L140 W144 F182 L216 A219 A255 G256 I257 I261 R262 F263L140-L259 HydrophobicContact CD2-CD1 4.39Å; W144-L259 HydrophobicContact CE3-CD1 4.16Å; W144-L259 HydrophobicContact CH2-CD1 3.84Å; W144-L259 HydrophobicContact CZ3-CB 4.21Å; W144-L259 HydrophobicContact CZ3-CD1 3.57Å; F182-L259 HydrophobicContact CD2-CD1 3.47Å; F182-L259 VanDerWaalsContact CD2-CD1 3.47Å; F182-L259 HydrophobicContact CE2-CD1 3.34Å; L216-L259 HydrophobicContact CB-CD2 3.84Å; L216-L259 HydrophobicContact CD2-CD1 4.28Å; L216-L259 HydrophobicContact CD2-CD2 3.59Å; L216-L259 HydrophobicContact CD2-CG 4.2Å; L216-L259 HydrophobicContact CG-CD2 4.21Å; A219-L259 HydrophobicContact CB-CD1 4.43Å; A255-L259 WeakPolarHBondContact O-CB 3.49Å; A255-L259 PolarHBondContact O-N 3.38Å; G256-L259 WeakPolarHBondContact O-CB 3.48Å; G256-L259 PolarHBondContact O-N 2.92Å; I257-L259 VanDerWaalsContact C-N 3.28Å; I257-L259 PolarHBondContact O-N 3.33Å; L259-I261 VanDerWaalsContact C-N 3.33Å; L259-I261 PolarHBondContact O-N 3.02Å; L259-R262 WeakPolarHBondContact O-CB 3.31Å; L259-R262 PolarHBondContact O-N 3.07Å; L259-F263 HydrophobicContact CD2-CD2 4.29Å; L259-F263 HydrophobicContact CG-CD2 4.33Å; L259-F263 VanDerWaalsContact O-CD2 3.28Å; L259-F263 WeakPolarHBondContact O-CD2 3.36Å; L259-F263 PolarHBondContact O-N 2.97Å; L259-F263 VanDerWaalsContact O-N 3.16Å
260L95.3Very high91.1Very high11 Ų1116.8 Ų16.86%0.0589%0.09CC..Hα-helixtrans-65.9-36177.4-69.4175.3000112.6L216 A220 G256 I257 F258 R262 F263 H264 M314 I317L216-L260 HydrophobicContact CB-CD2 4.19Å; A220-L260 HydrophobicContact CB-CD1 3.47Å; A220-L260 VanDerWaalsContact CB-CD1 3.47Å; A220-L260 HydrophobicContact CB-CD2 4.31Å; A220-L260 HydrophobicContact CB-CG 3.69Å; G256-L260 PolarHBondContact O-N 3.09Å; I257-L260 PolarHBondContact O-N 3.26Å; I257-L260 VanDerWaalsContact O-N 3.1Å; F258-L260 PolarHBondContact O-N 3.26Å; L260-R262 VanDerWaalsContact C-N 3.33Å; L260-F263 CarbonylContact O-C 3.58Å; L260-F263 PolarHBondContact O-N 3.43Å; L260-H264 PolarHBondContact O-N 3.48Å; L260-M314 HydrophobicContact CD1-CE 3.51Å; L260-M314 HydrophobicContact CD1-SD 3.43Å; L260-M314 WeakPolarHBondContact CD1-SD 3.42Å; L260-I317 HydrophobicContact CB-CD1 3.87Å; L260-I317 HydrophobicContact CB-CG2 4.4Å; L260-I317 HydrophobicContact CD1-CD1 4.44Å
261I95Very high91.9Very high1 Ų121.3 Ų21.31%0.00512%0.119CC..Hα-helixtrans-61.7-42.2173.7-69.7161.9000110.6F85 I257 F258 L259 F263 H264 I317 P322 A325 F326 I329F85-I261 HydrophobicContact CD1-CG2 3.68Å; F85-I261 HydrophobicContact CD2-CG2 4.24Å; F85-I261 HydrophobicContact CE1-CG2 3.25Å; F85-I261 HydrophobicContact CE2-CG2 3.86Å; F85-I261 HydrophobicContact CG-CG2 4.16Å; F85-I261 HydrophobicContact CZ-CG2 3.36Å; I257-I261 HydrophobicContact CG2-CD1 3.9Å; I257-I261 WeakPolarHBondContact O-CG1 3.44Å; I257-I261 PolarHBondContact O-N 3.28Å; F258-I261 WeakPolarHBondContact O-CB 3.38Å; F258-I261 PolarHBondContact O-N 3.4Å; L259-I261 VanDerWaalsContact C-N 3.33Å; L259-I261 PolarHBondContact O-N 3.02Å; I261-F263 VanDerWaalsContact C-N 3.28Å; I261-F263 PolarHBondContact O-N 2.91Å; I261-H264 WeakPolarHBondContact O-CB 3.41Å; I261-H264 PolarHBondContact O-N 2.96Å; I261-I317 HydrophobicContact CG1-CD1 3.92Å; I261-I317 HydrophobicContact CG1-CG1 4.28Å; I261-P322 HydrophobicContact CG1-CB 4.36Å; I261-P322 HydrophobicContact CG2-CB 4.31Å; I261-A325 HydrophobicContact CD1-CB 4.05Å; I261-A325 HydrophobicContact CG1-CB 4.37Å; I261-F326 HydrophobicContact CD1-CB 4.07Å; I261-I329 HydrophobicContact CD1-CD1 3.58Å
262R92.7Very high92.3Very high26 Ų2625.5 Ų25.510%0.09814%0.141CC..Hα-helixtrans-62-35.1176.5-70.7-70.2-171.6-179.6-5.2112.9D83 V132 F258 L259 L260D83-R262 IonicContact OD1-CZ 3.18Å; D83-R262 VanDerWaalsContact OD1-CZ 3.25Å; D83-R262 IonicContact OD1-NH1 2.72Å; D83-R262 PolarHBondContact OD1-NH1 3.25Å; D83-R262 IonicContact OD1-NH2 2.89Å; D83-R262 PolarHBondContact OD1-NH2 3.39Å; D83-R262 IonicContact OD2-CZ 3.61Å; D83-R262 IonicContact OD2-NH1 2.55Å; D83-R262 PolarHBondContact OD2-NH1 3.47Å; V132-R262 PolarHBondContact O-NH2 3.45Å; F258-R262 HydrophobicContact CD1-CG 4.02Å; F258-R262 HydrophobicContact CE1-CG 3.7Å; F258-R262 VanDerWaalsContact CE1-NE 3.28Å; F258-R262 HydrophobicContact CZ-CG 4.17Å; F258-R262 VanDerWaalsContact O-CG 3.3Å; F258-R262 WeakPolarHBondContact O-CG 3.48Å; F258-R262 PolarHBondContact O-N 2.9Å; L259-R262 WeakPolarHBondContact O-CB 3.31Å; L259-R262 PolarHBondContact O-N 3.07Å; L260-R262 VanDerWaalsContact C-N 3.33Å
263F91.1Very high92.5Very high6 Ų625.8 Ų25.83%0.02614%0.143CC..THydrogen-bonded Turntrans-95.615.5178.4-72.7-71.4000113.7L137 F189 P198 M201 L216 L259 L260 I261 L266 A267L137-F263 HydrophobicContact CD1-CZ 4.08Å; L137-F263 HydrophobicContact CD2-CE1 4.42Å; L137-F263 HydrophobicContact CD2-CE2 3.57Å; L137-F263 HydrophobicContact CD2-CZ 3.25Å; L137-F263 HydrophobicContact CG-CZ 3.77Å; F189-F263 HydrophobicContact CE2-CE1 4.48Å; P198-F263 HydrophobicContact CB-CD1 4.45Å; P198-F263 HydrophobicContact CB-CE1 3.75Å; P198-F263 HydrophobicContact CB-CZ 4.14Å; M201-F263 HydrophobicContact SD-CE1 4.19Å; L216-F263 HydrophobicContact CD1-CB 3.99Å; L216-F263 HydrophobicContact CD1-CD1 4.24Å; L216-F263 HydrophobicContact CD1-CD2 3.88Å; L216-F263 HydrophobicContact CD1-CG 3.75Å; L216-F263 HydrophobicContact CD2-CD2 4.08Å; L216-F263 HydrophobicContact CD2-CE2 4.21Å; L259-F263 HydrophobicContact CD2-CD2 4.29Å; L259-F263 HydrophobicContact CG-CD2 4.33Å; L259-F263 VanDerWaalsContact O-CD2 3.28Å; L259-F263 WeakPolarHBondContact O-CD2 3.36Å; L259-F263 PolarHBondContact O-N 2.97Å; L259-F263 VanDerWaalsContact O-N 3.16Å; L260-F263 CarbonylContact O-C 3.58Å; L260-F263 PolarHBondContact O-N 3.43Å; I261-F263 VanDerWaalsContact C-N 3.28Å; I261-F263 PolarHBondContact O-N 2.91Å; F263-L266 HydrophobicContact CD1-CD1 3.72Å; F263-L266 HydrophobicContact CE1-CD1 4.36Å; F263-L266 PolarHBondContact O-N 3.01Å; F263-A267 PolarHBondContact O-N 2.99Å; F263-A267 VanDerWaalsContact O-N 3.12Å
264H90.1Very high92.4Very high25 Ų2527.6 Ų27.612%0.11615%0.151CC..Hα-helixtrans-53.5-43.2179.3164.3-94.5000113.9L260 I261 L266 A267 E268 N320 P322L260-H264 PolarHBondContact O-N 3.48Å; I261-H264 WeakPolarHBondContact O-CB 3.41Å; I261-H264 PolarHBondContact O-N 2.96Å; H264-L266 PolarHBondContact O-N 3.47Å; H264-L266 VanDerWaalsContact O-N 3.12Å; H264-A267 PolarHBondContact O-N 2.98Å; H264-E268 IonicContact CE1-OE2 3.32Å; H264-E268 PolarHBondContact CE1-OE2 3.22Å; H264-E268 VanDerWaalsContact CE1-OE2 3.32Å; H264-E268 IonicContact NE2-OE2 3.88Å; H264-E268 PolarHBondContact O-N 3.38Å; H264-N320 PolarHBondContact CD2-OD1 3.1Å; H264-N320 PolarHBondContact NE2-OD1 2.66Å; H264-P322 HydrophobicContact CB-CB 3.96Å; H264-P322 HydrophobicContact CB-CG 4.06Å; H264-P322 WeakPolarHBondContact CD2-CG 3.36Å; H264-P322 VanDerWaalsContact CG-CG 3.41Å
265P89.5Confident92.5Very high67 Ų6730.9 Ų30.944%0.43517%0.172SC..Hα-helixtrans-58.7-29178.6-26.835.6000113.9A202A202-P265 HydrophobicContact CB-CB 4.25Å
266L88.8Confident92.6Very high5 Ų534.3 Ų34.33%0.02619%0.189CC..Hα-helixtrans-80.4-36.2173.7-62.1177.7000111.6F189 M201 A202 N205 P208 L213 F263 H264 E268F189-L266 HydrophobicContact CE1-CD1 4.03Å; F189-L266 HydrophobicContact CZ-CD1 3.91Å; M201-L266 HydrophobicContact CB-CD1 4.48Å; A202-L266 HydrophobicContact CB-CD2 4.44Å; N205-L266 HydrophobicContact CB-CD2 4.38Å; P208-L266 HydrophobicContact CB-CD2 4.39Å; P208-L266 WeakPolarHBondContact CG-O 3.47Å; L213-L266 HydrophobicContact CD2-CB 3.98Å; F263-L266 HydrophobicContact CD1-CD1 3.72Å; F263-L266 HydrophobicContact CE1-CD1 4.36Å; F263-L266 PolarHBondContact O-N 3.01Å; H264-L266 PolarHBondContact O-N 3.47Å; H264-L266 VanDerWaalsContact O-N 3.12Å; L266-E268 VanDerWaalsContact C-N 3.34Å
267A88.6Confident92.7Very high12 Ų1234.4 Ų34.410%0.09919%0.19CC..Hα-helixtrans-71-30.4-179.900000112.7F263 H264 N269 S270 Q274F263-A267 PolarHBondContact O-N 2.99Å; F263-A267 VanDerWaalsContact O-N 3.12Å; H264-A267 PolarHBondContact O-N 2.98Å; A267-N269 VanDerWaalsContact C-N 3.3Å; A267-N269 PolarHBondContact O-N 2.97Å; A267-S270 PolarHBondContact O-N 3.44Å; A267-S270 VanDerWaalsContact O-N 3.17Å; A267-S270 PolarHBondContact O-OG 3.3Å; A267-Q274 PolarHBondContact O-NE2 3.31Å
268E88.9Confident92.7Very high91 Ų9134.9 Ų34.943%0.42519%0.192SC..Hα-helixtrans-57-39.4-178.1-178.4157.3-149.800113.1H264 L266 S270 Q274 N320H264-E268 IonicContact CE1-OE2 3.32Å; H264-E268 PolarHBondContact CE1-OE2 3.22Å; H264-E268 VanDerWaalsContact CE1-OE2 3.32Å; H264-E268 IonicContact NE2-OE2 3.88Å; H264-E268 PolarHBondContact O-N 3.38Å; L266-E268 VanDerWaalsContact C-N 3.34Å; E268-S270 PolarHBondContact O-N 2.62Å; E268-Q274 VanDerWaalsContact CA-NE2 3.32Å; E268-Q274 PolarHBondContact O-NE2 3.05Å; E268-N320 PolarHBondContact OE1-ND2 3.22Å
269N87Confident92.7Very high91 Ų9136.5 Ų36.549%0.48720%0.203SC..THydrogen-bonded Turntrans-78.8-1.6-176.5-64.1-11.4000113.7A206 P208 A267A206-N269 PolarHBondContact O-ND2 3.48Å; P208-N269 HydrophobicContact CG-CB 4.29Å; A267-N269 VanDerWaalsContact C-N 3.3Å; A267-N269 PolarHBondContact O-N 2.97Å
270S90.3Very high92.8Very high12 Ų1238.3 Ų38.38%0.08421%0.213CC..  trans-125.892-167.172.30000112.3L213 A267 E268 L272 I273 Q274L213-S270 WeakPolarHBondContact CD1-OG 3.19Å; A267-S270 PolarHBondContact O-N 3.44Å; A267-S270 VanDerWaalsContact O-N 3.17Å; A267-S270 PolarHBondContact O-OG 3.3Å; E268-S270 PolarHBondContact O-N 2.62Å; S270-L272 VanDerWaalsContact C-N 3.26Å; S270-L272 PolarHBondContact O-N 3.02Å; S270-I273 PolarHBondContact O-N 3.08Å; S270-I273 VanDerWaalsContact O-N 3.11Å; S270-I273 WeakPolarHBondContact OG-CB 3.31Å; S270-I273 WeakPolarHBondContact OG-CD1 3.18Å; S270-I273 WeakPolarHBondContact OG-CG1 3.35Å; S270-Q274 PolarHBondContact O-N 3.19Å
271P91.1Very high92.9Very high95 Ų9537.8 Ų37.862%0.61721%0.21SC*.Hα-helixtrans-65.7-28.5-17325.4-34.5000113I273 Q274 T275P271-I273 VanDerWaalsContact C-N 3.3Å; P271-I273 PolarHBondContact O-N 2.93Å; P271-Q274 PolarHBondContact O-N 3.33Å; P271-T275 WeakPolarHBondContact O-CG2 3.45Å; P271-T275 PolarHBondContact O-N 3.43Å; P271-T275 PolarHBondContact O-OG1 2.96Å
272L94.2Very high93Very high90 Ų9037.7 Ų37.747%0.47121%0.21SC..Hα-helixtrans-63.2-36.6176.3-17467000111.9L210 S270 T275 L276L210-L272 HydrophobicContact CD1-CD2 3.83Å; L210-L272 HydrophobicContact CD1-CG 4.47Å; L210-L272 HydrophobicContact CD2-CD2 3.7Å; L210-L272 HydrophobicContact CG-CD2 4.44Å; S270-L272 VanDerWaalsContact C-N 3.26Å; S270-L272 PolarHBondContact O-N 3.02Å; L272-T275 WeakPolarHBondContact CA-OG1 3.28Å; L272-T275 PolarHBondContact O-OG1 3.42Å; L272-L276 HydrophobicContact CG-CD1 4.22Å; L272-L276 WeakPolarHBondContact O-CB 3.35Å; L272-L276 VanDerWaalsContact O-CG 3.22Å; L272-L276 WeakPolarHBondContact O-CG 3.11Å; L272-L276 PolarHBondContact O-N 2.89Å
273I94.7Very high93.3Very high7 Ų739.2 Ų39.24%0.03622%0.219CC..Hα-helixtrans-74.8-42.8-179.1-68.661.3000108.8L210 L213 S270 P271 T275 L276 T277L210-I273 HydrophobicContact CD1-CD1 3.12Å; L210-I273 HydrophobicContact CD1-CG1 3.97Å; L213-I273 HydrophobicContact CB-CD1 4.4Å; L213-I273 HydrophobicContact CB-CG1 3.59Å; L213-I273 HydrophobicContact CB-CG2 4.4Å; L213-I273 HydrophobicContact CD1-CD1 4.13Å; L213-I273 HydrophobicContact CD1-CG1 3.85Å; L213-I273 HydrophobicContact CG-CG1 4.33Å; S270-I273 PolarHBondContact O-N 3.08Å; S270-I273 VanDerWaalsContact O-N 3.11Å; S270-I273 WeakPolarHBondContact OG-CB 3.31Å; S270-I273 WeakPolarHBondContact OG-CD1 3.18Å; S270-I273 WeakPolarHBondContact OG-CG1 3.35Å; P271-I273 VanDerWaalsContact C-N 3.3Å; P271-I273 PolarHBondContact O-N 2.93Å; I273-T275 VanDerWaalsContact C-N 3.32Å; I273-T275 PolarHBondContact O-N 3.31Å; I273-L276 PolarHBondContact O-N 3.31Å; I273-T277 HydrophobicContact CG2-CG2 4.1Å; I273-T277 WeakPolarHBondContact O-CB 3.43Å; I273-T277 VanDerWaalsContact O-CG2 3.27Å; I273-T277 WeakPolarHBondContact O-CG2 3.19Å; I273-T277 PolarHBondContact O-N 3.18Å; I273-T277 PolarHBondContact O-OG1 3.14Å
274Q94Very high93.6Very high39 Ų3939.1 Ų39.118%0.18222%0.219CC..Hα-helixtrans-56.9-45.8174.6-72175.210.500111.7A267 E268 S270 P271 T277 L278 G318A267-Q274 PolarHBondContact O-NE2 3.31Å; E268-Q274 VanDerWaalsContact CA-NE2 3.32Å; E268-Q274 PolarHBondContact O-NE2 3.05Å; S270-Q274 PolarHBondContact O-N 3.19Å; P271-Q274 PolarHBondContact O-N 3.33Å; Q274-T277 WeakPolarHBondContact CA-OG1 3.16Å; Q274-T277 PolarHBondContact O-N 2.92Å; Q274-T277 PolarHBondContact O-OG1 3.49Å; Q274-L278 WeakPolarHBondContact O-CB 3.47Å; Q274-L278 PolarHBondContact O-N 3.37Å; Q274-G318 WeakPolarHBondContact CB-O 3.19Å; Q274-G318 WeakPolarHBondContact O-CA 3.45Å
275T95.2Very high93.9Very high70 Ų7038 Ų3843%0.42921%0.214SC..Hα-helixtrans-67-40.7176.951.50000112.9P271 L272 I273 L278 C279P271-T275 WeakPolarHBondContact O-CG2 3.45Å; P271-T275 PolarHBondContact O-N 3.43Å; P271-T275 PolarHBondContact O-OG1 2.96Å; L272-T275 WeakPolarHBondContact CA-OG1 3.28Å; L272-T275 PolarHBondContact O-OG1 3.42Å; I273-T275 VanDerWaalsContact C-N 3.32Å; I273-T275 PolarHBondContact O-N 3.31Å; T275-L278 PolarHBondContact O-N 2.88Å; T275-C279 WeakPolarHBondContact O-CB 3.35Å; T275-C279 PolarHBondContact O-N 3.04Å; T275-C279 PolarHBondContact O-SG 3.09Å
276L96Very high94.3Very high72 Ų7237.1 Ų37.138%0.37721%0.205SC..Hα-helixtrans-64.7-44.2175.5-74.2172000112.2L214 L217 L272 I273 C279 L280L214-L276 HydrophobicContact CD2-CD1 3.81Å; L217-L276 HydrophobicContact CD1-CB 4.02Å; L272-L276 HydrophobicContact CG-CD1 4.22Å; L272-L276 WeakPolarHBondContact O-CB 3.35Å; L272-L276 VanDerWaalsContact O-CG 3.22Å; L272-L276 WeakPolarHBondContact O-CG 3.11Å; L272-L276 PolarHBondContact O-N 2.89Å; I273-L276 PolarHBondContact O-N 3.31Å; L276-C279 PolarHBondContact O-N 3.45Å; L276-L280 WeakPolarHBondContact O-CB 3.48Å; L276-L280 PolarHBondContact O-N 3.15Å
277T96.1Very high94.7Very high3 Ų338.5 Ų38.52%0.01821%0.211CC..Hα-helixtrans-63.4-44.2176.8520000111.3L217 I273 Q274 L280 G281 M314 G318L217-T277 HydrophobicContact CD1-CG2 3.52Å; L217-T277 HydrophobicContact CG-CG2 4.27Å; I273-T277 HydrophobicContact CG2-CG2 4.1Å; I273-T277 WeakPolarHBondContact O-CB 3.43Å; I273-T277 VanDerWaalsContact O-CG2 3.27Å; I273-T277 WeakPolarHBondContact O-CG2 3.19Å; I273-T277 PolarHBondContact O-N 3.18Å; I273-T277 PolarHBondContact O-OG1 3.14Å; Q274-T277 WeakPolarHBondContact CA-OG1 3.16Å; Q274-T277 PolarHBondContact O-N 2.92Å; Q274-T277 PolarHBondContact O-OG1 3.49Å; T277-L280 PolarHBondContact O-N 2.94Å; T277-G281 PolarHBondContact O-N 3.49Å; T277-M314 HydrophobicContact CG2-CE 3.53Å; T277-M314 HydrophobicContact CG2-SD 4.39Å; T277-M314 WeakPolarHBondContact O-CG 3.36Å; T277-G318 VanDerWaalsContact OG1-CA 3.29Å; T277-G318 WeakPolarHBondContact OG1-CA 3.02Å
278L96.6Very high95Very high10 Ų1038 Ų385%0.05221%0.207CC..Hα-helixtrans-57.5-52.7174.8-173.396.8000111.9Q274 T275 G281 A282 V315 I319 N405 A408Q274-L278 WeakPolarHBondContact O-CB 3.47Å; Q274-L278 PolarHBondContact O-N 3.37Å; T275-L278 PolarHBondContact O-N 2.88Å; L278-G281 PolarHBondContact O-N 2.83Å; L278-A282 WeakPolarHBondContact O-CB 3.25Å; L278-A282 PolarHBondContact O-N 3.05Å; L278-V315 HydrophobicContact CD1-CG1 3.89Å; L278-I319 HydrophobicContact CD1-CG2 3.41Å; L278-I319 VanDerWaalsContact CD1-CG2 3.41Å; L278-N405 HydrophobicContact CD2-CB 3.79Å; L278-A408 HydrophobicContact CD2-CB 3.53Å; L278-A408 HydrophobicContact CG-CB 3.89Å
279C96.9Very high95.4Very high34 Ų3433.7 Ų33.723%0.2319%0.187CC..Hα-helixtrans-63.9-44.1-178.5-730000111.7T275 L276 A282 I283T275-C279 WeakPolarHBondContact O-CB 3.35Å; T275-C279 PolarHBondContact O-N 3.04Å; T275-C279 PolarHBondContact O-SG 3.09Å; L276-C279 PolarHBondContact O-N 3.45Å; C279-A282 PolarHBondContact O-N 3.06Å; C279-I283 WeakPolarHBondContact O-CD1 3.38Å; C279-I283 VanDerWaalsContact O-CG1 3.23Å; C279-I283 WeakPolarHBondContact O-CG1 3.4Å; C279-I283 PolarHBondContact O-N 3.45Å; C279-I283 VanDerWaalsContact O-N 3.08Å
280L97.4Very high95.9Very high37 Ų3731.2 Ų31.219%0.19418%0.175CC..Hα-helixtrans-63-44.3178.6-179137.6000111.4L217 Q226 L276 T277 T284 M314L217-L280 HydrophobicContact CD2-CD1 4.19Å; Q226-L280 HydrophobicContact CB-CD2 3.51Å; Q226-L280 HydrophobicContact CB-CG 4.31Å; Q226-L280 HydrophobicContact CG-CD2 3.61Å; L276-L280 WeakPolarHBondContact O-CB 3.48Å; L276-L280 PolarHBondContact O-N 3.15Å; T277-L280 PolarHBondContact O-N 2.94Å; L280-T284 VanDerWaalsContact O-CG2 3.27Å; L280-T284 WeakPolarHBondContact O-CG2 3.42Å; L280-T284 PolarHBondContact O-N 3.33Å; L280-T284 PolarHBondContact O-OG1 2.96Å; L280-M314 HydrophobicContact CD2-CE 3.87Å; L280-M314 HydrophobicContact CD2-CG 4.13Å
281G97.3Very high96.2Very high0 Ų030.6 Ų30.60%017%0.171CC..Hα-helixtrans-63.6-42.7174.500000113.5T277 L278 I283 T284 T285 G311T277-G281 PolarHBondContact O-N 3.49Å; L278-G281 PolarHBondContact O-N 2.83Å; G281-I283 PolarHBondContact O-N 2.7Å; G281-T284 WeakPolarHBondContact CA-OG1 3.44Å; G281-T284 PolarHBondContact O-N 2.84Å; G281-T284 PolarHBondContact O-OG1 3.36Å; G281-T285 WeakPolarHBondContact O-CG2 3.35Å; G281-T285 PolarHBondContact O-N 3.03Å; G281-G311 WeakPolarHBondContact CA-O 3.46Å
282A97.5Very high96.4Very high0 Ų026.1 Ų26.10%014%0.142CC..Hα-helixtrans-62.6-44.5179.500000111.2L278 C279 T284 T285 L286 V315 A408 I411 T412L278-A282 WeakPolarHBondContact O-CB 3.25Å; L278-A282 PolarHBondContact O-N 3.05Å; C279-A282 PolarHBondContact O-N 3.06Å; A282-T284 VanDerWaalsContact C-N 3.31Å; A282-T284 PolarHBondContact O-N 2.58Å; A282-T285 PolarHBondContact O-N 3.43Å; A282-T285 PolarHBondContact O-OG1 3.07Å; A282-L286 PolarHBondContact O-N 3.04Å; A282-V315 HydrophobicContact CB-CG2 4.21Å; A282-A408 HydrophobicContact CB-CB 3.78Å; A282-I411 HydrophobicContact CB-CG2 4.31Å; A282-I411 VanDerWaalsContact O-CG2 3.23Å; A282-I411 WeakPolarHBondContact O-CG2 3.43Å; A282-T412 HydrophobicContact CB-CG2 4.01Å
283I97.2Very high96.5Very high58 Ų5824.1 Ų24.130%0.29713%0.131SC..Hα-helixtrans-65.1-37.7179.4-59.3160.4000111.2L227 C279 G281 F287 W407L227-I283 HydrophobicContact CD1-CG2 3.99Å; L227-I283 HydrophobicContact CD2-CB 4.42Å; L227-I283 HydrophobicContact CD2-CG2 3.51Å; L227-I283 HydrophobicContact CG-CG2 4.23Å; C279-I283 WeakPolarHBondContact O-CD1 3.38Å; C279-I283 VanDerWaalsContact O-CG1 3.23Å; C279-I283 WeakPolarHBondContact O-CG1 3.4Å; C279-I283 PolarHBondContact O-N 3.45Å; C279-I283 VanDerWaalsContact O-N 3.08Å; G281-I283 PolarHBondContact O-N 2.7Å; I283-F287 VanDerWaalsContact O-CB 3.27Å; I283-F287 WeakPolarHBondContact O-CB 3.2Å; I283-F287 PolarHBondContact O-N 3.13Å; I283-W407 HydrophobicContact CD1-CH2 3.78Å; I283-W407 HydrophobicContact CD1-CZ3 4.23Å; I283-W407 HydrophobicContact CG1-CH2 3.42Å; I283-W407 VanDerWaalsContact CG1-CH2 3.42Å; I283-W407 HydrophobicContact CG1-CZ2 4.47Å; I283-W407 HydrophobicContact CG1-CZ3 3.93Å
284T97.4Very high96.5Very high4 Ų424.6 Ų24.63%0.02513%0.134CC..Hα-helixtrans-68.1-42.6178.751.90000112.8Q226 L227 L280 G281 A282 L286 F287 A288 G311Q226-T284 HydrophobicContact CB-CG2 3.88Å; Q226-T284 VanDerWaalsContact OE1-CG2 3.23Å; Q226-T284 PolarHBondContact OE1-OG1 3.27Å; L227-T284 HydrophobicContact CB-CG2 3.54Å; L280-T284 VanDerWaalsContact O-CG2 3.27Å; L280-T284 WeakPolarHBondContact O-CG2 3.42Å; L280-T284 PolarHBondContact O-N 3.33Å; L280-T284 PolarHBondContact O-OG1 2.96Å; G281-T284 WeakPolarHBondContact CA-OG1 3.44Å; G281-T284 PolarHBondContact O-N 2.84Å; G281-T284 PolarHBondContact O-OG1 3.36Å; A282-T284 VanDerWaalsContact C-N 3.31Å; A282-T284 PolarHBondContact O-N 2.58Å; T284-L286 VanDerWaalsContact C-N 3.25Å; T284-L286 PolarHBondContact O-N 2.86Å; T284-F287 PolarHBondContact O-N 2.82Å; T284-A288 VanDerWaalsContact O-CB 3.28Å; T284-A288 WeakPolarHBondContact O-CB 3.43Å; T284-A288 PolarHBondContact O-N 3.04Å; T284-G311 WeakPolarHBondContact OG1-CA 3.28Å
285T97.1Very high96.6Very high2 Ų223.4 Ų23.41%0.01213%0.129CC..Hα-helixtrans-53.7-47.1177.5620000111.3G281 A282 A289 S308 L312G281-T285 WeakPolarHBondContact O-CG2 3.35Å; G281-T285 PolarHBondContact O-N 3.03Å; A282-T285 PolarHBondContact O-N 3.43Å; A282-T285 PolarHBondContact O-OG1 3.07Å; T285-A289 WeakPolarHBondContact O-CB 3.27Å; T285-A289 PolarHBondContact O-N 3.42Å; T285-A289 VanDerWaalsContact O-N 3.13Å; T285-S308 VanDerWaalsContact CG2-O 3.3Å; T285-S308 WeakPolarHBondContact CG2-O 3.26Å; T285-S308 PolarHBondContact O-OG 3.43Å; T285-S308 VanDerWaalsContact O-OG 3.06Å; T285-L312 HydrophobicContact CG2-CB 4.03Å
286L97.2Very high96.7Very high48 Ų4821.5 Ų21.525%0.25112%0.116SC..Hα-helixtrans-71.3-51.4-177.9-176.574.7000111.7A282 T284 A288 A289 V290 I411 I414 L418A282-L286 PolarHBondContact O-N 3.04Å; T284-L286 VanDerWaalsContact C-N 3.25Å; T284-L286 PolarHBondContact O-N 2.86Å; L286-A288 VanDerWaalsContact C-N 3.32Å; L286-A288 PolarHBondContact O-N 3.35Å; L286-A289 PolarHBondContact O-N 3.44Å; L286-V290 HydrophobicContact CD1-CG2 4.39Å; L286-V290 HydrophobicContact CG-CG2 4.38Å; L286-V290 WeakPolarHBondContact O-CG2 3.44Å; L286-V290 PolarHBondContact O-N 3.38Å; L286-I411 HydrophobicContact CB-CG2 3.51Å; L286-I411 HydrophobicContact CD1-CG2 4.29Å; L286-I411 HydrophobicContact CD2-CD1 4.43Å; L286-I411 HydrophobicContact CD2-CG1 4.45Å; L286-I411 HydrophobicContact CD2-CG2 3.88Å; L286-I411 HydrophobicContact CG-CG2 4.08Å; L286-I414 HydrophobicContact CD1-CB 4.3Å; L286-I414 HydrophobicContact CD1-CG2 3.77Å; L286-L418 HydrophobicContact CD1-CD1 4.36Å
287F97.2Very high96.7Very high34 Ų3420.1 Ų20.115%0.14911%0.109CC..Hα-helixtrans-58.4-46.5-176.8178.9-95000111.2L227 H230 I283 T284 V290 C291 F522L227-F287 HydrophobicContact CD1-CB 3.74Å; L227-F287 HydrophobicContact CD1-CD1 3.92Å; L227-F287 HydrophobicContact CD1-CD2 4.29Å; L227-F287 HydrophobicContact CD1-CG 3.7Å; H230-F287 AromaticContact CD2-CE1 3.56Å; H230-F287 AromaticContact CE1-CE1 3.77Å; H230-F287 AromaticContact NE2-CE1 3.21Å; H230-F287 WeakPolarHBondContact NE2-CE1 3.48Å; H230-F287 AromaticContact NE2-CZ 3.73Å; I283-F287 VanDerWaalsContact O-CB 3.27Å; I283-F287 WeakPolarHBondContact O-CB 3.2Å; I283-F287 PolarHBondContact O-N 3.13Å; T284-F287 PolarHBondContact O-N 2.82Å; F287-V290 PolarHBondContact O-N 3.21Å; F287-C291 PolarHBondContact O-N 2.87Å; F287-C291 VanDerWaalsContact O-N 3.07Å; F287-C291 PolarHBondContact O-SG 3.43Å; F287-F522 HydrophobicContact CE2-CZ 4.36Å
288A96.8Very high96.7Very high1 Ų120 Ų201%0.00811%0.108CC..Hα-helixtrans-64.8-42.1177.600000112T284 L286 C291 A292 F304T284-A288 VanDerWaalsContact O-CB 3.28Å; T284-A288 WeakPolarHBondContact O-CB 3.43Å; T284-A288 PolarHBondContact O-N 3.04Å; L286-A288 VanDerWaalsContact C-N 3.32Å; L286-A288 PolarHBondContact O-N 3.35Å; A288-C291 PolarHBondContact O-N 2.82Å; A288-A292 WeakPolarHBondContact O-CB 2.97Å; A288-A292 PolarHBondContact O-N 2.73Å; A288-F304 HydrophobicContact CB-CD1 4.26Å
289A96.9Very high96.7Very high0 Ų019.7 Ų19.70%011%0.106CC..Hα-helixtrans-65.8-39.817900000112.7T285 L286 A292 L293 L418 Y422T285-A289 WeakPolarHBondContact O-CB 3.27Å; T285-A289 PolarHBondContact O-N 3.42Å; T285-A289 VanDerWaalsContact O-N 3.13Å; L286-A289 PolarHBondContact O-N 3.44Å; A289-A292 PolarHBondContact O-N 2.96Å; A289-L293 PolarHBondContact O-N 3.24Å; A289-L418 HydrophobicContact CB-CB 3.72Å; A289-L418 HydrophobicContact CB-CD1 4.04Å; A289-Y422 HydrophobicContact CB-CE1 4.07Å
290V96.6Very high96.6Very high39 Ų3920.6 Ų20.624%0.23611%0.106CC..Hα-helixtrans-63.6-43.2175171.30000111L286 F287 A292 L293 L418 S523L286-V290 HydrophobicContact CD1-CG2 4.39Å; L286-V290 HydrophobicContact CG-CG2 4.38Å; L286-V290 WeakPolarHBondContact O-CG2 3.44Å; L286-V290 PolarHBondContact O-N 3.38Å; F287-V290 PolarHBondContact O-N 3.21Å; V290-A292 PolarHBondContact O-N 2.86Å; V290-L293 PolarHBondContact O-N 2.83Å; V290-L418 HydrophobicContact CG2-CD1 3.69Å; V290-S523 WeakPolarHBondContact O-CB 3.22Å
291C96.4Very high96.6Very high0 Ų018.9 Ų18.90%010%0.098CC..Hα-helixtrans-61.9-43175.6-66.70000111.4F287 A288 L293 T294 Q295 F304 L526F287-C291 PolarHBondContact O-N 2.87Å; F287-C291 VanDerWaalsContact O-N 3.07Å; F287-C291 PolarHBondContact O-SG 3.43Å; A288-C291 PolarHBondContact O-N 2.82Å; C291-L293 PolarHBondContact O-N 3.33Å; C291-L293 VanDerWaalsContact O-N 3.17Å; C291-T294 PolarHBondContact O-N 3.01Å; C291-Q295 WeakPolarHBondContact O-CG 3.37Å; C291-F304 HydrophobicContact CB-CD1 4.02Å; C291-F304 HydrophobicContact CB-CD2 4.38Å; C291-F304 HydrophobicContact CB-CE1 3.99Å; C291-F304 HydrophobicContact CB-CE2 4.36Å; C291-F304 HydrophobicContact CB-CG 4.24Å; C291-F304 HydrophobicContact CB-CZ 4.18Å; C291-L526 HydrophobicContact CB-CD2 3.84Å
292A96.5Very high96.6Very high1 Ų118.9 Ų18.91%0.00810%0.098CC..Hα-helixtrans-59.5-28.3-178.300000114.3A288 A289 V290 T294 F304 Y422A288-A292 WeakPolarHBondContact O-CB 2.97Å; A288-A292 PolarHBondContact O-N 2.73Å; A289-A292 PolarHBondContact O-N 2.96Å; V290-A292 PolarHBondContact O-N 2.86Å; A292-T294 VanDerWaalsContact C-N 3.32Å; A292-T294 PolarHBondContact O-N 3.25Å; A292-F304 HydrophobicContact CB-CB 3.73Å; A292-Y422 HydrophobicContact CB-CD1 3.64Å; A292-Y422 HydrophobicContact CB-CE1 4.1Å; A292-Y422 HydrophobicContact CB-CG 3.88Å
293L95.1Very high96.5Very high47 Ų4718.9 Ų18.925%0.24610%0.098CC..THydrogen-bonded Turntrans-63.1-33.4-175.8-71.6167.6000113.8A289 V290 C291 L418 A421 R425A289-L293 PolarHBondContact O-N 3.24Å; V290-L293 PolarHBondContact O-N 2.83Å; C291-L293 PolarHBondContact O-N 3.33Å; C291-L293 VanDerWaalsContact O-N 3.17Å; L293-L418 HydrophobicContact CD1-CD1 4.39Å; L293-L418 HydrophobicContact CD1-CD2 3.85Å; L293-L418 HydrophobicContact CD2-CD2 4.49Å; L293-A421 HydrophobicContact CD2-CB 3.97Å; L293-R425 WeakPolarHBondContact O-CD 3.5Å; L293-R425 PolarHBondContact O-NE 2.93Å; L293-R425 PolarHBondContact O-NH1 3.03Å
294T95.5Very high96.5Very high17 Ų1716.2 Ų16.210%0.1048%0.084CC..THydrogen-bonded Turntrans-111.6-8.5-171.754.90000113.9C291 A292 R425 F520 S523 N524C291-T294 PolarHBondContact O-N 3.01Å; A292-T294 VanDerWaalsContact C-N 3.32Å; A292-T294 PolarHBondContact O-N 3.25Å; T294-R425 PolarHBondContact O-NH2 2.69Å; T294-F520 HydrophobicContact CG2-CD2 3.72Å; T294-F520 HydrophobicContact CG2-CE2 3.87Å; T294-S523 WeakPolarHBondContact CG2-OG 3.43Å; T294-S523 VanDerWaalsContact OG1-C 3.26Å; T294-S523 WeakPolarHBondContact OG1-CB 3.45Å; T294-S523 PolarHBondContact OG1-OG 2.89Å; T294-N524 WeakPolarHBondContact OG1-CA 3.11Å; T294-N524 PolarHBondContact OG1-N 2.88Å
295Q96.4Very high96.5Very high15 Ų1516 Ų167%0.078%0.083CC..  trans-63.2149.5172.9-66.1-56.7-36.600111.7C291 I301 F304 R425 N524 L526C291-Q295 WeakPolarHBondContact O-CG 3.37Å; Q295-I301 HydrophobicContact CB-CG1 3.91Å; Q295-I301 WeakPolarHBondContact O-CD1 3.28Å; Q295-F304 HydrophobicContact CG-CD2 4.07Å; Q295-F304 HydrophobicContact CG-CE2 3.97Å; Q295-R425 PolarHBondContact O-NH2 2.66Å; Q295-N524 PolarHBondContact NE2-O 3.46Å; Q295-L526 VanDerWaalsContact NE2-CD2 3.31Å
296N96.3Very high96.4Very high29 Ų2916 Ų1616%0.1558%0.082CC..  trans-113.2-24.1-178.5-62.1-42.9000113.1I298 D355 I356 R425N296-I298 PolarHBondContact O-N 3.41Å; N296-D355 WeakPolarHBondContact CB-OD1 3.42Å; N296-I356 HydrophobicContact CB-CG1 4.44Å; N296-I356 WeakPolarHBondContact O-CG1 3.28Å; N296-I356 WeakPolarHBondContact O-CG2 3.49Å; N296-I356 PolarHBondContact O-N 3.41Å; N296-R425 PolarHBondContact OD1-NH2 2.94Å; N296-R425 VanDerWaalsContact OD1-NH2 3.13Å
297D96.6Very high96.4Very high43 Ų4314 Ų1423%0.237%0.073CC..BIsolated β-bridgetrans-74.4120175.9-59.3-29.2000109.4K299 K300 I301D297-K299 PolarHBondContact O-N 3.32Å; D297-K300 HydrophobicContact CB-CB 4.04Å; D297-K300 HydrophobicContact CB-CD 3.99Å; D297-K300 HydrophobicContact CB-CG 3.92Å; D297-K300 PolarHBondContact O-N 2.72Å; D297-K300 VanDerWaalsContact OD2-CD 3.32Å; D297-K300 WeakPolarHBondContact OD2-CD 2.98Å; D297-K300 VanDerWaalsContact OD2-CE 3.25Å; D297-K300 WeakPolarHBondContact OD2-CE 3.47Å; D297-K300 IonicContact OD2-NZ 3.32Å; D297-K300 PolarHBondContact OD2-NZ 3.03Å; D297-I301 WeakPolarHBondContact O-CG1 3.06Å; D297-I301 PolarHBondContact O-N 3.47Å
298I96.6Very high96.4Very high1 Ų112.5 Ų12.51%0.0057%0.066CC..Hα-helixtrans-57.1-38.7-175.9-164.4171.1000111.8N296 I301 V302 I347 Q354 I356 M359 M426 T430N296-I298 PolarHBondContact O-N 3.41Å; I298-I301 PolarHBondContact O-N 3.25Å; I298-V302 WeakPolarHBondContact O-CG2 3.36Å; I298-V302 PolarHBondContact O-N 3.47Å; I298-I347 HydrophobicContact CG2-CD1 3.86Å; I298-I347 HydrophobicContact CG2-CG1 4.15Å; I298-Q354 PolarHBondContact N-O 3.02Å; I298-I356 HydrophobicContact CB-CG2 3.95Å; I298-I356 HydrophobicContact CG1-CG2 4.32Å; I298-M359 HydrophobicContact CD1-SD 4.4Å; I298-M359 HydrophobicContact CG2-CE 4.26Å; I298-M426 HydrophobicContact CG1-CG 4.35Å; I298-M426 HydrophobicContact CG1-SD 4.45Å; I298-T430 HydrophobicContact CD1-CG2 3.98Å
299K96.3Very high96.4Very high3 Ų312.5 Ų12.51%0.0137%0.066CC..Hα-helixtrans-63.8-42.7176.7-67.7179.171.9-177.50111.9M237 G239 T241 D297 V302 A303 I347M237-K299 HydrophobicContact CB-CB 4.15Å; M237-K299 HydrophobicContact CG-CB 4.1Å; M237-K299 WeakPolarHBondContact O-CE 3.48Å; M237-K299 PolarHBondContact O-NZ 3.48Å; M237-K299 HydrophobicContact SD-CB 3.89Å; G239-K299 PolarHBondContact O-NZ 2.86Å; T241-K299 HydrophobicContact CG2-CD 3.95Å; D297-K299 PolarHBondContact O-N 3.32Å; K299-V302 PolarHBondContact O-N 3.38Å; K299-A303 VanDerWaalsContact O-CB 3.28Å; K299-A303 WeakPolarHBondContact O-CB 3.49Å; K299-A303 PolarHBondContact O-N 3.05Å; K299-I347 HydrophobicContact CD-CD1 3.91Å; K299-I347 HydrophobicContact CG-CD1 3.81Å
300K95.4Very high96.3Very high53 Ų5312.6 Ų12.623%0.237%0.067CC..Hα-helixtrans-67.1-37.4178.3-68.1-177.6-175.8150.70111.7M237 D297 A303 F304M237-K300 HydrophobicContact CB-CG 4.46Å; M237-K300 HydrophobicContact CG-CG 4.29Å; D297-K300 HydrophobicContact CB-CB 4.04Å; D297-K300 HydrophobicContact CB-CD 3.99Å; D297-K300 HydrophobicContact CB-CG 3.92Å; D297-K300 PolarHBondContact O-N 2.72Å; D297-K300 VanDerWaalsContact OD2-CD 3.32Å; D297-K300 WeakPolarHBondContact OD2-CD 2.98Å; D297-K300 VanDerWaalsContact OD2-CE 3.25Å; D297-K300 WeakPolarHBondContact OD2-CE 3.47Å; D297-K300 IonicContact OD2-NZ 3.32Å; D297-K300 PolarHBondContact OD2-NZ 3.03Å; K300-A303 WeakPolarHBondContact O-CB 3.4Å; K300-A303 PolarHBondContact O-N 3.01Å; K300-F304 WeakPolarHBondContact O-CD2 3.3Å; K300-F304 PolarHBondContact O-N 2.93Å
301I97.1Very high96.4Very high2 Ų210.7 Ų10.71%0.016%0.055CC..Hα-helixtrans-61.1-48.1174.2-60.7166.6000109.9Q295 D297 I298 A303 F304 S305 I356 Y422 M426Q295-I301 HydrophobicContact CB-CG1 3.91Å; Q295-I301 WeakPolarHBondContact O-CD1 3.28Å; D297-I301 WeakPolarHBondContact O-CG1 3.06Å; D297-I301 PolarHBondContact O-N 3.47Å; I298-I301 PolarHBondContact O-N 3.25Å; I301-A303 VanDerWaalsContact C-N 3.3Å; I301-A303 PolarHBondContact O-N 2.9Å; I301-F304 PolarHBondContact O-N 3.21Å; I301-S305 WeakPolarHBondContact O-CB 3.44Å; I301-S305 PolarHBondContact O-N 3.49Å; I301-I356 HydrophobicContact CD1-CD1 3.82Å; I301-I356 HydrophobicContact CD1-CG2 4.28Å; I301-Y422 HydrophobicContact CG2-CD2 4.45Å; I301-M426 HydrophobicContact CG2-CE 3.91Å
302V96.7Very high96.4Very high0 Ų011.3 Ų11.30%06%0.059CC..Hα-helixtrans-63.9-37.3177.1-177.10000110.8I298 K299 S305 T306 L339 F340 M426I298-V302 WeakPolarHBondContact O-CG2 3.36Å; I298-V302 PolarHBondContact O-N 3.47Å; K299-V302 PolarHBondContact O-N 3.38Å; V302-S305 VanDerWaalsContact C-OG 3.31Å; V302-S305 WeakPolarHBondContact CA-OG 3.39Å; V302-S305 WeakPolarHBondContact O-CB 3.23Å; V302-S305 PolarHBondContact O-N 2.93Å; V302-S305 PolarHBondContact O-OG 3.46Å; V302-T306 PolarHBondContact O-N 2.98Å; V302-L339 HydrophobicContact CG1-CB 4.13Å; V302-L339 HydrophobicContact CG2-CB 4.48Å; V302-F340 HydrophobicContact CB-CD1 4.42Å; V302-F340 HydrophobicContact CB-CE1 3.97Å; V302-F340 HydrophobicContact CB-CE2 4.43Å; V302-F340 HydrophobicContact CB-CZ 3.99Å; V302-F340 HydrophobicContact CG1-CD1 4.08Å; V302-F340 HydrophobicContact CG1-CD2 3.75Å; V302-F340 HydrophobicContact CG1-CE1 3.82Å; V302-F340 HydrophobicContact CG1-CE2 3.46Å; V302-F340 VanDerWaalsContact CG1-CE2 3.46Å; V302-F340 HydrophobicContact CG1-CG 4.05Å; V302-F340 HydrophobicContact CG1-CZ 3.51Å; V302-M426 HydrophobicContact CG2-CE 4.01Å; V302-M426 HydrophobicContact CG2-SD 4.44Å
303A95.6Very high96.4Very high0 Ų011.3 Ų11.30%06%0.058CC..Hα-helixtrans-64.1-47.6175.800000113.4L233 M237 K299 K300 I301 S305 T306 S307L233-A303 HydrophobicContact CD2-CB 3.62Å; L233-A303 WeakPolarHBondContact CD2-O 3.18Å; M237-A303 HydrophobicContact CE-CB 3.43Å; M237-A303 VanDerWaalsContact CE-CB 3.43Å; M237-A303 HydrophobicContact CG-CB 3.89Å; M237-A303 HydrophobicContact SD-CB 3.76Å; K299-A303 VanDerWaalsContact O-CB 3.28Å; K299-A303 WeakPolarHBondContact O-CB 3.49Å; K299-A303 PolarHBondContact O-N 3.05Å; K300-A303 WeakPolarHBondContact O-CB 3.4Å; K300-A303 PolarHBondContact O-N 3.01Å; I301-A303 VanDerWaalsContact C-N 3.3Å; I301-A303 PolarHBondContact O-N 2.9Å; A303-S305 PolarHBondContact O-N 3.31Å; A303-T306 PolarHBondContact O-N 3.2Å; A303-T306 PolarHBondContact O-OG1 3.48Å; A303-S307 PolarHBondContact O-N 3Å; A303-S307 VanDerWaalsContact O-N 3.1Å
304F96.7Very high96.5Very high2 Ų29 Ų91%0.0095%0.046CC..Hα-helixtrans-64.2-33174-77.9-63.4000112P234 A288 C291 A292 Q295 K300 I301 T306 S307 S308 L526P234-F304 HydrophobicContact CB-CE1 4.35Å; P234-F304 HydrophobicContact CB-CE2 4.01Å; P234-F304 HydrophobicContact CB-CZ 3.67Å; P234-F304 HydrophobicContact CG-CD1 4.17Å; P234-F304 HydrophobicContact CG-CE1 3.36Å; P234-F304 HydrophobicContact CG-CE2 3.89Å; P234-F304 HydrophobicContact CG-CZ 3.16Å; A288-F304 HydrophobicContact CB-CD1 4.26Å; C291-F304 HydrophobicContact CB-CD1 4.02Å; C291-F304 HydrophobicContact CB-CD2 4.38Å; C291-F304 HydrophobicContact CB-CE1 3.99Å; C291-F304 HydrophobicContact CB-CE2 4.36Å; C291-F304 HydrophobicContact CB-CG 4.24Å; C291-F304 HydrophobicContact CB-CZ 4.18Å; A292-F304 HydrophobicContact CB-CB 3.73Å; Q295-F304 HydrophobicContact CG-CD2 4.07Å; Q295-F304 HydrophobicContact CG-CE2 3.97Å; K300-F304 WeakPolarHBondContact O-CD2 3.3Å; K300-F304 PolarHBondContact O-N 2.93Å; I301-F304 PolarHBondContact O-N 3.21Å; F304-T306 VanDerWaalsContact C-N 3.25Å; F304-T306 PolarHBondContact O-N 3.14Å; F304-S307 PolarHBondContact O-N 2.88Å; F304-S308 WeakPolarHBondContact O-CB 3Å; F304-S308 PolarHBondContact O-N 3.43Å; F304-L526 HydrophobicContact CE1-CD2 4.06Å; F304-L526 HydrophobicContact CE2-CD2 3.54Å; F304-L526 HydrophobicContact CZ-CD1 3.85Å; F304-L526 HydrophobicContact CZ-CD2 3.16Å; F304-L526 HydrophobicContact CZ-CG 4.1Å
305S96.7Very high96.6Very high0 Ų08.5 Ų8.50%04%0.043CC..Hα-helixtrans-66.6-24.6173.581.40000113I301 V302 A303 Q309 K336 Y422I301-S305 WeakPolarHBondContact O-CB 3.44Å; I301-S305 PolarHBondContact O-N 3.49Å; V302-S305 VanDerWaalsContact C-OG 3.31Å; V302-S305 WeakPolarHBondContact CA-OG 3.39Å; V302-S305 WeakPolarHBondContact O-CB 3.23Å; V302-S305 PolarHBondContact O-N 2.93Å; V302-S305 PolarHBondContact O-OG 3.46Å; A303-S305 PolarHBondContact O-N 3.31Å; S305-Q309 VanDerWaalsContact O-CG 3.28Å; S305-Q309 WeakPolarHBondContact O-CG 3.32Å; S305-Q309 PolarHBondContact O-N 3.16Å; S305-K336 VanDerWaalsContact CB-NZ 3.33Å; S305-K336 PolarHBondContact O-NZ 2.97Å; S305-K336 PolarHBondContact OG-NZ 3.42Å; S305-Y422 VanDerWaalsContact CB-CE2 3.4Å; S305-Y422 WeakPolarHBondContact CB-OH 3.49Å
306T96.4Very high96.6Very high0 Ų07.8 Ų7.80%04%0.04CC..Hα-helixtrans-77.6-4717260.40000110.2H248 V302 A303 F304 S308 Q309 L310 K336 F340H248-T306 HydrophobicContact CB-CG2 4.24Å; H248-T306 WeakPolarHBondContact O-CG2 3.13Å; V302-T306 PolarHBondContact O-N 2.98Å; A303-T306 PolarHBondContact O-N 3.2Å; A303-T306 PolarHBondContact O-OG1 3.48Å; F304-T306 VanDerWaalsContact C-N 3.25Å; F304-T306 PolarHBondContact O-N 3.14Å; T306-S308 PolarHBondContact O-N 3.38Å; T306-Q309 PolarHBondContact O-N 3.1Å; T306-L310 WeakPolarHBondContact O-CD1 3.25Å; T306-L310 WeakPolarHBondContact O-CG 3.44Å; T306-L310 PolarHBondContact O-N 2.88Å; T306-K336 HydrophobicContact CG2-CD 3.66Å; T306-K336 HydrophobicContact CG2-CG 3.95Å; T306-F340 HydrophobicContact CG2-CE2 4.15Å
307S96Very high96.5Very high7 Ų76.7 Ų6.75%0.0493%0.034CC..Hα-helixtrans-53.2-40.6174.5176.30000112A303 F304 L310 G311A303-S307 PolarHBondContact O-N 3Å; A303-S307 VanDerWaalsContact O-N 3.1Å; F304-S307 PolarHBondContact O-N 2.88Å; S307-L310 PolarHBondContact O-N 3.12Å; S307-G311 PolarHBondContact O-N 3.49Å
308S97Very high96.5Very high3 Ų35 Ų52%0.0213%0.026CC..Hα-helixtrans-63.3-43175.3-1740000113T285 F304 T306 G311 L312T285-S308 VanDerWaalsContact CG2-O 3.3Å; T285-S308 WeakPolarHBondContact CG2-O 3.26Å; T285-S308 PolarHBondContact O-OG 3.43Å; T285-S308 VanDerWaalsContact O-OG 3.06Å; F304-S308 WeakPolarHBondContact O-CB 3Å; F304-S308 PolarHBondContact O-N 3.43Å; T306-S308 PolarHBondContact O-N 3.38Å; S308-G311 PolarHBondContact O-N 3.33Å; S308-L312 PolarHBondContact O-N 2.91Å; S308-L312 VanDerWaalsContact O-N 3.14Å
309Q97.3Very high96.3Very high1 Ų15.8 Ų5.81%0.0053%0.03CC..Hα-helixtrans-71.7-34177.9-62.6-61.3-19.400112.4S305 T306 G311 L312 M313 H328S305-Q309 VanDerWaalsContact O-CG 3.28Å; S305-Q309 WeakPolarHBondContact O-CG 3.32Å; S305-Q309 PolarHBondContact O-N 3.16Å; T306-Q309 PolarHBondContact O-N 3.1Å; Q309-G311 VanDerWaalsContact C-N 3.31Å; Q309-G311 PolarHBondContact O-N 3Å; Q309-L312 CarbonylContact O-C 3.52Å; Q309-L312 WeakPolarHBondContact O-CA 2.97Å; Q309-L312 WeakPolarHBondContact O-CB 3.38Å; Q309-L312 PolarHBondContact O-N 2.97Å; Q309-L312 VanDerWaalsContact O-N 3.08Å; Q309-M313 WeakPolarHBondContact O-CG 3.43Å; Q309-M313 PolarHBondContact O-N 2.97Å; Q309-H328 PolarHBondContact OE1-NE2 3.43Å
310L95.9Very high96.2Very high1 Ų17.5 Ų7.51%0.0054%0.04CC..Hα-helixtrans-66.8-34.8174.5-66.5158.7000111.6Q226 L233 V253 V254 I257 T306 S307 L312 M313 M314Q226-L310 PolarHBondContact NE2-O 3.4Å; L233-L310 HydrophobicContact CD1-CD1 4.46Å; V253-L310 HydrophobicContact CB-CD1 3.83Å; V253-L310 HydrophobicContact CG1-CD1 3.1Å; V253-L310 HydrophobicContact CG1-CD2 4.29Å; V253-L310 HydrophobicContact CG1-CG 4.3Å; V254-L310 HydrophobicContact CG2-CD2 4.18Å; I257-L310 HydrophobicContact CD1-CB 3.81Å; I257-L310 HydrophobicContact CD1-CD2 3.35Å; I257-L310 HydrophobicContact CD1-CG 4.17Å; T306-L310 WeakPolarHBondContact O-CD1 3.25Å; T306-L310 WeakPolarHBondContact O-CG 3.44Å; T306-L310 PolarHBondContact O-N 2.88Å; S307-L310 PolarHBondContact O-N 3.12Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L310-M313 HydrophobicContact CD2-SD 3.93Å; L310-M313 PolarHBondContact O-N 3.32Å; L310-M314 PolarHBondContact O-N 3.13Å
311G97.2Very high96.1Very high0 Ų06.9 Ų6.90%04%0.038CC..Hα-helixtrans-62.9-3916800000112.1G281 T284 S307 S308 Q309 M314 V315G281-G311 WeakPolarHBondContact CA-O 3.46Å; T284-G311 WeakPolarHBondContact OG1-CA 3.28Å; S307-G311 PolarHBondContact O-N 3.49Å; S308-G311 PolarHBondContact O-N 3.33Å; Q309-G311 VanDerWaalsContact C-N 3.31Å; Q309-G311 PolarHBondContact O-N 3Å; G311-M314 WeakPolarHBondContact O-CB 3.18Å; G311-M314 PolarHBondContact O-N 2.77Å; G311-M314 VanDerWaalsContact O-N 3.1Å; G311-V315 WeakPolarHBondContact O-CG2 3.43Å; G311-V315 PolarHBondContact O-N 3.03Å
312L97.1Very high96Very high13 Ų136.9 Ų6.97%0.0684%0.038CC..Hα-helixtrans-66.6-39176.9179.1146.2000111T285 S308 Q309 L310 M314 V315 T316 K392 I395 T416T285-L312 HydrophobicContact CG2-CB 4.03Å; S308-L312 PolarHBondContact O-N 2.91Å; S308-L312 VanDerWaalsContact O-N 3.14Å; Q309-L312 CarbonylContact O-C 3.52Å; Q309-L312 WeakPolarHBondContact O-CA 2.97Å; Q309-L312 WeakPolarHBondContact O-CB 3.38Å; Q309-L312 PolarHBondContact O-N 2.97Å; Q309-L312 VanDerWaalsContact O-N 3.08Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L312-M314 VanDerWaalsContact C-N 3.3Å; L312-M314 PolarHBondContact O-N 3.31Å; L312-V315 WeakPolarHBondContact O-CB 3.31Å; L312-V315 PolarHBondContact O-N 3.48Å; L312-T316 WeakPolarHBondContact O-CG2 3.31Å; L312-T316 PolarHBondContact O-N 2.71Å; L312-K392 HydrophobicContact CD1-CG 4.27Å; L312-I395 HydrophobicContact CD2-CB 4.48Å; L312-I395 HydrophobicContact CD2-CD1 3.65Å; L312-I395 HydrophobicContact CD2-CG2 3.83Å; L312-I395 HydrophobicContact CG-CG2 4.1Å; L312-T416 HydrophobicContact CD1-CG2 4.29Å
313M97.4Very high95.8Very high0 Ų09.5 Ų9.50%05%0.05CC..Hα-helixtrans-62.1-36.9170.2-63.6169.2-170.300112I257 Q309 L310 T316 I317 H328 I329 H332I257-M313 HydrophobicContact CD1-CB 3.81Å; I257-M313 HydrophobicContact CD1-CG 4.46Å; I257-M313 HydrophobicContact CD1-SD 3.85Å; I257-M313 HydrophobicContact CG2-CB 3.93Å; Q309-M313 WeakPolarHBondContact O-CG 3.43Å; Q309-M313 PolarHBondContact O-N 2.97Å; L310-M313 HydrophobicContact CD2-SD 3.93Å; L310-M313 PolarHBondContact O-N 3.32Å; M313-T316 VanDerWaalsContact C-OG1 3.24Å; M313-T316 VanDerWaalsContact CA-OG1 3.29Å; M313-T316 WeakPolarHBondContact CA-OG1 3.2Å; M313-T316 PolarHBondContact O-N 3.45Å; M313-T316 PolarHBondContact O-OG1 2.98Å; M313-I317 WeakPolarHBondContact O-CG1 3.1Å; M313-I317 PolarHBondContact O-N 3.27Å; M313-H328 WeakPolarHBondContact CE-CD2 3.24Å; M313-H328 HydrophobicContact CG-CB 4.48Å; M313-I329 HydrophobicContact CE-CG1 4.01Å; M313-I329 HydrophobicContact CG-CG1 4.49Å; M313-I329 HydrophobicContact SD-CD1 4.42Å; M313-I329 HydrophobicContact SD-CG1 3.48Å; M313-I329 WeakPolarHBondContact SD-CG1 3.38Å; M313-H332 HydrophobicContact CE-CB 3.64Å
314M96.9Very high95.8Very high0 Ų09.7 Ų9.70%05%0.051CC..Hα-helixtrans-67.4-38.7175.9-168.664.9165.200111.9L217 L260 T277 L280 L310 G311 L312 T316 I317 G318L217-M314 HydrophobicContact CG-CE 4.19Å; L260-M314 HydrophobicContact CD1-CE 3.51Å; L260-M314 HydrophobicContact CD1-SD 3.43Å; L260-M314 WeakPolarHBondContact CD1-SD 3.42Å; T277-M314 HydrophobicContact CG2-CE 3.53Å; T277-M314 HydrophobicContact CG2-SD 4.39Å; T277-M314 WeakPolarHBondContact O-CG 3.36Å; L280-M314 HydrophobicContact CD2-CE 3.87Å; L280-M314 HydrophobicContact CD2-CG 4.13Å; L310-M314 PolarHBondContact O-N 3.13Å; G311-M314 WeakPolarHBondContact O-CB 3.18Å; G311-M314 PolarHBondContact O-N 2.77Å; G311-M314 VanDerWaalsContact O-N 3.1Å; L312-M314 VanDerWaalsContact C-N 3.3Å; L312-M314 PolarHBondContact O-N 3.31Å; M314-T316 VanDerWaalsContact C-N 3.3Å; M314-T316 PolarHBondContact O-N 3.4Å; M314-I317 PolarHBondContact O-N 2.93Å; M314-G318 PolarHBondContact O-N 3.13Å; M314-G318 VanDerWaalsContact O-N 3.08Å
315V97.1Very high95.7Very high5 Ų59.6 Ų9.63%0.035%0.05CC..Hα-helixtrans-59.8-41.4171.7171.90000110.9L278 A282 G311 L312 I317 G318 I319 T412L278-V315 HydrophobicContact CD1-CG1 3.89Å; A282-V315 HydrophobicContact CB-CG2 4.21Å; G311-V315 WeakPolarHBondContact O-CG2 3.43Å; G311-V315 PolarHBondContact O-N 3.03Å; L312-V315 WeakPolarHBondContact O-CB 3.31Å; L312-V315 PolarHBondContact O-N 3.48Å; V315-I317 VanDerWaalsContact C-N 3.3Å; V315-I317 PolarHBondContact O-N 2.92Å; V315-G318 CarbonylContact O-C 3.49Å; V315-G318 WeakPolarHBondContact O-CA 3.35Å; V315-G318 PolarHBondContact O-N 3.5Å; V315-I319 PolarHBondContact O-N 2.82Å; V315-T412 HydrophobicContact CB-CG2 4.42Å; V315-T412 HydrophobicContact CG1-CG2 4.05Å; V315-T412 HydrophobicContact CG2-CG2 3.74Å
316T96Very high95.7Very high0 Ų09.6 Ų9.60%05%0.051CC..Hα-helixtrans-64.9-32.8179.651.50000114.1L312 M313 M314 I319 Q321 A325 I395L312-T316 WeakPolarHBondContact O-CG2 3.31Å; L312-T316 PolarHBondContact O-N 2.71Å; M313-T316 VanDerWaalsContact C-OG1 3.24Å; M313-T316 VanDerWaalsContact CA-OG1 3.29Å; M313-T316 WeakPolarHBondContact CA-OG1 3.2Å; M313-T316 PolarHBondContact O-N 3.45Å; M313-T316 PolarHBondContact O-OG1 2.98Å; M314-T316 VanDerWaalsContact C-N 3.3Å; M314-T316 PolarHBondContact O-N 3.4Å; T316-I319 WeakPolarHBondContact O-CG1 3.48Å; T316-Q321 CarbonylContact O-C 3.41Å; T316-Q321 PolarHBondContact O-N 3.32Å; T316-A325 WeakPolarHBondContact OG1-CA 3.29Å; T316-A325 WeakPolarHBondContact OG1-CB 3.48Å; T316-I395 HydrophobicContact CG2-CB 3.8Å; T316-I395 HydrophobicContact CG2-CD1 3.63Å; T316-I395 HydrophobicContact CG2-CG1 3.38Å; T316-I395 HydrophobicContact CG2-CG2 3.18Å
317I95.4Very high95.6Very high7 Ų710.4 Ų10.44%0.0366%0.055CC..Hα-helixtrans-69.8-39172.4-64.6169.6000109.7I257 L260 I261 M313 M314 V315 I319 N320 A325I257-I317 HydrophobicContact CG2-CD1 3.58Å; L260-I317 HydrophobicContact CB-CD1 3.87Å; L260-I317 HydrophobicContact CB-CG2 4.4Å; L260-I317 HydrophobicContact CD1-CD1 4.44Å; I261-I317 HydrophobicContact CG1-CD1 3.92Å; I261-I317 HydrophobicContact CG1-CG1 4.28Å; M313-I317 WeakPolarHBondContact O-CG1 3.1Å; M313-I317 PolarHBondContact O-N 3.27Å; M314-I317 PolarHBondContact O-N 2.93Å; V315-I317 VanDerWaalsContact C-N 3.3Å; V315-I317 PolarHBondContact O-N 2.92Å; I317-I319 VanDerWaalsContact C-N 3.29Å; I317-I319 PolarHBondContact O-N 3.46Å; I317-N320 PolarHBondContact O-N 3.09Å; I317-A325 HydrophobicContact CG1-CB 3.92Å
318G94.9Very high95.6Very high7 Ų710.1 Ų10.17%0.0725%0.053CC..Hα-helixtrans-64.4-25.617700000115.1Q274 T277 M314 V315 N320Q274-G318 WeakPolarHBondContact CB-O 3.19Å; Q274-G318 WeakPolarHBondContact O-CA 3.45Å; T277-G318 VanDerWaalsContact OG1-CA 3.29Å; T277-G318 WeakPolarHBondContact OG1-CA 3.02Å; M314-G318 PolarHBondContact O-N 3.13Å; M314-G318 VanDerWaalsContact O-N 3.08Å; V315-G318 CarbonylContact O-C 3.49Å; V315-G318 WeakPolarHBondContact O-CA 3.35Å; V315-G318 PolarHBondContact O-N 3.5Å; G318-N320 VanDerWaalsContact C-N 3.3Å
319I94.1Very high95.5Very high17 Ų1710 Ų109%0.0875%0.052CC..THydrogen-bonded Turntrans-90.712.917265.9179.3000113.3L278 V315 T316 I317 Q321 A399 T404L278-I319 HydrophobicContact CD1-CG2 3.41Å; L278-I319 VanDerWaalsContact CD1-CG2 3.41Å; V315-I319 PolarHBondContact O-N 2.82Å; T316-I319 WeakPolarHBondContact O-CG1 3.48Å; I317-I319 VanDerWaalsContact C-N 3.29Å; I317-I319 PolarHBondContact O-N 3.46Å; I319-Q321 HydrophobicContact CD1-CB 4.49Å; I319-Q321 HydrophobicContact CD1-CG 4.39Å; I319-Q321 HydrophobicContact CG1-CB 4.19Å; I319-Q321 HydrophobicContact CG1-CG 4.17Å; I319-Q321 PolarHBondContact O-N 3.11Å; I319-A399 HydrophobicContact CD1-CB 4.2Å; I319-T404 HydrophobicContact CB-CG2 4.36Å; I319-T404 HydrophobicContact CG2-CG2 3.44Å; I319-T404 VanDerWaalsContact CG2-CG2 3.44Å
320N93.4Very high95.5Very high39 Ų3910 Ų1021%0.2095%0.052CC..THydrogen-bonded Turntrans63.735.9179.9-159.233.5000114.4H264 E268 I317 G318 P322H264-N320 PolarHBondContact CD2-OD1 3.1Å; H264-N320 PolarHBondContact NE2-OD1 2.66Å; E268-N320 PolarHBondContact OE1-ND2 3.22Å; I317-N320 PolarHBondContact O-N 3.09Å; G318-N320 VanDerWaalsContact C-N 3.3Å; N320-P322 WeakPolarHBondContact O-CD 3.34Å
321Q93.8Very high95.4Very high40 Ų409.9 Ų9.919%0.1875%0.051CC..  trans-122.568.8177-65.5-62.6-33.300112.3T316 I319 H323 L324 A325 S476T316-Q321 CarbonylContact O-C 3.41Å; T316-Q321 PolarHBondContact O-N 3.32Å; I319-Q321 HydrophobicContact CD1-CB 4.49Å; I319-Q321 HydrophobicContact CD1-CG 4.39Å; I319-Q321 HydrophobicContact CG1-CB 4.19Å; I319-Q321 HydrophobicContact CG1-CG 4.17Å; I319-Q321 PolarHBondContact O-N 3.11Å; Q321-H323 PolarHBondContact O-N 3.17Å; Q321-L324 HydrophobicContact CB-CB 4.24Å; Q321-L324 HydrophobicContact CB-CD1 4.07Å; Q321-L324 HydrophobicContact CB-CG 4.46Å; Q321-L324 HydrophobicContact CG-CD1 4.33Å; Q321-L324 PolarHBondContact O-N 2.83Å; Q321-A325 PolarHBondContact O-N 3.26Å; Q321-S476 PolarHBondContact OE1-OG 2.76Å
322P93.9Very high95.4Very high3 Ų39.9 Ų9.92%0.0195%0.051CC..Hα-helixtrans-67.4-32.7-175.933-42.4000113.4I261 H264 N320 L324 A325 F326I261-P322 HydrophobicContact CG1-CB 4.36Å; I261-P322 HydrophobicContact CG2-CB 4.31Å; H264-P322 HydrophobicContact CB-CB 3.96Å; H264-P322 HydrophobicContact CB-CG 4.06Å; H264-P322 WeakPolarHBondContact CD2-CG 3.36Å; H264-P322 VanDerWaalsContact CG-CG 3.41Å; N320-P322 WeakPolarHBondContact O-CD 3.34Å; P322-L324 VanDerWaalsContact C-N 3.34Å; P322-L324 PolarHBondContact O-N 3.01Å; P322-A325 WeakPolarHBondContact O-CB 3.31Å; P322-A325 PolarHBondContact O-N 2.89Å; P322-F326 WeakPolarHBondContact O-CB 3.32Å; P322-F326 PolarHBondContact O-N 2.9Å
323H93.9Very high95.3Very high54 Ų549.6 Ų9.625%0.255%0.051CC..Hα-helixtrans-67.2-37-179.9-65.191.8000111.3Y84 F85 Q321 F326 L327 A475Y84-H323 AromaticContact CD1-CD2 3.99Å; Y84-H323 AromaticContact CE1-CD2 3.87Å; F85-H323 AromaticContact CZ-NE2 3.98Å; Q321-H323 PolarHBondContact O-N 3.17Å; H323-F326 PolarHBondContact O-N 3.36Å; H323-L327 WeakPolarHBondContact O-CB 3.25Å; H323-L327 PolarHBondContact O-N 3.27Å; H323-A475 HydrophobicContact CB-CB 4.37Å; H323-A475 VanDerWaalsContact CD2-CB 3.48Å; H323-A475 WeakPolarHBondContact CD2-CB 3.22Å
324L94.1Very high95.2Very high4 Ų410.4 Ų10.42%0.0215%0.054CC..Hα-helixtrans-68.1-40.8172.2-75178.2000111.8Q321 P322 F326 L327 H328 H394 I395 T398 F478Q321-L324 HydrophobicContact CB-CB 4.24Å; Q321-L324 HydrophobicContact CB-CD1 4.07Å; Q321-L324 HydrophobicContact CB-CG 4.46Å; Q321-L324 HydrophobicContact CG-CD1 4.33Å; Q321-L324 PolarHBondContact O-N 2.83Å; P322-L324 VanDerWaalsContact C-N 3.34Å; P322-L324 PolarHBondContact O-N 3.01Å; L324-F326 VanDerWaalsContact C-N 3.29Å; L324-F326 PolarHBondContact O-N 2.64Å; L324-L327 PolarHBondContact O-N 3.4Å; L324-H328 PolarHBondContact O-N 3.26Å; L324-H394 HydrophobicContact CD1-CB 4.5Å; L324-H394 HydrophobicContact CD2-CB 4.09Å; L324-I395 HydrophobicContact CB-CG1 4.27Å; L324-T398 HydrophobicContact CD1-CG2 3.78Å; L324-F478 HydrophobicContact CD1-CE1 4.49Å; L324-F478 HydrophobicContact CD2-CE1 4.05Å; L324-F478 HydrophobicContact CD2-CZ 4.48Å; L324-F478 HydrophobicContact CG-CE1 4.49Å
325A95.8Very high95.1Very high0 Ų010.4 Ų10.40%05%0.054CC..Hα-helixtrans-56.5-46.5173.200000111I261 T316 I317 Q321 P322 H328 I329I261-A325 HydrophobicContact CD1-CB 4.05Å; I261-A325 HydrophobicContact CG1-CB 4.37Å; T316-A325 WeakPolarHBondContact OG1-CA 3.29Å; T316-A325 WeakPolarHBondContact OG1-CB 3.48Å; I317-A325 HydrophobicContact CG1-CB 3.92Å; Q321-A325 PolarHBondContact O-N 3.26Å; P322-A325 WeakPolarHBondContact O-CB 3.31Å; P322-A325 PolarHBondContact O-N 2.89Å; A325-H328 PolarHBondContact O-N 3.21Å; A325-I329 WeakPolarHBondContact O-CG1 3.49Å; A325-I329 PolarHBondContact O-N 3.5Å
326F95.4Very high95.1Very high1 Ų110.2 Ų10.20%0.0045%0.053CC..Hα-helixtrans-66-42.5177.9-178.3-99.8000113Y84 F85 M88 F89 F258 I261 P322 H323 L324 H328 I329 C330Y84-F326 HydrophobicContact CD1-CD1 4.27Å; Y84-F326 HydrophobicContact CD1-CE1 4.4Å; Y84-F326 AromaticContact CE1-CD1 3.46Å; Y84-F326 HydrophobicContact CE1-CD1 3.46Å; Y84-F326 VanDerWaalsContact CE1-CD1 3.46Å; Y84-F326 AromaticContact CE1-CE1 3.83Å; Y84-F326 HydrophobicContact CE1-CE1 3.83Å; Y84-F326 HydrophobicContact CE1-CG 4.35Å; F85-F326 HydrophobicContact CB-CD2 4.41Å; F85-F326 HydrophobicContact CB-CE2 4.06Å; F85-F326 HydrophobicContact CB-CZ 4.32Å; F85-F326 HydrophobicContact CD1-CB 4.02Å; F85-F326 AromaticContact CD1-CD1 3.91Å; F85-F326 HydrophobicContact CD1-CD1 3.91Å; F85-F326 AromaticContact CD1-CD2 3.65Å; F85-F326 HydrophobicContact CD1-CD2 3.65Å; F85-F326 HydrophobicContact CD1-CE1 4.3Å; F85-F326 HydrophobicContact CD1-CE2 4.07Å; F85-F326 AromaticContact CD1-CG 3.55Å; F85-F326 HydrophobicContact CD1-CG 3.55Å; F85-F326 HydrophobicContact CD1-CZ 4.38Å; F85-F326 HydrophobicContact CE1-CB 4Å; F85-F326 HydrophobicContact CE1-CD1 4.44Å; F85-F326 HydrophobicContact CE1-CD2 4.45Å; F85-F326 HydrophobicContact CE1-CG 4.04Å; F85-F326 HydrophobicContact CG-CD2 4.46Å; F85-F326 WeakPolarHBondContact O-CE2 3.29Å; F85-F326 WeakPolarHBondContact O-CZ 3.45Å; M88-F326 HydrophobicContact CB-CE1 3.51Å; M88-F326 HydrophobicContact CB-CZ 3.73Å; M88-F326 HydrophobicContact CG-CE1 4.11Å; F89-F326 HydrophobicContact CB-CE2 4.04Å; F89-F326 HydrophobicContact CB-CZ 3.92Å; F89-F326 HydrophobicContact CD2-CE2 4.45Å; F258-F326 HydrophobicContact CD2-CD2 4.48Å; F258-F326 HydrophobicContact CD2-CE2 4.34Å; F258-F326 HydrophobicContact CE2-CE2 4.19Å; I261-F326 HydrophobicContact CD1-CB 4.07Å; P322-F326 WeakPolarHBondContact O-CB 3.32Å; P322-F326 PolarHBondContact O-N 2.9Å; H323-F326 PolarHBondContact O-N 3.36Å; L324-F326 VanDerWaalsContact C-N 3.29Å; L324-F326 PolarHBondContact O-N 2.64Å; F326-H328 VanDerWaalsContact C-N 3.25Å; F326-H328 PolarHBondContact O-N 2.59Å; F326-I329 VanDerWaalsContact O-CB 3.3Å; F326-I329 WeakPolarHBondContact O-CB 3.29Å; F326-I329 PolarHBondContact O-N 2.88Å; F326-I329 VanDerWaalsContact O-N 3.09Å; F326-C330 PolarHBondContact O-N 3.04Å
327L94.6Very high95.1Very high16 Ų1610.2 Ų10.28%0.0845%0.053CC..Hα-helixtrans-60.2-39.7174.8-176.5148.1000110.8H323 L324 C330 T331 T469 I472H323-L327 WeakPolarHBondContact O-CB 3.25Å; H323-L327 PolarHBondContact O-N 3.27Å; L324-L327 PolarHBondContact O-N 3.4Å; L327-C330 PolarHBondContact O-N 3.42Å; L327-T331 HydrophobicContact CD2-CG2 4.48Å; L327-T331 WeakPolarHBondContact O-CG2 3.4Å; L327-T331 PolarHBondContact O-N 2.91Å; L327-T331 PolarHBondContact O-OG1 3.14Å; L327-T469 HydrophobicContact CD1-CG2 3.79Å; L327-T469 HydrophobicContact CD2-CG2 4.34Å; L327-T469 HydrophobicContact CG-CG2 4.48Å; L327-I472 HydrophobicContact CD1-CD1 3.79Å
328H96.1Very high95.1Very high1 Ų19.9 Ų9.91%0.0055%0.051CC..Hα-helixtrans-66.4-36.4173.5-166.461.6000112.7Q309 M313 L324 A325 F326 C330 T331 H332 S391 I395Q309-H328 PolarHBondContact OE1-NE2 3.43Å; M313-H328 WeakPolarHBondContact CE-CD2 3.24Å; M313-H328 HydrophobicContact CG-CB 4.48Å; L324-H328 PolarHBondContact O-N 3.26Å; A325-H328 PolarHBondContact O-N 3.21Å; F326-H328 VanDerWaalsContact C-N 3.25Å; F326-H328 PolarHBondContact O-N 2.59Å; H328-C330 VanDerWaalsContact C-N 3.32Å; H328-C330 PolarHBondContact O-N 3.28Å; H328-T331 PolarHBondContact O-N 3.45Å; H328-T331 PolarHBondContact O-OG1 3.08Å; H328-H332 WeakPolarHBondContact O-CB 3.3Å; H328-H332 PolarHBondContact O-N 3.4Å; H328-S391 WeakPolarHBondContact ND1-CB 3.41Å; H328-S391 PolarHBondContact ND1-OG 3.06Å; H328-I395 HydrophobicContact CB-CD1 3.76Å
329I96.1Very high95.2Very high0 Ų09.5 Ų9.50%05%0.048CC..Hα-helixtrans-56-48.3171.6-73.9165.6000110.6F89 V254 I257 I261 M313 A325 F326 H332 A333F89-I329 HydrophobicContact CD2-CG2 4.19Å; F89-I329 HydrophobicContact CE2-CG2 4.06Å; V254-I329 HydrophobicContact CB-CG2 4.45Å; V254-I329 HydrophobicContact CG1-CB 4.2Å; V254-I329 HydrophobicContact CG1-CD1 3.69Å; V254-I329 HydrophobicContact CG1-CG1 3.81Å; V254-I329 HydrophobicContact CG1-CG2 3.33Å; V254-I329 HydrophobicContact CG2-CG2 4.3Å; I257-I329 HydrophobicContact CB-CD1 4.4Å; I257-I329 HydrophobicContact CG2-CD1 3.81Å; I261-I329 HydrophobicContact CD1-CD1 3.58Å; M313-I329 HydrophobicContact CE-CG1 4.01Å; M313-I329 HydrophobicContact CG-CG1 4.49Å; M313-I329 HydrophobicContact SD-CD1 4.42Å; M313-I329 HydrophobicContact SD-CG1 3.48Å; M313-I329 WeakPolarHBondContact SD-CG1 3.38Å; A325-I329 WeakPolarHBondContact O-CG1 3.49Å; A325-I329 PolarHBondContact O-N 3.5Å; F326-I329 VanDerWaalsContact O-CB 3.3Å; F326-I329 WeakPolarHBondContact O-CB 3.29Å; F326-I329 PolarHBondContact O-N 2.88Å; F326-I329 VanDerWaalsContact O-N 3.09Å; I329-H332 PolarHBondContact O-N 3.06Å; I329-A333 PolarHBondContact O-N 3.48Å; I329-A333 VanDerWaalsContact O-N 3.12Å
330C95.4Very high95.3Very high1 Ų18.8 Ų8.81%0.0074%0.044CC..Hα-helixtrans-63.4-45.5-179.3-69.10000112V92 F326 L327 H328 F334 I468V92-C330 HydrophobicContact CG2-CB 4.35Å; F326-C330 PolarHBondContact O-N 3.04Å; L327-C330 PolarHBondContact O-N 3.42Å; H328-C330 VanDerWaalsContact C-N 3.32Å; H328-C330 PolarHBondContact O-N 3.28Å; C330-F334 WeakPolarHBondContact O-CD2 3.4Å; C330-F334 WeakPolarHBondContact O-CE2 3.32Å; C330-I468 HydrophobicContact CB-CD1 4.25Å
331T95.4Very high95.4Very high0 Ų06.9 Ų6.90%03%0.034CC..Hα-helixtrans-68.9-39.6178.860.50000111.8L327 H328 A333 F334 F335 T387 S391L327-T331 HydrophobicContact CD2-CG2 4.48Å; L327-T331 WeakPolarHBondContact O-CG2 3.4Å; L327-T331 PolarHBondContact O-N 2.91Å; L327-T331 PolarHBondContact O-OG1 3.14Å; H328-T331 PolarHBondContact O-N 3.45Å; H328-T331 PolarHBondContact O-OG1 3.08Å; T331-A333 VanDerWaalsContact C-N 3.32Å; T331-A333 PolarHBondContact O-N 3.33Å; T331-F334 PolarHBondContact O-N 3.46Å; T331-F335 WeakPolarHBondContact O-CD1 3.26Å; T331-F335 VanDerWaalsContact O-CE1 3.32Å; T331-F335 WeakPolarHBondContact O-CE1 3.18Å; T331-T387 WeakPolarHBondContact CG2-O 3.42Å; T331-S391 PolarHBondContact OG1-OG 3.08Å
332H95.9Very high95.6Very high0 Ų05 Ų50%03%0.025CC..Hα-helixtrans-57.5-40.7177.3176.5-92.6000113.5S249 M313 H328 I329 F334 F335 K336S249-H332 PolarHBondContact O-ND1 2.87Å; S249-H332 VanDerWaalsContact O-ND1 3.15Å; M313-H332 HydrophobicContact CE-CB 3.64Å; H328-H332 WeakPolarHBondContact O-CB 3.3Å; H328-H332 PolarHBondContact O-N 3.4Å; I329-H332 PolarHBondContact O-N 3.06Å; H332-F334 VanDerWaalsContact C-N 3.28Å; H332-F334 PolarHBondContact O-N 3.32Å; H332-F335 VanDerWaalsContact CA-CE1 3.41Å; H332-F335 VanDerWaalsContact CA-CZ 3.4Å; H332-F335 HydrophobicContact CB-CE1 4.35Å; H332-F335 HydrophobicContact CB-CE2 4.43Å; H332-F335 HydrophobicContact CB-CZ 3.93Å; H332-F335 AromaticContact CD2-CE2 3.86Å; H332-K336 VanDerWaalsContact CE1-CG 3.45Å; H332-K336 WeakPolarHBondContact CE1-CG 3.48Å; H332-K336 WeakPolarHBondContact NE2-CE 3.21Å; H332-K336 VanDerWaalsContact NE2-CG 3.26Å; H332-K336 WeakPolarHBondContact NE2-CG 3.42Å; H332-K336 VanDerWaalsContact O-CB 3.32Å; H332-K336 WeakPolarHBondContact O-CB 3.34Å; H332-K336 WeakPolarHBondContact O-CG 3.49Å; H332-K336 PolarHBondContact O-N 3.13Å
333A95.6Very high95.7Very high6 Ų64.9 Ų4.95%0.052%0.024CC..Hα-helixtrans-52.9-44.817800000112.4V92 I329 T331 A337V92-A333 HydrophobicContact CG1-CB 3.58Å; I329-A333 PolarHBondContact O-N 3.48Å; I329-A333 VanDerWaalsContact O-N 3.12Å; T331-A333 VanDerWaalsContact C-N 3.32Å; T331-A333 PolarHBondContact O-N 3.33Å; A333-A337 WeakPolarHBondContact O-CB 3.15Å; A333-A337 PolarHBondContact O-N 3.43Å; A333-A337 VanDerWaalsContact O-N 3.14Å
334F95.3Very high95.8Very high17 Ų172.3 Ų2.38%0.0751%0.012CC..Hα-helixtrans-66.7-57.6-177.1-65.9-81.2000112.4V92 F95 C330 T331 H332 K336 M338 L457 A464 I468V92-F334 HydrophobicContact CG1-CE2 4.04Å; V92-F334 HydrophobicContact CG1-CZ 4.25Å; V92-F334 HydrophobicContact CG2-CE2 4.08Å; V92-F334 HydrophobicContact CG2-CZ 4.1Å; F95-F334 AromaticContact CD1-CD1 3.96Å; F95-F334 HydrophobicContact CD1-CD1 3.96Å; F95-F334 AromaticContact CD1-CE1 3.44Å; F95-F334 HydrophobicContact CD1-CE1 3.44Å; F95-F334 VanDerWaalsContact CD1-CE1 3.44Å; F95-F334 AromaticContact CE1-CD1 3.93Å; F95-F334 HydrophobicContact CE1-CD1 3.93Å; F95-F334 AromaticContact CE1-CE1 3.66Å; F95-F334 HydrophobicContact CE1-CE1 3.66Å; F95-F334 HydrophobicContact CG-CE1 4.3Å; C330-F334 WeakPolarHBondContact O-CD2 3.4Å; C330-F334 WeakPolarHBondContact O-CE2 3.32Å; T331-F334 PolarHBondContact O-N 3.46Å; H332-F334 VanDerWaalsContact C-N 3.28Å; H332-F334 PolarHBondContact O-N 3.32Å; F334-K336 PolarHBondContact O-N 2.55Å; F334-M338 WeakPolarHBondContact O-CB 3.45Å; F334-M338 PolarHBondContact O-N 3.4Å; F334-M338 VanDerWaalsContact O-N 3.09Å; F334-L457 HydrophobicContact CD1-CD2 4.04Å; F334-A464 HydrophobicContact CD2-CB 3.92Å; F334-A464 HydrophobicContact CE1-CB 4.18Å; F334-A464 HydrophobicContact CE2-CB 3.57Å; F334-A464 HydrophobicContact CG-CB 4.39Å; F334-A464 HydrophobicContact CZ-CB 3.71Å; F334-I468 HydrophobicContact CE2-CD1 4.3Å
335F95.1Very high95.9Very high1 Ų12.1 Ų2.10%0.0041%0.011CC..Hα-helixtrans-72.1-29.5-173.459.3-106.8000112.7T331 H332 L339 A379 L380T331-F335 WeakPolarHBondContact O-CD1 3.26Å; T331-F335 VanDerWaalsContact O-CE1 3.32Å; T331-F335 WeakPolarHBondContact O-CE1 3.18Å; H332-F335 VanDerWaalsContact CA-CE1 3.41Å; H332-F335 VanDerWaalsContact CA-CZ 3.4Å; H332-F335 HydrophobicContact CB-CE1 4.35Å; H332-F335 HydrophobicContact CB-CE2 4.43Å; H332-F335 HydrophobicContact CB-CZ 3.93Å; H332-F335 AromaticContact CD2-CE2 3.86Å; F335-L339 VanDerWaalsContact O-CG 3.27Å; F335-L339 WeakPolarHBondContact O-CG 3.41Å; F335-L339 PolarHBondContact O-N 3.5Å; F335-A379 HydrophobicContact CB-CB 4.01Å; F335-A379 HydrophobicContact CD1-CB 4.28Å; F335-A379 HydrophobicContact CG-CB 4.3Å; F335-L380 HydrophobicContact CD2-CB 4.17Å; F335-L380 HydrophobicContact CE2-CB 4.17Å; F335-L380 HydrophobicContact CE2-CG 4.36Å
336K96.3Very high96Very high0 Ų02.1 Ų2.10%01%0.011CC..Hα-helixtrans-73-43.5174.5-69.6-58-165.6-176.20113.3S305 T306 H332 F334 M338 L339 F340 L380S305-K336 VanDerWaalsContact CB-NZ 3.33Å; S305-K336 PolarHBondContact O-NZ 2.97Å; S305-K336 PolarHBondContact OG-NZ 3.42Å; T306-K336 HydrophobicContact CG2-CD 3.66Å; T306-K336 HydrophobicContact CG2-CG 3.95Å; H332-K336 VanDerWaalsContact CE1-CG 3.45Å; H332-K336 WeakPolarHBondContact CE1-CG 3.48Å; H332-K336 WeakPolarHBondContact NE2-CE 3.21Å; H332-K336 VanDerWaalsContact NE2-CG 3.26Å; H332-K336 WeakPolarHBondContact NE2-CG 3.42Å; H332-K336 VanDerWaalsContact O-CB 3.32Å; H332-K336 WeakPolarHBondContact O-CB 3.34Å; H332-K336 WeakPolarHBondContact O-CG 3.49Å; H332-K336 PolarHBondContact O-N 3.13Å; F334-K336 PolarHBondContact O-N 2.55Å; K336-M338 PolarHBondContact O-N 3.1Å; K336-L339 HydrophobicContact CD-CD1 4.33Å; K336-L339 PolarHBondContact O-N 2.96Å; K336-F340 WeakPolarHBondContact O-CD2 3.03Å; K336-F340 PolarHBondContact O-N 3.5Å; K336-L380 HydrophobicContact CD-CD1 4.42Å
337A95.6Very high96Very high0 Ų02.1 Ų2.10%01%0.011CC..Hα-helixtrans-58.2-41.717500000109.9A333 F340 M341 L457A333-A337 WeakPolarHBondContact O-CB 3.15Å; A333-A337 PolarHBondContact O-N 3.43Å; A333-A337 VanDerWaalsContact O-N 3.14Å; A337-F340 PolarHBondContact O-N 2.88Å; A337-M341 WeakPolarHBondContact O-CG 3.45Å; A337-M341 PolarHBondContact O-N 3Å; A337-L457 HydrophobicContact CB-CD1 3.69Å; A337-L457 HydrophobicContact CB-CD2 4.29Å
338M96.1Very high96Very high0 Ų04.3 Ų4.30%02%0.021CC..Hα-helixtrans-59.9-50174.3-170.3172.862.500112.7F334 K336 F340 M341 C342 S372 I375 L457 T458 S461F334-M338 WeakPolarHBondContact O-CB 3.45Å; F334-M338 PolarHBondContact O-N 3.4Å; F334-M338 VanDerWaalsContact O-N 3.09Å; K336-M338 PolarHBondContact O-N 3.1Å; M338-F340 VanDerWaalsContact C-N 3.34Å; M338-F340 PolarHBondContact O-N 3.37Å; M338-M341 PolarHBondContact O-N 3.22Å; M338-C342 WeakPolarHBondContact O-CB 3.49Å; M338-C342 PolarHBondContact O-N 2.91Å; M338-C342 PolarHBondContact O-SG 3.44Å; M338-S372 VanDerWaalsContact CE-O 3.27Å; M338-S372 WeakPolarHBondContact CE-O 3.31Å; M338-I375 HydrophobicContact CE-CG2 4.37Å; M338-L457 HydrophobicContact CB-CB 4.1Å; M338-L457 HydrophobicContact CG-CB 4.41Å; M338-T458 VanDerWaalsContact SD-CA 3.54Å; M338-T458 HydrophobicContact SD-CG2 3.35Å; M338-T458 WeakPolarHBondContact SD-CG2 3.32Å; M338-S461 WeakPolarHBondContact CE-OG 3.28Å
339L96.9Very high96Very high0 Ų04.7 Ų4.70%02%0.023CC..Hα-helixtrans-59.2-42.5179-74.5171.5000112.2V302 F335 K336 C342 S343 L373 L380V302-L339 HydrophobicContact CG1-CB 4.13Å; V302-L339 HydrophobicContact CG2-CB 4.48Å; F335-L339 VanDerWaalsContact O-CG 3.27Å; F335-L339 WeakPolarHBondContact O-CG 3.41Å; F335-L339 PolarHBondContact O-N 3.5Å; K336-L339 HydrophobicContact CD-CD1 4.33Å; K336-L339 PolarHBondContact O-N 2.96Å; L339-C342 PolarHBondContact O-N 3.36Å; L339-S343 WeakPolarHBondContact O-CB 3.47Å; L339-S343 PolarHBondContact O-N 3.17Å; L339-L373 HydrophobicContact CD2-CD1 3.94Å; L339-L373 HydrophobicContact CD2-CG 4.39Å; L339-L380 HydrophobicContact CD1-CD1 3.63Å
340F97.1Very high95.9Very high1 Ų14.7 Ų4.70%0.0042%0.023CC..Hα-helixtrans-66.4-41.5176.6-83.8-68.5000112.5M237 A245 H248 V302 T306 K336 A337 M338 S343 G344M237-F340 HydrophobicContact CE-CE1 4.46Å; M237-F340 HydrophobicContact CE-CZ 4.33Å; M237-F340 HydrophobicContact SD-CE1 3.81Å; M237-F340 HydrophobicContact SD-CZ 4.22Å; A245-F340 HydrophobicContact CB-CB 3.57Å; A245-F340 HydrophobicContact CB-CG 4.36Å; H248-F340 HydrophobicContact CB-CE2 3.64Å; H248-F340 HydrophobicContact CB-CZ 3.94Å; V302-F340 HydrophobicContact CB-CD1 4.42Å; V302-F340 HydrophobicContact CB-CE1 3.97Å; V302-F340 HydrophobicContact CB-CE2 4.43Å; V302-F340 HydrophobicContact CB-CZ 3.99Å; V302-F340 HydrophobicContact CG1-CD1 4.08Å; V302-F340 HydrophobicContact CG1-CD2 3.75Å; V302-F340 HydrophobicContact CG1-CE1 3.82Å; V302-F340 HydrophobicContact CG1-CE2 3.46Å; V302-F340 VanDerWaalsContact CG1-CE2 3.46Å; V302-F340 HydrophobicContact CG1-CG 4.05Å; V302-F340 HydrophobicContact CG1-CZ 3.51Å; T306-F340 HydrophobicContact CG2-CE2 4.15Å; K336-F340 WeakPolarHBondContact O-CD2 3.03Å; K336-F340 PolarHBondContact O-N 3.5Å; A337-F340 PolarHBondContact O-N 2.88Å; M338-F340 VanDerWaalsContact C-N 3.34Å; M338-F340 PolarHBondContact O-N 3.37Å; F340-S343 WeakPolarHBondContact CA-OG 3.33Å; F340-S343 PolarHBondContact O-N 3.43Å; F340-S343 PolarHBondContact O-OG 3.48Å; F340-G344 PolarHBondContact O-N 2.87Å
341M95.8Very high95.8Very high0 Ų09.7 Ų9.70%05%0.05CC..Hα-helixtrans-66.4-40176.4-69.2-170.9-34.600112.4F103 A337 M338 S343 G344 S345 P453 I454 L457F103-M341 HydrophobicContact CB-CG 4.48Å; F103-M341 HydrophobicContact CB-SD 3.93Å; F103-M341 HydrophobicContact CD1-CG 4.23Å; F103-M341 HydrophobicContact CD2-CB 4.38Å; F103-M341 HydrophobicContact CD2-CG 4.39Å; F103-M341 HydrophobicContact CE2-CB 4.43Å; F103-M341 HydrophobicContact CG-CG 4.11Å; F103-M341 HydrophobicContact CG-SD 4.17Å; A337-M341 WeakPolarHBondContact O-CG 3.45Å; A337-M341 PolarHBondContact O-N 3Å; M338-M341 PolarHBondContact O-N 3.22Å; M341-S343 VanDerWaalsContact C-N 3.32Å; M341-S343 PolarHBondContact O-N 2.8Å; M341-G344 PolarHBondContact O-N 3.28Å; M341-S345 PolarHBondContact O-N 3.02Å; M341-S345 PolarHBondContact O-OG 3.44Å; M341-P453 HydrophobicContact CE-CB 4.21Å; M341-P453 HydrophobicContact SD-CB 4.19Å; M341-I454 HydrophobicContact CB-CG1 4.5Å; M341-I454 HydrophobicContact CE-CG1 3.9Å; M341-L457 HydrophobicContact CE-CB 4.27Å; M341-L457 HydrophobicContact CE-CD1 3.18Å; M341-L457 HydrophobicContact CE-CG 4.16Å; M341-L457 HydrophobicContact SD-CD1 3.85Å
342C97.1Very high95.7Very high0 Ų014.7 Ų14.70%08%0.076CC..Hα-helixtrans-64-39.3173.9-60.80000111.1M338 L339 G344 S345 I346 S372 L373M338-C342 WeakPolarHBondContact O-CB 3.49Å; M338-C342 PolarHBondContact O-N 2.91Å; M338-C342 PolarHBondContact O-SG 3.44Å; L339-C342 PolarHBondContact O-N 3.36Å; C342-G344 VanDerWaalsContact C-N 3.33Å; C342-S345 PolarHBondContact O-N 3.07Å; C342-S345 PolarHBondContact O-OG 3.17Å; C342-I346 WeakPolarHBondContact O-CD1 3.46Å; C342-I346 VanDerWaalsContact O-CG1 3.25Å; C342-I346 WeakPolarHBondContact O-CG1 3.29Å; C342-I346 PolarHBondContact O-N 2.86Å; C342-I346 VanDerWaalsContact O-N 3.14Å; C342-S372 PolarHBondContact SG-OG 3.34Å; C342-L373 HydrophobicContact CB-CB 4.21Å; C342-L373 HydrophobicContact CB-CD1 3.7Å
343S96.6Very high95.6Very high0 Ų017.2 Ų17.20%09%0.088CC..Hα-helixtrans-64.2-40.9173.177.80000111.3L339 F340 M341 S345 I346 I347L339-S343 WeakPolarHBondContact O-CB 3.47Å; L339-S343 PolarHBondContact O-N 3.17Å; F340-S343 WeakPolarHBondContact CA-OG 3.33Å; F340-S343 PolarHBondContact O-N 3.43Å; F340-S343 PolarHBondContact O-OG 3.48Å; M341-S343 VanDerWaalsContact C-N 3.32Å; M341-S343 PolarHBondContact O-N 2.8Å; S343-S345 PolarHBondContact O-N 3.13Å; S343-I346 PolarHBondContact O-N 2.87Å; S343-I347 WeakPolarHBondContact O-CB 3.47Å; S343-I347 WeakPolarHBondContact O-CD1 3.3Å; S343-I347 WeakPolarHBondContact O-CG1 3.38Å; S343-I347 PolarHBondContact O-N 2.99Å
344G96.1Very high95.6Very high0 Ų019.7 Ų19.70%010%0.099CC..Hα-helixtrans-65.9-37178.700000113.3F340 M341 C342 I347 H348F340-G344 PolarHBondContact O-N 2.87Å; M341-G344 PolarHBondContact O-N 3.28Å; C342-G344 VanDerWaalsContact C-N 3.33Å; G344-I347 PolarHBondContact O-N 3.3Å; G344-H348 WeakPolarHBondContact O-CB 3.37Å; G344-H348 PolarHBondContact O-N 3.24Å
345S96.6Very high95.7Very high0 Ų019.8 Ų19.80%010%0.1CC..Hα-helixtrans-66.8-40.7174.265.30000112.2M341 C342 S343 N349 T369M341-S345 PolarHBondContact O-N 3.02Å; M341-S345 PolarHBondContact O-OG 3.44Å; C342-S345 PolarHBondContact O-N 3.07Å; C342-S345 PolarHBondContact O-OG 3.17Å; S343-S345 PolarHBondContact O-N 3.13Å; S345-N349 VanDerWaalsContact O-CB 3.29Å; S345-N349 WeakPolarHBondContact O-CB 3.2Å; S345-N349 PolarHBondContact O-N 3.36Å; S345-T369 WeakPolarHBondContact OG-CG2 3.41Å
346I96.8Very high95.8Very high1 Ų119.8 Ų19.81%0.00510%0.1CC..Hα-helixtrans-64-47.7175.3-66.6166.7000110C342 S343 H348 N349 L350 M359 L362C342-I346 WeakPolarHBondContact O-CD1 3.46Å; C342-I346 VanDerWaalsContact O-CG1 3.25Å; C342-I346 WeakPolarHBondContact O-CG1 3.29Å; C342-I346 PolarHBondContact O-N 2.86Å; C342-I346 VanDerWaalsContact O-N 3.14Å; S343-I346 PolarHBondContact O-N 2.87Å; I346-H348 PolarHBondContact O-N 3.36Å; I346-N349 PolarHBondContact O-N 2.87Å; I346-L350 HydrophobicContact CG2-CD1 3.75Å; I346-L350 HydrophobicContact CG2-CG 4.47Å; I346-L350 WeakPolarHBondContact O-CB 3.37Å; I346-L350 WeakPolarHBondContact O-CG 3.33Å; I346-L350 PolarHBondContact O-N 2.62Å; I346-M359 HydrophobicContact CG2-CE 3.9Å; I346-M359 HydrophobicContact CG2-SD 3.72Å; I346-L362 HydrophobicContact CD1-CD1 4.28Å; I346-L362 HydrophobicContact CG1-CD1 4.14Å; I346-L362 HydrophobicContact CG2-CD1 3.62Å
347I96Very high95.7Very high0 Ų026.7 Ų26.70%013%0.126CC..Hα-helixtrans-59.4-49.1-179.8-69.3162.3000111T241 I298 K299 S343 G344 L350 N351 N352 Q354T241-I347 HydrophobicContact CG2-CD1 4.05Å; I298-I347 HydrophobicContact CG2-CD1 3.86Å; I298-I347 HydrophobicContact CG2-CG1 4.15Å; K299-I347 HydrophobicContact CD-CD1 3.91Å; K299-I347 HydrophobicContact CG-CD1 3.81Å; S343-I347 WeakPolarHBondContact O-CB 3.47Å; S343-I347 WeakPolarHBondContact O-CD1 3.3Å; S343-I347 WeakPolarHBondContact O-CG1 3.38Å; S343-I347 PolarHBondContact O-N 2.99Å; G344-I347 PolarHBondContact O-N 3.3Å; I347-L350 CarbonylContact O-C 3.55Å; I347-L350 PolarHBondContact O-N 3.11Å; I347-N351 PolarHBondContact O-N 3.49Å; I347-N352 VanDerWaalsContact O-CA 3.31Å; I347-N352 WeakPolarHBondContact O-CA 3.22Å; I347-N352 PolarHBondContact O-N 3.23Å; I347-Q354 HydrophobicContact CD1-CG 4.02Å; I347-Q354 HydrophobicContact CG1-CG 4.07Å; I347-Q354 HydrophobicContact CG2-CG 4.02Å
348H94.9Very high95.7Very high63 Ų6330.9 Ų30.929%0.29214%0.144SC..Hα-helixtrans-69.2-37.3-176.7-173.7-81.5000112.1W106 Y107 G344 I346 L350 N351W106-H348 HydrophobicContact CH2-CB 3.59Å; W106-H348 AromaticContact CH2-CG 3.67Å; W106-H348 AromaticContact CH2-ND1 3.47Å; W106-H348 WeakPolarHBondContact CH2-ND1 3.2Å; W106-H348 HydrophobicContact CZ2-CB 4.43Å; W106-H348 AromaticContact CZ2-ND1 3.41Å; W106-H348 WeakPolarHBondContact CZ2-ND1 3.15Å; W106-H348 HydrophobicContact CZ3-CB 3.95Å; Y107-H348 HydrophobicContact CD2-CB 4.13Å; Y107-H348 HydrophobicContact CE2-CB 3.99Å; G344-H348 WeakPolarHBondContact O-CB 3.37Å; G344-H348 PolarHBondContact O-N 3.24Å; I346-H348 PolarHBondContact O-N 3.36Å; H348-L350 VanDerWaalsContact C-N 3.29Å; H348-L350 PolarHBondContact O-N 3.07Å; H348-N351 PolarHBondContact O-N 2.8Å
349N94.6Very high95.6Very high8 Ų830.9 Ų30.94%0.04314%0.144CC..Hα-helixtrans-73.1-19.5176.1-75.5-9.3000113.8S345 I346 M366 I443 N444S345-N349 VanDerWaalsContact O-CB 3.29Å; S345-N349 WeakPolarHBondContact O-CB 3.2Å; S345-N349 PolarHBondContact O-N 3.36Å; I346-N349 PolarHBondContact O-N 2.87Å; N349-M366 HydrophobicContact CB-CE 4.34Å; N349-M366 HydrophobicContact CB-SD 3.96Å; N349-M366 WeakPolarHBondContact ND2-CE 3.22Å; N349-M366 PolarHBondContact ND2-SD 2.97Å; N349-I443 HydrophobicContact CB-CG2 4.43Å; N349-N444 PolarHBondContact ND2-O 3.13Å; N349-N444 PolarHBondContact OD1-O 3.37Å
350L94.9Very high95.5Very high1 Ų130.9 Ų30.91%0.00514%0.144CC..THydrogen-bonded Turntrans-101.230.4174-63.2178.6000112.4I346 I347 H348 N352 E353 M359 L362 F437 T441 I443I346-L350 HydrophobicContact CG2-CD1 3.75Å; I346-L350 HydrophobicContact CG2-CG 4.47Å; I346-L350 WeakPolarHBondContact O-CB 3.37Å; I346-L350 WeakPolarHBondContact O-CG 3.33Å; I346-L350 PolarHBondContact O-N 2.62Å; I347-L350 CarbonylContact O-C 3.55Å; I347-L350 PolarHBondContact O-N 3.11Å; H348-L350 VanDerWaalsContact C-N 3.29Å; H348-L350 PolarHBondContact O-N 3.07Å; L350-N352 PolarHBondContact O-N 3.01Å; L350-E353 HydrophobicContact CB-CB 4.27Å; L350-E353 WeakPolarHBondContact O-CB 3.34Å; L350-E353 WeakPolarHBondContact O-CG 3.49Å; L350-E353 PolarHBondContact O-N 3.44Å; L350-M359 HydrophobicContact CD1-CG 3.82Å; L350-L362 HydrophobicContact CD1-CD1 4.36Å; L350-F437 HydrophobicContact CD2-CB 3.79Å; L350-F437 HydrophobicContact CD2-CD1 4.02Å; L350-F437 HydrophobicContact CD2-CD2 4.23Å; L350-F437 HydrophobicContact CD2-CG 3.77Å; L350-T441 HydrophobicContact CD2-CG2 4.24Å; L350-I443 HydrophobicContact CD2-CD1 4.43Å
351N93.3Very high95.4Very high106 Ų10631.7 Ų31.757%0.56715%0.153SC*.THydrogen-bonded Turntrans54.946.4176.2-61.1-25.3000114I347 H348 E353I347-N351 PolarHBondContact O-N 3.49Å; H348-N351 PolarHBondContact O-N 2.8Å; N351-E353 VanDerWaalsContact C-N 3.31Å; N351-E353 PolarHBondContact O-N 3.11Å
352N93Very high95.3Very high104 Ų10431.8 Ų31.856%0.55615%0.153SC*.THydrogen-bonded Turntrans68.716.2-179.5-59.1-47.4000116I347 L350 Q354I347-N352 VanDerWaalsContact O-CA 3.31Å; I347-N352 WeakPolarHBondContact O-CA 3.22Å; I347-N352 PolarHBondContact O-N 3.23Å; L350-N352 PolarHBondContact O-N 3.01Å; N352-Q354 PolarHBondContact O-N 3.46Å
353E94.5Very high95.2Very high54 Ų5436.2 Ų36.225%0.25218%0.177SC..  trans-73.7121.2171.5-71.7-76.4-168.300111.2L350 N351 K358 M359L350-E353 HydrophobicContact CB-CB 4.27Å; L350-E353 WeakPolarHBondContact O-CB 3.34Å; L350-E353 WeakPolarHBondContact O-CG 3.49Å; L350-E353 PolarHBondContact O-N 3.44Å; N351-E353 VanDerWaalsContact C-N 3.31Å; N351-E353 PolarHBondContact O-N 3.11Å; E353-K358 IonicContact OE1-NZ 2.91Å; E353-K358 PolarHBondContact OE1-NZ 2.84Å; E353-K358 WeakPolarHBondContact OE2-CD 3.17Å; E353-K358 IonicContact OE2-NZ 3.78Å; E353-K358 PolarHBondContact OE2-NZ 2.95Å; E353-M359 WeakPolarHBondContact O-CE 3.3Å
354Q95.6Very high95Very high58 Ų5845.3 Ų45.327%0.27122%0.216SC..  trans-104.5-12.8-177.1-56.8-172.39.200114I298 I347 N352I298-Q354 PolarHBondContact N-O 3.02Å; I347-Q354 HydrophobicContact CD1-CG 4.02Å; I347-Q354 HydrophobicContact CG1-CG 4.07Å; I347-Q354 HydrophobicContact CG2-CG 4.02Å; N352-Q354 PolarHBondContact O-N 3.46Å
355D96.9Very high94.8Very high19 Ų1948.3 Ų48.310%0.10224%0.235CC..BIsolated β-bridgetrans-82.5120.1-174.4-173.1-15.7000111.4N296 R357 K358N296-D355 WeakPolarHBondContact CB-OD1 3.42Å; D355-R357 PolarHBondContact O-N 2.8Å; D355-R357 VanDerWaalsContact O-N 3.11Å; D355-R357 VanDerWaalsContact OD1-CB 3.28Å; D355-R357 WeakPolarHBondContact OD1-CB 3.21Å; D355-R357 VanDerWaalsContact OD1-CG 3.3Å; D355-R357 WeakPolarHBondContact OD1-CG 3.48Å; D355-R357 PolarHBondContact OD1-N 3.26Å; D355-R357 IonicContact OD1-NE 2.99Å; D355-R357 PolarHBondContact OD1-NE 3.4Å; D355-R357 VanDerWaalsContact OD1-NE 3.08Å; D355-R357 IonicContact OD2-CZ 3.43Å; D355-R357 IonicContact OD2-NE 2.55Å; D355-R357 PolarHBondContact OD2-NE 3.47Å; D355-R357 IonicContact OD2-NH2 3.25Å; D355-R357 PolarHBondContact OD2-NH2 3.29Å; D355-K358 PolarHBondContact O-N 3.09Å; D355-K358 VanDerWaalsContact O-N 3.1Å
356I96.6Very high94.7Very high0 Ų048.3 Ų48.30%024%0.235CC..G310 helixtrans-60.5-22179.467.3-176.2000113.4N296 I298 I301 K358 M359 L429 T430 R436N296-I356 HydrophobicContact CB-CG1 4.44Å; N296-I356 WeakPolarHBondContact O-CG1 3.28Å; N296-I356 WeakPolarHBondContact O-CG2 3.49Å; N296-I356 PolarHBondContact O-N 3.41Å; I298-I356 HydrophobicContact CB-CG2 3.95Å; I298-I356 HydrophobicContact CG1-CG2 4.32Å; I301-I356 HydrophobicContact CD1-CD1 3.82Å; I301-I356 HydrophobicContact CD1-CG2 4.28Å; I356-K358 VanDerWaalsContact C-N 3.25Å; I356-K358 PolarHBondContact O-N 3.2Å; I356-M359 HydrophobicContact CG2-SD 4.37Å; I356-M359 PolarHBondContact O-N 3.45Å; I356-L429 HydrophobicContact CB-CB 4.41Å; I356-L429 HydrophobicContact CD1-CB 4.41Å; I356-L429 HydrophobicContact CD1-CD1 3.58Å; I356-L429 HydrophobicContact CG1-CB 4.49Å; I356-L429 HydrophobicContact CG1-CD1 4.13Å; I356-T430 HydrophobicContact CB-CG2 4.07Å; I356-T430 HydrophobicContact CG2-CG2 3.66Å; I356-R436 PolarHBondContact O-NH2 2.85Å
357R95.1Very high94.6Very high146 Ų14651.9 Ų51.955%0.55126%0.258SS*.G310 helixtrans-67.3-29.9178.8-62.9176.9-66.3-179.40.4111.8D355 R436D355-R357 PolarHBondContact O-N 2.8Å; D355-R357 VanDerWaalsContact O-N 3.11Å; D355-R357 VanDerWaalsContact OD1-CB 3.28Å; D355-R357 WeakPolarHBondContact OD1-CB 3.21Å; D355-R357 VanDerWaalsContact OD1-CG 3.3Å; D355-R357 WeakPolarHBondContact OD1-CG 3.48Å; D355-R357 PolarHBondContact OD1-N 3.26Å; D355-R357 IonicContact OD1-NE 2.99Å; D355-R357 PolarHBondContact OD1-NE 3.4Å; D355-R357 VanDerWaalsContact OD1-NE 3.08Å; D355-R357 IonicContact OD2-CZ 3.43Å; D355-R357 IonicContact OD2-NE 2.55Å; D355-R357 PolarHBondContact OD2-NE 3.47Å; D355-R357 IonicContact OD2-NH2 3.25Å; D355-R357 PolarHBondContact OD2-NH2 3.29Å; R357-R436 WeakPolarHBondContact O-CD 3.44Å; R357-R436 PolarHBondContact O-NE 2.68Å
358K94.6Very high94.6Very high87 Ų8753.7 Ų53.738%0.37827%0.268SS..G310 helixtrans-93.98.9176.6-61.1179.1-178.4174.30113.2E353 D355 I356 R436 F437E353-K358 IonicContact OE1-NZ 2.91Å; E353-K358 PolarHBondContact OE1-NZ 2.84Å; E353-K358 WeakPolarHBondContact OE2-CD 3.17Å; E353-K358 IonicContact OE2-NZ 3.78Å; E353-K358 PolarHBondContact OE2-NZ 2.95Å; D355-K358 PolarHBondContact O-N 3.09Å; D355-K358 VanDerWaalsContact O-N 3.1Å; I356-K358 VanDerWaalsContact C-N 3.25Å; I356-K358 PolarHBondContact O-N 3.2Å; K358-R436 CarbonylContact O-C 3.58Å; K358-R436 VanDerWaalsContact O-C 3.32Å; K358-F437 WeakPolarHBondContact O-CA 3.37Å; K358-F437 VanDerWaalsContact O-CB 3.26Å; K358-F437 WeakPolarHBondContact O-CB 3.48Å; K358-F437 PolarHBondContact O-N 2.82Å; K358-F437 VanDerWaalsContact O-N 3.07Å
359M95.3Very high94.7Very high0 Ų050.8 Ų50.80%025%0.254CS..  trans-97.8-168.1174.3-60.2-178.9-176.300110.5I298 I346 L350 E353 I356 L362 T430 R436I298-M359 HydrophobicContact CD1-SD 4.4Å; I298-M359 HydrophobicContact CG2-CE 4.26Å; I346-M359 HydrophobicContact CG2-CE 3.9Å; I346-M359 HydrophobicContact CG2-SD 3.72Å; L350-M359 HydrophobicContact CD1-CG 3.82Å; E353-M359 WeakPolarHBondContact O-CE 3.3Å; I356-M359 HydrophobicContact CG2-SD 4.37Å; I356-M359 PolarHBondContact O-N 3.45Å; M359-L362 HydrophobicContact CB-CD1 4.49Å; M359-T430 HydrophobicContact SD-CG2 3.71Å; M359-R436 WeakPolarHBondContact O-CB 3.41Å; M359-R436 PolarHBondContact O-N 2.79Å; M359-R436 PolarHBondContact O-NE 3.45Å; M359-R436 PolarHBondContact O-NH2 3.43Å
360G94.6Very high94.8Very high0 Ų050.7 Ų50.70%025%0.254CS..  trans127.9151.817500000112.8L362 T430 P435 F437G360-L362 PolarHBondContact O-N 3.27Å; G360-L362 VanDerWaalsContact O-N 3.16Å; G360-T430 VanDerWaalsContact CA-O 3.27Å; G360-T430 WeakPolarHBondContact CA-O 3.28Å; G360-T430 PolarHBondContact N-O 3.07Å; G360-T430 VanDerWaalsContact N-O 3.17Å; G360-P435 WeakPolarHBondContact O-CA 3.21Å; G360-F437 WeakPolarHBondContact O-CE1 3.25Å
361G93.8Very high94.9Very high19 Ų1954 Ų5420%0.19627%0.274CS..  trans65.813177.700000115.5L363 L431 T432 G433G361-L363 PolarHBondContact O-N 2.63Å; G361-L431 CarbonylContact C-O 3.6Å; G361-L431 WeakPolarHBondContact CA-O 3.38Å; G361-L431 PolarHBondContact N-O 2.79Å; G361-T432 PolarHBondContact N-O 3.49Å; G361-T432 VanDerWaalsContact N-O 3.16Å; G361-G433 WeakPolarHBondContact CA-O 3.4Å; G361-G433 PolarHBondContact N-O 3.37Å
362L95.2Very high95Very high1 Ų148.9 Ų48.91%0.00525%0.247CC..Hα-helixtrans-71.9-14-174.5-65.2175000114.2I346 L350 M359 G360 K364 T365 M366 T430 L431 F437 I443I346-L362 HydrophobicContact CD1-CD1 4.28Å; I346-L362 HydrophobicContact CG1-CD1 4.14Å; I346-L362 HydrophobicContact CG2-CD1 3.62Å; L350-L362 HydrophobicContact CD1-CD1 4.36Å; M359-L362 HydrophobicContact CB-CD1 4.49Å; G360-L362 PolarHBondContact O-N 3.27Å; G360-L362 VanDerWaalsContact O-N 3.16Å; L362-K364 PolarHBondContact O-N 3.49Å; L362-T365 WeakPolarHBondContact CA-OG1 3.49Å; L362-T365 PolarHBondContact O-N 2.92Å; L362-T365 PolarHBondContact O-OG1 3.37Å; L362-M366 PolarHBondContact O-N 3.33Å; L362-T430 WeakPolarHBondContact CD1-O 3.41Å; L362-T430 WeakPolarHBondContact CG-O 3.43Å; L362-L431 HydrophobicContact CB-CD2 4.06Å; L362-L431 PolarHBondContact N-O 2.97Å; L362-F437 HydrophobicContact CD2-CE1 4.17Å; L362-I443 HydrophobicContact CD2-CD1 4.33Å
363L95.3Very high95.2Very high94 Ų9444 Ų4449%0.49222%0.221SC..Hα-helixtrans-58.7-33.5-179.4-172.5134.4000113.1G361 L431G361-L363 PolarHBondContact O-N 2.63Å; L363-L431 HydrophobicContact CB-CB 4.48Å; L363-L431 PolarHBondContact N-O 3.23Å
364K90.6Very high95.4Very high190 Ų19043.3 Ų43.383%0.82622%0.22SC*.Hα-helixtrans-89.4-31.3177.7-67.1-176.2179.9-179.30113.1L362L362-K364 PolarHBondContact O-N 3.49Å
365T92Very high95.4Very high63 Ų6342.6 Ų42.639%0.38722%0.218SC..Hα-helixtrans-84.8-32.1-174.559.60000112.8L362 I443L362-T365 WeakPolarHBondContact CA-OG1 3.49Å; L362-T365 PolarHBondContact O-N 2.92Å; L362-T365 PolarHBondContact O-OG1 3.37Å; T365-I443 HydrophobicContact CG2-CD1 4.32Å
366M94.9Very high95.4Very high1 Ų141.7 Ų41.71%0.00521%0.213CC..SBendtrans-130.875.8177.9-55.7-178.654.300110.8N349 L362 L368 T369 S370 I443 E445N349-M366 HydrophobicContact CB-CE 4.34Å; N349-M366 HydrophobicContact CB-SD 3.96Å; N349-M366 WeakPolarHBondContact ND2-CE 3.22Å; N349-M366 PolarHBondContact ND2-SD 2.97Å; L362-M366 PolarHBondContact O-N 3.33Å; M366-L368 PolarHBondContact O-N 2.91Å; M366-T369 WeakPolarHBondContact CB-OG1 3.48Å; M366-T369 HydrophobicContact CE-CG2 3.91Å; M366-T369 WeakPolarHBondContact CE-OG1 3.21Å; M366-T369 PolarHBondContact O-OG1 2.96Å; M366-S370 VanDerWaalsContact O-CB 3.27Å; M366-S370 WeakPolarHBondContact O-CB 3.32Å; M366-S370 PolarHBondContact O-N 3.15Å; M366-S370 PolarHBondContact O-OG 3.21Å; M366-I443 HydrophobicContact CG-CG2 3.35Å; M366-I443 HydrophobicContact SD-CG2 3.74Å; M366-E445 WeakPolarHBondContact CA-OE2 3.33Å; M366-E445 WeakPolarHBondContact CB-OE2 3.43Å; M366-E445 HydrophobicContact CE-CG 4.3Å
367P95.3Very high95.4Very high76 Ų7641.7 Ų41.749%0.49421%0.213SC..Hα-helixtrans-67.4-34.9-170.826.5-34.8000113.7S370 T371 E445P367-S370 VanDerWaalsContact CA-OG 3.3Å; P367-S370 WeakPolarHBondContact CA-OG 3.43Å; P367-S370 PolarHBondContact O-OG 3.37Å; P367-T371 WeakPolarHBondContact O-CB 3.37Å; P367-T371 VanDerWaalsContact O-CG2 3.26Å; P367-T371 WeakPolarHBondContact O-CG2 3.23Å; P367-T371 PolarHBondContact O-N 3.12Å; P367-T371 PolarHBondContact O-OG1 2.93Å; P367-E445 WeakPolarHBondContact CD-OE2 3.22Å
368L96.1Very high95.4Very high38 Ų3838.1 Ų38.120%0.19921%0.205CC..Hα-helixtrans-73.3-47.1-17918077.5000110.5M366 S370 T371 S372 E445 L451 I454 K455M366-L368 PolarHBondContact O-N 2.91Å; L368-S370 VanDerWaalsContact C-N 3.3Å; L368-S370 PolarHBondContact O-N 2.84Å; L368-T371 WeakPolarHBondContact CA-OG1 3.33Å; L368-T371 PolarHBondContact O-N 3.5Å; L368-T371 PolarHBondContact O-OG1 3.47Å; L368-S372 PolarHBondContact O-N 3.43Å; L368-S372 PolarHBondContact O-OG 3.31Å; L368-S372 VanDerWaalsContact O-OG 3.05Å; L368-E445 VanDerWaalsContact CB-OE1 3.28Å; L368-E445 WeakPolarHBondContact CB-OE1 3.35Å; L368-E445 PolarHBondContact N-OE2 3.05Å; L368-L451 HydrophobicContact CB-CD2 4.24Å; L368-L451 HydrophobicContact CD2-CB 4.03Å; L368-L451 HydrophobicContact CD2-CD2 3.31Å; L368-L451 HydrophobicContact CD2-CG 4.25Å; L368-L451 HydrophobicContact CG-CD2 4.38Å; L368-I454 HydrophobicContact CD2-CG2 4.34Å; L368-I454 HydrophobicContact CG-CG2 4.42Å; L368-K455 HydrophobicContact CD1-CG 4.23Å; L368-K455 HydrophobicContact CD2-CG 4.03Å
369T96.7Very high95.5Very high2 Ų234 Ų341%0.01219%0.187CC..Hα-helixtrans-65.1-34.5178.449.90000112.6S345 M366 S372 L373 E445 I454S345-T369 WeakPolarHBondContact OG-CG2 3.41Å; M366-T369 WeakPolarHBondContact CB-OG1 3.48Å; M366-T369 HydrophobicContact CE-CG2 3.91Å; M366-T369 WeakPolarHBondContact CE-OG1 3.21Å; M366-T369 PolarHBondContact O-OG1 2.96Å; T369-S372 VanDerWaalsContact CA-OG 3.27Å; T369-S372 WeakPolarHBondContact CA-OG 3.44Å; T369-S372 PolarHBondContact O-OG 3.48Å; T369-L373 WeakPolarHBondContact O-CB 3.31Å; T369-L373 PolarHBondContact O-N 2.98Å; T369-E445 WeakPolarHBondContact CB-OE1 3.37Å; T369-E445 HydrophobicContact CG2-CG 4.32Å; T369-E445 WeakPolarHBondContact CG2-OE1 3.34Å; T369-E445 PolarHBondContact N-OE1 3.02Å; T369-E445 PolarHBondContact OG1-OE1 2.75Å; T369-I454 HydrophobicContact CG2-CD1 3.71Å
370S96.4Very high95.5Very high5 Ų534 Ų344%0.03519%0.187CC..Hα-helixtrans-68.4-41.9174.2600000112.2M366 P367 L368 T374M366-S370 VanDerWaalsContact O-CB 3.27Å; M366-S370 WeakPolarHBondContact O-CB 3.32Å; M366-S370 PolarHBondContact O-N 3.15Å; M366-S370 PolarHBondContact O-OG 3.21Å; P367-S370 VanDerWaalsContact CA-OG 3.3Å; P367-S370 WeakPolarHBondContact CA-OG 3.43Å; P367-S370 PolarHBondContact O-OG 3.37Å; L368-S370 VanDerWaalsContact C-N 3.3Å; L368-S370 PolarHBondContact O-N 2.84Å; S370-T374 WeakPolarHBondContact O-CG2 3.27Å; S370-T374 PolarHBondContact O-N 3.21Å; S370-T374 PolarHBondContact O-OG1 3.4Å
371T96.4Very high95.5Very high70 Ų7034.7 Ų34.743%0.42919%0.192SC..Hα-helixtrans-65.5-40.6173.951.90000112P367 L368 T374 I375P367-T371 WeakPolarHBondContact O-CB 3.37Å; P367-T371 VanDerWaalsContact O-CG2 3.26Å; P367-T371 WeakPolarHBondContact O-CG2 3.23Å; P367-T371 PolarHBondContact O-N 3.12Å; P367-T371 PolarHBondContact O-OG1 2.93Å; L368-T371 WeakPolarHBondContact CA-OG1 3.33Å; L368-T371 PolarHBondContact O-N 3.5Å; L368-T371 PolarHBondContact O-OG1 3.47Å; T371-T374 WeakPolarHBondContact CA-OG1 3.45Å; T371-T374 PolarHBondContact O-N 3.27Å; T371-T374 PolarHBondContact O-OG1 3.19Å; T371-I375 WeakPolarHBondContact O-CD1 3.38Å; T371-I375 VanDerWaalsContact O-CG1 3.23Å; T371-I375 WeakPolarHBondContact O-CG1 3.28Å; T371-I375 PolarHBondContact O-N 2.97Å
372S96.9Very high95.5Very high0 Ų034.4 Ų34.40%019%0.19CC..Hα-helixtrans-70.7-37.6176.558.90000113.2M338 C342 L368 T369 T374 I375 G376 I454M338-S372 VanDerWaalsContact CE-O 3.27Å; M338-S372 WeakPolarHBondContact CE-O 3.31Å; C342-S372 PolarHBondContact SG-OG 3.34Å; L368-S372 PolarHBondContact O-N 3.43Å; L368-S372 PolarHBondContact O-OG 3.31Å; L368-S372 VanDerWaalsContact O-OG 3.05Å; T369-S372 VanDerWaalsContact CA-OG 3.27Å; T369-S372 WeakPolarHBondContact CA-OG 3.44Å; T369-S372 PolarHBondContact O-OG 3.48Å; S372-T374 VanDerWaalsContact C-N 3.34Å; S372-I375 PolarHBondContact O-N 3.31Å; S372-G376 PolarHBondContact O-N 2.97Å; S372-I454 VanDerWaalsContact CB-CG2 3.48Å; S372-I454 VanDerWaalsContact OG-CG2 3.3Å; S372-I454 WeakPolarHBondContact OG-CG2 3.27Å
373L97.2Very high95.4Very high1 Ų138.9 Ų38.91%0.00521%0.212CC..Hα-helixtrans-63.1-41.3174.8-169.688.4000111L339 C342 T369 G376 S377 M426 L431L339-L373 HydrophobicContact CD2-CD1 3.94Å; L339-L373 HydrophobicContact CD2-CG 4.39Å; C342-L373 HydrophobicContact CB-CB 4.21Å; C342-L373 HydrophobicContact CB-CD1 3.7Å; T369-L373 WeakPolarHBondContact O-CB 3.31Å; T369-L373 PolarHBondContact O-N 2.98Å; L373-G376 PolarHBondContact O-N 3.31Å; L373-S377 WeakPolarHBondContact O-CB 3.36Å; L373-S377 PolarHBondContact O-N 3.08Å; L373-S377 PolarHBondContact O-OG 2.63Å; L373-M426 HydrophobicContact CD1-SD 4.29Å; L373-L431 HydrophobicContact CB-CD1 4.45Å; L373-L431 HydrophobicContact CD2-CD1 3.79Å; L373-L431 HydrophobicContact CD2-CD2 3.99Å; L373-L431 HydrophobicContact CD2-CG 3.85Å
374T97.1Very high95.4Very high39 Ų3936.2 Ų36.224%0.23920%0.2CC..Hα-helixtrans-67.6-43.9176.648.40000112.2S370 T371 S372 G376 S377 L378 I427 L431S370-T374 WeakPolarHBondContact O-CG2 3.27Å; S370-T374 PolarHBondContact O-N 3.21Å; S370-T374 PolarHBondContact O-OG1 3.4Å; T371-T374 WeakPolarHBondContact CA-OG1 3.45Å; T371-T374 PolarHBondContact O-N 3.27Å; T371-T374 PolarHBondContact O-OG1 3.19Å; S372-T374 VanDerWaalsContact C-N 3.34Å; T374-G376 VanDerWaalsContact C-N 3.32Å; T374-G376 PolarHBondContact O-N 2.81Å; T374-S377 VanDerWaalsContact CA-OG 3.31Å; T374-S377 WeakPolarHBondContact CA-OG 3.37Å; T374-S377 PolarHBondContact O-N 3.45Å; T374-S377 PolarHBondContact O-OG 3.33Å; T374-L378 WeakPolarHBondContact O-CB 3.32Å; T374-L378 VanDerWaalsContact O-CG 3.31Å; T374-L378 WeakPolarHBondContact O-CG 3.24Å; T374-L378 PolarHBondContact O-N 3.03Å; T374-I427 HydrophobicContact CG2-CG2 4.13Å; T374-L431 HydrophobicContact CG2-CD1 3.63Å
375I97.4Very high95.5Very high43 Ų4334.7 Ų34.722%0.22119%0.193CC..Hα-helixtrans-60-43.9173.8-67164.1000110.8M338 T371 S372 S377 L378 A379 S461 L462M338-I375 HydrophobicContact CE-CG2 4.37Å; T371-I375 WeakPolarHBondContact O-CD1 3.38Å; T371-I375 VanDerWaalsContact O-CG1 3.23Å; T371-I375 WeakPolarHBondContact O-CG1 3.28Å; T371-I375 PolarHBondContact O-N 2.97Å; S372-I375 PolarHBondContact O-N 3.31Å; I375-S377 PolarHBondContact O-N 3.29Å; I375-L378 PolarHBondContact O-N 2.92Å; I375-A379 WeakPolarHBondContact O-CB 3.47Å; I375-A379 PolarHBondContact O-N 2.69Å; I375-S461 WeakPolarHBondContact CG2-OG 3.09Å; I375-L462 HydrophobicContact CG2-CD2 3.91Å; I375-L462 HydrophobicContact CG2-CG 4.35Å
376G96.3Very high95.7Very high0 Ų032.8 Ų32.80%018%0.181CC..Hα-helixtrans-66.5-38.3-179.500000114.2S372 L373 T374 A379 L380S372-G376 PolarHBondContact O-N 2.97Å; L373-G376 PolarHBondContact O-N 3.31Å; T374-G376 VanDerWaalsContact C-N 3.32Å; T374-G376 PolarHBondContact O-N 2.81Å; G376-A379 PolarHBondContact O-N 2.99Å; G376-L380 WeakPolarHBondContact O-CB 3.35Å; G376-L380 PolarHBondContact O-N 3.44Å
377S96.3Very high95.6Very high1 Ų132.7 Ų32.71%0.00718%0.181CC..Hα-helixtrans-71.5-38176.546.30000112L373 T374 I375 L380 A381 I427L373-S377 WeakPolarHBondContact O-CB 3.36Å; L373-S377 PolarHBondContact O-N 3.08Å; L373-S377 PolarHBondContact O-OG 2.63Å; T374-S377 VanDerWaalsContact CA-OG 3.31Å; T374-S377 WeakPolarHBondContact CA-OG 3.37Å; T374-S377 PolarHBondContact O-N 3.45Å; T374-S377 PolarHBondContact O-OG 3.33Å; I375-S377 PolarHBondContact O-N 3.29Å; S377-L380 PolarHBondContact O-N 3.1Å; S377-A381 WeakPolarHBondContact O-CB 3.39Å; S377-A381 PolarHBondContact O-N 3.27Å; S377-I427 WeakPolarHBondContact OG-CD1 3.19Å; S377-I427 WeakPolarHBondContact OG-CG1 3.45Å
378L96.1Very high95.4Very high70 Ų7029.1 Ų29.137%0.36616%0.158SC..Hα-helixtrans-65.2-40.3171.4-71.7171.8000112.2T374 I375 A381 G382 M383 L386T374-L378 WeakPolarHBondContact O-CB 3.32Å; T374-L378 VanDerWaalsContact O-CG 3.31Å; T374-L378 WeakPolarHBondContact O-CG 3.24Å; T374-L378 PolarHBondContact O-N 3.03Å; I375-L378 PolarHBondContact O-N 2.92Å; L378-A381 PolarHBondContact O-N 3.16Å; L378-G382 PolarHBondContact O-N 2.92Å; L378-M383 HydrophobicContact CB-CB 4.12Å; L378-M383 PolarHBondContact O-N 3.29Å; L378-L386 HydrophobicContact CB-CD1 3.64Å
379A96.3Very high95.4Very high0 Ų029.5 Ų29.50%016%0.157CC..Hα-helixtrans-62.7-42.9174.400000111.2F335 I375 G376 G382 L386 G388F335-A379 HydrophobicContact CB-CB 4.01Å; F335-A379 HydrophobicContact CD1-CB 4.28Å; F335-A379 HydrophobicContact CG-CB 4.3Å; I375-A379 WeakPolarHBondContact O-CB 3.47Å; I375-A379 PolarHBondContact O-N 2.69Å; G376-A379 PolarHBondContact O-N 2.99Å; A379-G382 PolarHBondContact O-N 3.03Å; A379-L386 HydrophobicContact CB-CB 4.21Å; A379-L386 HydrophobicContact CB-CD1 4.15Å; A379-G388 WeakPolarHBondContact O-CA 3.06Å
380L95.6Very high95.3Very high2 Ų231 Ų311%0.0116%0.163CC..Hα-helixtrans-63.2-40.6174.7-176.6163.6000112.3F335 K336 L339 G376 S377 G382 K392 Y422F335-L380 HydrophobicContact CD2-CB 4.17Å; F335-L380 HydrophobicContact CE2-CB 4.17Å; F335-L380 HydrophobicContact CE2-CG 4.36Å; K336-L380 HydrophobicContact CD-CD1 4.42Å; L339-L380 HydrophobicContact CD1-CD1 3.63Å; G376-L380 WeakPolarHBondContact O-CB 3.35Å; G376-L380 PolarHBondContact O-N 3.44Å; S377-L380 PolarHBondContact O-N 3.1Å; L380-G382 PolarHBondContact O-N 2.99Å; L380-K392 PolarHBondContact O-NZ 3.31Å; L380-Y422 HydrophobicContact CD2-CE2 4.04Å
381A94.3Very high95.1Very high13 Ų1330.8 Ų30.811%0.10716%0.162CC..Hα-helixtrans-63.2-34176.400000111.5S377 L378 K392 T494S377-A381 WeakPolarHBondContact O-CB 3.39Å; S377-A381 PolarHBondContact O-N 3.27Å; L378-A381 PolarHBondContact O-N 3.16Å; A381-K392 PolarHBondContact O-NZ 3.43Å; A381-T494 WeakPolarHBondContact O-CG2 3.22Å
382G92.9Very high95.1Very high14 Ų1427.7 Ų27.714%0.14414%0.142CC..THydrogen-bonded Turntrans10232.4-179.100000113.1L378 A379 L380L378-G382 PolarHBondContact O-N 2.92Å; A379-G382 PolarHBondContact O-N 3.03Å; L380-G382 PolarHBondContact O-N 2.99Å
383M94.1Very high94.9Very high95 Ų9528.2 Ų28.247%0.46815%0.145SC..  trans-56.8135.9176.1-175.673.1-167.500110.7L378 L386 F389L378-M383 HydrophobicContact CB-CB 4.12Å; L378-M383 PolarHBondContact O-N 3.29Å; M383-L386 HydrophobicContact CB-CD1 3.91Å; M383-L386 HydrophobicContact CB-CG 4.32Å; M383-L386 HydrophobicContact CG-CD1 4.38Å; M383-L386 WeakPolarHBondContact O-CB 3.37Å; M383-L386 PolarHBondContact O-N 3.03Å; M383-F389 WeakPolarHBondContact O-CB 3.42Å
384P94.2Very high94.7Very high37 Ų3730.9 Ų30.924%0.2416%0.158CC..THydrogen-bonded Turntrans-52.7144.5-179.120.7-35000112.6L386 F389 L491P384-L386 PolarHBondContact O-N 3.5Å; P384-L386 VanDerWaalsContact O-N 3.1Å; P384-F389 HydrophobicContact CB-CD2 4.31Å; P384-F389 HydrophobicContact CB-CE2 4.44Å; P384-L491 HydrophobicContact CG-CD1 4.24Å
385F93.1Very high94.6Very high158 Ų15829.2 Ų29.269%0.69315%0.147SC*.THydrogen-bonded Turntrans67.4-11.5-177.6-49.9-70.9000116.9
386L95.6Very high94.5Very high23 Ų2327.6 Ų27.612%0.1214%0.139CC..SBendtrans-77.1162.9167.8-63-173.3000111.1L378 A379 M383 P384 G388 F389 Y390 L462L378-L386 HydrophobicContact CB-CD1 3.64Å; A379-L386 HydrophobicContact CB-CB 4.21Å; A379-L386 HydrophobicContact CB-CD1 4.15Å; M383-L386 HydrophobicContact CB-CD1 3.91Å; M383-L386 HydrophobicContact CB-CG 4.32Å; M383-L386 HydrophobicContact CG-CD1 4.38Å; M383-L386 WeakPolarHBondContact O-CB 3.37Å; M383-L386 PolarHBondContact O-N 3.03Å; P384-L386 PolarHBondContact O-N 3.5Å; P384-L386 VanDerWaalsContact O-N 3.1Å; L386-G388 PolarHBondContact O-N 3.34Å; L386-G388 VanDerWaalsContact O-N 3.15Å; L386-F389 WeakPolarHBondContact O-CB 3.37Å; L386-F389 PolarHBondContact O-N 3.05Å; L386-Y390 WeakPolarHBondContact O-CD2 3.17Å; L386-L462 HydrophobicContact CD2-CD2 3.42Å; L386-L462 VanDerWaalsContact CD2-CD2 3.42Å
387T93.3Very high94.4Very high0 Ų028.5 Ų28.50%014%0.143CC..THydrogen-bonded Turntrans-61-30.1-173.6560000114.8T331 F389 G460 S461 A464T331-T387 WeakPolarHBondContact CG2-O 3.42Å; T387-F389 VanDerWaalsContact C-N 3.32Å; T387-F389 PolarHBondContact O-N 3.39Å; T387-G460 WeakPolarHBondContact CG2-O 3.39Å; T387-S461 VanDerWaalsContact CG2-C 3.47Å; T387-S461 VanDerWaalsContact CG2-O 3.23Å; T387-S461 WeakPolarHBondContact CG2-O 3.5Å; T387-S461 PolarHBondContact N-O 2.97Å; T387-S461 PolarHBondContact OG1-O 3.07Å; T387-S461 VanDerWaalsContact OG1-O 3.11Å; T387-A464 HydrophobicContact CG2-CB 4.47Å
388G92.3Very high94.1Very high1 Ų129.8 Ų29.81%0.0115%0.151CC..THydrogen-bonded Turntrans-65.2-33.6175.800000113.4A379 L386 S391 K392A379-G388 WeakPolarHBondContact O-CA 3.06Å; L386-G388 PolarHBondContact O-N 3.34Å; L386-G388 VanDerWaalsContact O-N 3.15Å; G388-S391 PolarHBondContact O-N 3.36Å; G388-S391 PolarHBondContact O-OG 3.04Å; G388-K392 VanDerWaalsContact O-CB 3.24Å; G388-K392 WeakPolarHBondContact O-CB 3.28Å; G388-K392 PolarHBondContact O-N 3.38Å
389F94.9Very high94Very high45 Ų4526.8 Ų26.820%0.19714%0.136CC..Hα-helixtrans-59.9-50.4-178.7172.6-101000111.9M383 P384 L386 T387 S391 D393M383-F389 WeakPolarHBondContact O-CB 3.42Å; P384-F389 HydrophobicContact CB-CD2 4.31Å; P384-F389 HydrophobicContact CB-CE2 4.44Å; L386-F389 WeakPolarHBondContact O-CB 3.37Å; L386-F389 PolarHBondContact O-N 3.05Å; T387-F389 VanDerWaalsContact C-N 3.32Å; T387-F389 PolarHBondContact O-N 3.39Å; F389-S391 PolarHBondContact O-N 3.47Å; F389-D393 HydrophobicContact CD2-CB 3.8Å; F389-D393 HydrophobicContact CE2-CB 3.77Å; F389-D393 VanDerWaalsContact CE2-CG 3.42Å; F389-D393 WeakPolarHBondContact CE2-OD2 3.19Å; F389-D393 HydrophobicContact CG-CB 4.42Å; F389-D393 HydrophobicContact CZ-CB 4.37Å; F389-D393 WeakPolarHBondContact CZ-OD2 3.43Å; F389-D393 WeakPolarHBondContact O-CB 3.33Å; F389-D393 PolarHBondContact O-N 2.96Å; F389-D393 VanDerWaalsContact O-N 3.08Å
390Y93.9Very high93.8Very high34 Ų3428.2 Ų28.213%0.13314%0.143CC..Hα-helixtrans-59.4-13.2-178.5-63.9-79.9000115.3L386 H394 F466 T469L386-Y390 WeakPolarHBondContact O-CD2 3.17Å; Y390-H394 PolarHBondContact O-CD2 3.44Å; Y390-H394 VanDerWaalsContact O-CD2 3.26Å; Y390-F466 HydrophobicContact CE1-CB 4.43Å; Y390-F466 HydrophobicContact CE1-CD2 4.09Å; Y390-F466 HydrophobicContact CE2-CB 3.78Å; Y390-F466 AromaticContact CZ-CD2 3.78Å; Y390-F466 VanDerWaalsContact OH-CD2 3.23Å; Y390-F466 WeakPolarHBondContact OH-CD2 3.48Å; Y390-T469 HydrophobicContact CD1-CG2 4.04Å; Y390-T469 HydrophobicContact CG-CG2 3.96Å
391S93.9Very high93.6Very high0 Ų031.1 Ų31.10%016%0.158CC..Hα-helixtrans-110.6-60.5178.9600000110.5H328 T331 G388 F389 D393 H394 I395H328-S391 WeakPolarHBondContact ND1-CB 3.41Å; H328-S391 PolarHBondContact ND1-OG 3.06Å; T331-S391 PolarHBondContact OG1-OG 3.08Å; G388-S391 PolarHBondContact O-N 3.36Å; G388-S391 PolarHBondContact O-OG 3.04Å; F389-S391 PolarHBondContact O-N 3.47Å; S391-D393 PolarHBondContact O-N 3.44Å; S391-H394 PolarHBondContact O-N 2.97Å; S391-I395 WeakPolarHBondContact O-CD1 3.22Å; S391-I395 WeakPolarHBondContact O-CG1 3.29Å; S391-I395 PolarHBondContact O-N 2.79Å
392K94.8Very high93.3Very high5 Ų532.5 Ų32.52%0.02217%0.167CC..Hα-helixtrans-65.9-35.6-171.6-166.8-177.9-179.8-171.70112.8L312 L380 A381 G388 I395 I396 T419L312-K392 HydrophobicContact CD1-CG 4.27Å; L380-K392 PolarHBondContact O-NZ 3.31Å; A381-K392 PolarHBondContact O-NZ 3.43Å; G388-K392 VanDerWaalsContact O-CB 3.24Å; G388-K392 WeakPolarHBondContact O-CB 3.28Å; G388-K392 PolarHBondContact O-N 3.38Å; K392-I395 PolarHBondContact O-N 3.29Å; K392-I396 HydrophobicContact CG-CD1 4.29Å; K392-I396 WeakPolarHBondContact O-CG1 3.47Å; K392-I396 PolarHBondContact O-N 2.98Å; K392-I396 VanDerWaalsContact O-N 3.13Å; K392-T419 PolarHBondContact NZ-OG1 3.21Å
393D94.3Very high93.2Very high12 Ų1243.6 Ų43.66%0.06421%0.206CC..Hα-helixtrans-65.4-51.7177.9-162.954.1000110.3F389 S391 I395 I396 E397 K487 A490F389-D393 HydrophobicContact CD2-CB 3.8Å; F389-D393 HydrophobicContact CE2-CB 3.77Å; F389-D393 VanDerWaalsContact CE2-CG 3.42Å; F389-D393 WeakPolarHBondContact CE2-OD2 3.19Å; F389-D393 HydrophobicContact CG-CB 4.42Å; F389-D393 HydrophobicContact CZ-CB 4.37Å; F389-D393 WeakPolarHBondContact CZ-OD2 3.43Å; F389-D393 WeakPolarHBondContact O-CB 3.33Å; F389-D393 PolarHBondContact O-N 2.96Å; F389-D393 VanDerWaalsContact O-N 3.08Å; S391-D393 PolarHBondContact O-N 3.44Å; D393-I395 VanDerWaalsContact C-N 3.28Å; D393-I395 PolarHBondContact O-N 3.27Å; D393-I396 PolarHBondContact O-N 2.93Å; D393-I396 VanDerWaalsContact O-N 3.09Å; D393-E397 WeakPolarHBondContact O-CG 3.23Å; D393-E397 PolarHBondContact O-N 3.1Å; D393-E397 VanDerWaalsContact OD2-OE1 3.1Å; D393-K487 IonicContact OD2-NZ 2.78Å; D393-A490 WeakPolarHBondContact OD1-CB 3.45Å
394H92.5Very high93Very high57 Ų5740.9 Ų40.926%0.26420%0.195SC..Hα-helixtrans-61.8-33.2176.2-70.2-41.5000113.6L324 Y390 S391 E397 T398L324-H394 HydrophobicContact CD1-CB 4.5Å; L324-H394 HydrophobicContact CD2-CB 4.09Å; Y390-H394 PolarHBondContact O-CD2 3.44Å; Y390-H394 VanDerWaalsContact O-CD2 3.26Å; S391-H394 PolarHBondContact O-N 2.97Å; H394-E397 IonicContact CE1-OE2 2.87Å; H394-E397 IonicContact ND1-OE2 2.82Å; H394-E397 PolarHBondContact ND1-OE2 3.34Å; H394-E397 PolarHBondContact O-N 2.69Å; H394-T398 WeakPolarHBondContact O-CB 3.43Å; H394-T398 VanDerWaalsContact O-CG2 3.32Å; H394-T398 WeakPolarHBondContact O-CG2 3.4Å; H394-T398 PolarHBondContact O-N 3.3Å; H394-T398 PolarHBondContact O-OG1 3.4Å
395I94.9Very high93Very high4 Ų442.7 Ų42.72%0.02120%0.202CC..Hα-helixtrans-62.4-46173.6-72.7167.6000111.1L312 T316 L324 H328 S391 K392 D393 T398 A399L312-I395 HydrophobicContact CD2-CB 4.48Å; L312-I395 HydrophobicContact CD2-CD1 3.65Å; L312-I395 HydrophobicContact CD2-CG2 3.83Å; L312-I395 HydrophobicContact CG-CG2 4.1Å; T316-I395 HydrophobicContact CG2-CB 3.8Å; T316-I395 HydrophobicContact CG2-CD1 3.63Å; T316-I395 HydrophobicContact CG2-CG1 3.38Å; T316-I395 HydrophobicContact CG2-CG2 3.18Å; L324-I395 HydrophobicContact CB-CG1 4.27Å; H328-I395 HydrophobicContact CB-CD1 3.76Å; S391-I395 WeakPolarHBondContact O-CD1 3.22Å; S391-I395 WeakPolarHBondContact O-CG1 3.29Å; S391-I395 PolarHBondContact O-N 2.79Å; K392-I395 PolarHBondContact O-N 3.29Å; D393-I395 VanDerWaalsContact C-N 3.28Å; D393-I395 PolarHBondContact O-N 3.27Å; I395-T398 PolarHBondContact O-OG1 3.39Å; I395-A399 VanDerWaalsContact O-CB 3.29Å; I395-A399 WeakPolarHBondContact O-CB 3.2Å; I395-A399 PolarHBondContact O-N 3.37Å
396I94.6Very high93Very high9 Ų938.7 Ų38.75%0.04620%0.198CC..Hα-helixtrans-69.8-38.2-179.9-66.7164.5000110.6K392 D393 A399 N400 L413 T416 A490K392-I396 HydrophobicContact CG-CD1 4.29Å; K392-I396 WeakPolarHBondContact O-CG1 3.47Å; K392-I396 PolarHBondContact O-N 2.98Å; K392-I396 VanDerWaalsContact O-N 3.13Å; D393-I396 PolarHBondContact O-N 2.93Å; D393-I396 VanDerWaalsContact O-N 3.09Å; I396-A399 PolarHBondContact O-N 3.18Å; I396-N400 WeakPolarHBondContact O-CB 3.49Å; I396-N400 VanDerWaalsContact O-CG 3.24Å; I396-N400 PolarHBondContact O-N 2.95Å; I396-N400 PolarHBondContact O-ND2 3.15Å; I396-L413 HydrophobicContact CG2-CD2 3.77Å; I396-T416 HydrophobicContact CD1-CG2 3.74Å; I396-T416 HydrophobicContact CG1-CG2 4.42Å; I396-A490 HydrophobicContact CB-CB 4.14Å; I396-A490 HydrophobicContact CD1-CB 3.54Å; I396-A490 HydrophobicContact CG1-CB 4.45Å; I396-A490 HydrophobicContact CG2-CB 4.06Å
397E93.7Very high93.1Very high19 Ų1943.5 Ų43.59%0.08922%0.215CC..Hα-helixtrans-60.8-50.6175-73.6169179.600112.5D393 H394 A399 N400 M401 I482 K487D393-E397 WeakPolarHBondContact O-CG 3.23Å; D393-E397 PolarHBondContact O-N 3.1Å; D393-E397 VanDerWaalsContact OD2-OE1 3.1Å; H394-E397 IonicContact CE1-OE2 2.87Å; H394-E397 IonicContact ND1-OE2 2.82Å; H394-E397 PolarHBondContact ND1-OE2 3.34Å; H394-E397 PolarHBondContact O-N 2.69Å; E397-A399 VanDerWaalsContact C-N 3.31Å; E397-A399 PolarHBondContact O-N 3.44Å; E397-N400 PolarHBondContact O-N 3.41Å; E397-M401 WeakPolarHBondContact O-CG 3.42Å; E397-M401 PolarHBondContact O-N 3.19Å; E397-M401 VanDerWaalsContact O-N 3.08Å; E397-I482 HydrophobicContact CG-CD1 4.11Å; E397-K487 VanDerWaalsContact CD-NZ 3.34Å; E397-K487 WeakPolarHBondContact OE1-CD 3.37Å; E397-K487 WeakPolarHBondContact OE1-CE 3.49Å; E397-K487 IonicContact OE1-NZ 3.24Å; E397-K487 PolarHBondContact OE1-NZ 2.81Å; E397-K487 IonicContact OE2-NZ 2.65Å; E397-K487 PolarHBondContact OE2-NZ 3.17Å
398T92.1Very high93.2Very high28 Ų2843.6 Ų43.617%0.17222%0.216CC..Hα-helixtrans-64.5-37.5178.650.40000111.3L324 H394 I395 M401 S402L324-T398 HydrophobicContact CD1-CG2 3.78Å; H394-T398 WeakPolarHBondContact O-CB 3.43Å; H394-T398 VanDerWaalsContact O-CG2 3.32Å; H394-T398 WeakPolarHBondContact O-CG2 3.4Å; H394-T398 PolarHBondContact O-N 3.3Å; H394-T398 PolarHBondContact O-OG1 3.4Å; I395-T398 PolarHBondContact O-OG1 3.39Å; T398-M401 PolarHBondContact O-N 3.05Å; T398-S402 VanDerWaalsContact O-CB 3.28Å; T398-S402 WeakPolarHBondContact O-CB 3.35Å; T398-S402 PolarHBondContact O-N 3.37Å; T398-S402 PolarHBondContact O-OG 3.23Å
399A92.4Very high93.4Very high6 Ų645.1 Ų45.15%0.0522%0.224CC..Hα-helixtrans-63.5-43.3174.300000112.6I319 I395 I396 E397 M401 S402 T404 L409I319-A399 HydrophobicContact CD1-CB 4.2Å; I395-A399 VanDerWaalsContact O-CB 3.29Å; I395-A399 WeakPolarHBondContact O-CB 3.2Å; I395-A399 PolarHBondContact O-N 3.37Å; I396-A399 PolarHBondContact O-N 3.18Å; E397-A399 VanDerWaalsContact C-N 3.31Å; E397-A399 PolarHBondContact O-N 3.44Å; A399-M401 VanDerWaalsContact C-N 3.31Å; A399-M401 PolarHBondContact O-N 3.16Å; A399-S402 PolarHBondContact O-OG 2.94Å; A399-T404 PolarHBondContact O-OG1 2.95Å; A399-L409 VanDerWaalsContact C-CD1 3.45Å; A399-L409 HydrophobicContact CB-CD1 4.21Å; A399-L409 WeakPolarHBondContact O-CD1 3.43Å
400N92.8Very high93.4Very high30 Ų3045.4 Ų45.416%0.1623%0.231CC..Hα-helixtrans-66.4-30.8179-76.2-25.1000113.4I396 E397 L409 L486 T489I396-N400 WeakPolarHBondContact O-CB 3.49Å; I396-N400 VanDerWaalsContact O-CG 3.24Å; I396-N400 PolarHBondContact O-N 2.95Å; I396-N400 PolarHBondContact O-ND2 3.15Å; E397-N400 PolarHBondContact O-N 3.41Å; N400-L409 WeakPolarHBondContact OD1-CD1 3.22Å; N400-L486 HydrophobicContact CB-CD2 4.25Å; N400-T489 PolarHBondContact ND2-OG1 2.78Å
401M90.9Very high93.5Very high63 Ų6344.5 Ų44.531%0.3123%0.228SC..Hα-helixtrans-93.9-20.1-176.4-66.8-58.4-62.300114.1E397 T398 A399 I482 L486E397-M401 WeakPolarHBondContact O-CG 3.42Å; E397-M401 PolarHBondContact O-N 3.19Å; E397-M401 VanDerWaalsContact O-N 3.08Å; T398-M401 PolarHBondContact O-N 3.05Å; A399-M401 VanDerWaalsContact C-N 3.31Å; A399-M401 PolarHBondContact O-N 3.16Å; M401-I482 HydrophobicContact CE-CG2 3.91Å; M401-I482 HydrophobicContact CG-CG2 3.48Å; M401-I482 VanDerWaalsContact CG-CG2 3.48Å; M401-I482 HydrophobicContact SD-CB 4.34Å; M401-I482 HydrophobicContact SD-CG2 3.53Å; M401-I482 VanDerWaalsContact SD-CG2 3.53Å; M401-L486 HydrophobicContact SD-CD1 3.67Å
402S88.8Confident93.7Very high42 Ų4245.1 Ų45.129%0.29423%0.232SC..SBendtrans-82.6157.6179.9480000111.9T398 A399 T404T398-S402 VanDerWaalsContact O-CB 3.28Å; T398-S402 WeakPolarHBondContact O-CB 3.35Å; T398-S402 PolarHBondContact O-N 3.37Å; T398-S402 PolarHBondContact O-OG 3.23Å; A399-S402 PolarHBondContact O-OG 2.94Å; S402-T404 PolarHBondContact O-N 3.26Å; S402-T404 WeakPolarHBondContact OG-CG2 3.43Å
403Y89.6Confident93.8Very high247 Ų24746.5 Ų46.597%0.96924%0.24SC*.SBendtrans-71.579.8173.7-174.3-101.5000109.9
404T89.8Confident93.9Very high38 Ų3850 Ų5023%0.23326%0.258CS..  trans-109.3159.2-174.758.10000111.6I319 A399 S402 A406I319-T404 HydrophobicContact CB-CG2 4.36Å; I319-T404 HydrophobicContact CG2-CG2 3.44Å; I319-T404 VanDerWaalsContact CG2-CG2 3.44Å; A399-T404 PolarHBondContact O-OG1 2.95Å; S402-T404 PolarHBondContact O-N 3.26Å; S402-T404 WeakPolarHBondContact OG-CG2 3.43Å; T404-A406 PolarHBondContact O-N 3.46Å; T404-A406 VanDerWaalsContact O-N 3.11Å
405N94.2Very high94.1Very high75 Ų7547.4 Ų47.440%0.40125%0.246SC..  trans-64.4114.4170.5-175.9-7.6000109.4L278 W407 A408 L409L278-N405 HydrophobicContact CD2-CB 3.79Å; N405-W407 PolarHBondContact O-N 3.1Å; N405-W407 VanDerWaalsContact O-N 3.12Å; N405-W407 WeakPolarHBondContact OD1-CB 3.27Å; N405-W407 PolarHBondContact OD1-N 3.37Å; N405-W407 VanDerWaalsContact OD1-N 3.13Å; N405-A408 HydrophobicContact CB-CB 4.19Å; N405-A408 WeakPolarHBondContact O-CB 3.17Å; N405-A408 PolarHBondContact O-N 3.26Å; N405-L409 PolarHBondContact O-N 3.25Å
406A94.6Very high94.2Very high74 Ų7447.4 Ų47.461%0.61225%0.246SC*.Hα-helixtrans-54.4-33.6-179.100000112.9T404 L409 S410T404-A406 PolarHBondContact O-N 3.46Å; T404-A406 VanDerWaalsContact O-N 3.11Å; A406-L409 PolarHBondContact O-N 2.98Å; A406-S410 WeakPolarHBondContact O-CB 3.38Å; A406-S410 PolarHBondContact O-N 3.1Å; A406-S410 PolarHBondContact O-OG 2.93Å
407W96.2Very high94.3Very high124 Ų12447.7 Ų47.747%0.4725%0.249SC..Hα-helixtrans-64.3-49.4176177.981.1000111.8I283 N405 L409 S410 I411I283-W407 HydrophobicContact CD1-CH2 3.78Å; I283-W407 HydrophobicContact CD1-CZ3 4.23Å; I283-W407 HydrophobicContact CG1-CH2 3.42Å; I283-W407 VanDerWaalsContact CG1-CH2 3.42Å; I283-W407 HydrophobicContact CG1-CZ2 4.47Å; I283-W407 HydrophobicContact CG1-CZ3 3.93Å; N405-W407 PolarHBondContact O-N 3.1Å; N405-W407 VanDerWaalsContact O-N 3.12Å; N405-W407 WeakPolarHBondContact OD1-CB 3.27Å; N405-W407 PolarHBondContact OD1-N 3.37Å; N405-W407 VanDerWaalsContact OD1-N 3.13Å; W407-L409 VanDerWaalsContact C-N 3.29Å; W407-L409 PolarHBondContact O-N 3.18Å; W407-S410 PolarHBondContact O-N 3.43Å; W407-S410 PolarHBondContact O-OG 3.15Å; W407-I411 HydrophobicContact CD2-CD1 3.63Å; W407-I411 HydrophobicContact CE3-CD1 4.05Å; W407-I411 HydrophobicContact CG-CD1 4.31Å; W407-I411 HydrophobicContact CH2-CD1 3.69Å; W407-I411 HydrophobicContact CZ2-CD1 3.18Å; W407-I411 HydrophobicContact CZ3-CD1 4.07Å; W407-I411 WeakPolarHBondContact O-CG1 3.21Å; W407-I411 PolarHBondContact O-N 2.8Å
408A96.1Very high94.5Very high2 Ų248.2 Ų48.22%0.01725%0.252CS..Hα-helixtrans-60-43.2178.100000110.9L278 A282 N405 I411 T412L278-A408 HydrophobicContact CD2-CB 3.53Å; L278-A408 HydrophobicContact CG-CB 3.89Å; A282-A408 HydrophobicContact CB-CB 3.78Å; N405-A408 HydrophobicContact CB-CB 4.19Å; N405-A408 WeakPolarHBondContact O-CB 3.17Å; N405-A408 PolarHBondContact O-N 3.26Å; A408-I411 PolarHBondContact O-N 3.05Å; A408-T412 WeakPolarHBondContact O-CG2 3.32Å; A408-T412 PolarHBondContact O-N 2.72Å; A408-T412 PolarHBondContact O-OG1 3.45Å
409L95.8Very high94.7Very high34 Ų3447 Ų4718%0.17825%0.245CC..Hα-helixtrans-59.6-51.2176.1-173.3130.2000112.3A399 N400 N405 A406 W407 I411 T412 L413A399-L409 VanDerWaalsContact C-CD1 3.45Å; A399-L409 HydrophobicContact CB-CD1 4.21Å; A399-L409 WeakPolarHBondContact O-CD1 3.43Å; N400-L409 WeakPolarHBondContact OD1-CD1 3.22Å; N405-L409 PolarHBondContact O-N 3.25Å; A406-L409 PolarHBondContact O-N 2.98Å; W407-L409 VanDerWaalsContact C-N 3.29Å; W407-L409 PolarHBondContact O-N 3.18Å; L409-I411 VanDerWaalsContact C-N 3.26Å; L409-I411 PolarHBondContact O-N 3.2Å; L409-T412 WeakPolarHBondContact CA-OG1 3.33Å; L409-T412 PolarHBondContact O-N 3.43Å; L409-T412 VanDerWaalsContact O-N 3.1Å; L409-T412 PolarHBondContact O-OG1 2.95Å; L409-L413 HydrophobicContact CD2-CD1 3.77Å; L409-L413 HydrophobicContact CD2-CG 4.46Å; L409-L413 PolarHBondContact O-N 2.97Å
410S95.9Very high94.9Very high51 Ų5146.9 Ų46.936%0.35724%0.243SC..Hα-helixtrans-57.6-40.5179.569.40000112.4A406 W407 L413 I414A406-S410 WeakPolarHBondContact O-CB 3.38Å; A406-S410 PolarHBondContact O-N 3.1Å; A406-S410 PolarHBondContact O-OG 2.93Å; W407-S410 PolarHBondContact O-N 3.43Å; W407-S410 PolarHBondContact O-OG 3.15Å; S410-L413 PolarHBondContact O-N 3.47Å; S410-I414 WeakPolarHBondContact O-CG1 3.27Å; S410-I414 PolarHBondContact O-N 3.42Å
411I96.4Very high95Very high14 Ų1445.8 Ų45.87%0.07224%0.239CC..Hα-helixtrans-66.1-42.6177.2-73.8-178.1000111.4A282 L286 W407 A408 L409 L413 I414 A415A282-I411 HydrophobicContact CB-CG2 4.31Å; A282-I411 VanDerWaalsContact O-CG2 3.23Å; A282-I411 WeakPolarHBondContact O-CG2 3.43Å; L286-I411 HydrophobicContact CB-CG2 3.51Å; L286-I411 HydrophobicContact CD1-CG2 4.29Å; L286-I411 HydrophobicContact CD2-CD1 4.43Å; L286-I411 HydrophobicContact CD2-CG1 4.45Å; L286-I411 HydrophobicContact CD2-CG2 3.88Å; L286-I411 HydrophobicContact CG-CG2 4.08Å; W407-I411 HydrophobicContact CD2-CD1 3.63Å; W407-I411 HydrophobicContact CE3-CD1 4.05Å; W407-I411 HydrophobicContact CG-CD1 4.31Å; W407-I411 HydrophobicContact CH2-CD1 3.69Å; W407-I411 HydrophobicContact CZ2-CD1 3.18Å; W407-I411 HydrophobicContact CZ3-CD1 4.07Å; W407-I411 WeakPolarHBondContact O-CG1 3.21Å; W407-I411 PolarHBondContact O-N 2.8Å; A408-I411 PolarHBondContact O-N 3.05Å; L409-I411 VanDerWaalsContact C-N 3.26Å; L409-I411 PolarHBondContact O-N 3.2Å; I411-L413 VanDerWaalsContact C-N 3.33Å; I411-L413 PolarHBondContact O-N 3.5Å; I411-I414 PolarHBondContact O-N 2.92Å; I411-A415 WeakPolarHBondContact O-CB 3.28Å; I411-A415 PolarHBondContact O-N 3.31Å
412T96.9Very high95.3Very high13 Ų1342.9 Ų42.98%0.0822%0.224CC..Hα-helixtrans-64.2-39.2178.459.90000111.8A282 V315 A408 L409 A415 T416A282-T412 HydrophobicContact CB-CG2 4.01Å; V315-T412 HydrophobicContact CB-CG2 4.42Å; V315-T412 HydrophobicContact CG1-CG2 4.05Å; V315-T412 HydrophobicContact CG2-CG2 3.74Å; A408-T412 WeakPolarHBondContact O-CG2 3.32Å; A408-T412 PolarHBondContact O-N 2.72Å; A408-T412 PolarHBondContact O-OG1 3.45Å; L409-T412 WeakPolarHBondContact CA-OG1 3.33Å; L409-T412 PolarHBondContact O-N 3.43Å; L409-T412 VanDerWaalsContact O-N 3.1Å; L409-T412 PolarHBondContact O-OG1 2.95Å; T412-A415 PolarHBondContact O-N 3.09Å; T412-T416 WeakPolarHBondContact O-CG2 2.93Å; T412-T416 PolarHBondContact O-N 3.5Å
413L96.6Very high95.6Very high34 Ų3441 Ų4118%0.17821%0.212CC..Hα-helixtrans-62.1-47.3173.1-67.5175.7000111I396 L409 S410 I411 A415 T416 S417 V493I396-L413 HydrophobicContact CG2-CD2 3.77Å; L409-L413 HydrophobicContact CD2-CD1 3.77Å; L409-L413 HydrophobicContact CD2-CG 4.46Å; L409-L413 PolarHBondContact O-N 2.97Å; S410-L413 PolarHBondContact O-N 3.47Å; I411-L413 VanDerWaalsContact C-N 3.33Å; I411-L413 PolarHBondContact O-N 3.5Å; L413-A415 VanDerWaalsContact C-N 3.32Å; L413-A415 PolarHBondContact O-N 2.74Å; L413-T416 PolarHBondContact O-N 2.95Å; L413-T416 VanDerWaalsContact O-N 3.11Å; L413-T416 PolarHBondContact O-OG1 3.47Å; L413-S417 PolarHBondContact O-N 3.4Å; L413-S417 VanDerWaalsContact O-N 3.1Å; L413-V493 WeakPolarHBondContact O-CG1 3.4Å
414I97.5Very high95.9Very high87 Ų8729.8 Ų29.845%0.44617%0.169SC..Hα-helixtrans-57.6-46.6174.8-65.6164000110.4L286 S410 I411 T416 S417 L418L286-I414 HydrophobicContact CD1-CB 4.3Å; L286-I414 HydrophobicContact CD1-CG2 3.77Å; S410-I414 WeakPolarHBondContact O-CG1 3.27Å; S410-I414 PolarHBondContact O-N 3.42Å; I411-I414 PolarHBondContact O-N 2.92Å; I414-T416 VanDerWaalsContact C-N 3.29Å; I414-T416 PolarHBondContact O-N 2.59Å; I414-S417 WeakPolarHBondContact O-CB 3.26Å; I414-S417 PolarHBondContact O-N 3.39Å; I414-S417 VanDerWaalsContact O-N 3.09Å; I414-S417 PolarHBondContact O-OG 2.88Å; I414-L418 HydrophobicContact CG2-CD1 4.38Å; I414-L418 HydrophobicContact CG2-CG 4.44Å; I414-L418 WeakPolarHBondContact O-CG 3.31Å; I414-L418 PolarHBondContact O-N 3.22Å
415A96.9Very high96.2Very high2 Ų230.3 Ų30.32%0.01717%0.166CC..Hα-helixtrans-58.7-39.3177.500000112.1I411 T412 L413 S417 L418 T419I411-A415 WeakPolarHBondContact O-CB 3.28Å; I411-A415 PolarHBondContact O-N 3.31Å; T412-A415 PolarHBondContact O-N 3.09Å; L413-A415 VanDerWaalsContact C-N 3.32Å; L413-A415 PolarHBondContact O-N 2.74Å; A415-S417 PolarHBondContact O-N 3.01Å; A415-L418 PolarHBondContact O-N 3.19Å; A415-L418 VanDerWaalsContact O-N 3.17Å; A415-T419 WeakPolarHBondContact O-CG2 3.18Å; A415-T419 PolarHBondContact O-N 3.35Å
416T96.3Very high96.3Very high3 Ų326.8 Ų26.82%0.01815%0.147CC..Hα-helixtrans-63.8-37.7175.666.30000112.5L312 I396 T412 L413 I414 T419 S420 V493L312-T416 HydrophobicContact CD1-CG2 4.29Å; I396-T416 HydrophobicContact CD1-CG2 3.74Å; I396-T416 HydrophobicContact CG1-CG2 4.42Å; T412-T416 WeakPolarHBondContact O-CG2 2.93Å; T412-T416 PolarHBondContact O-N 3.5Å; L413-T416 PolarHBondContact O-N 2.95Å; L413-T416 VanDerWaalsContact O-N 3.11Å; L413-T416 PolarHBondContact O-OG1 3.47Å; I414-T416 VanDerWaalsContact C-N 3.29Å; I414-T416 PolarHBondContact O-N 2.59Å; T416-T419 PolarHBondContact O-N 2.87Å; T416-T419 PolarHBondContact O-OG1 3.43Å; T416-S420 PolarHBondContact O-N 3.33Å; T416-V493 VanDerWaalsContact OG1-CG1 3.26Å; T416-V493 WeakPolarHBondContact OG1-CG1 3.2Å
417S97.2Very high96.3Very high16 Ų1624.7 Ų24.711%0.11213%0.126CC..Hα-helixtrans-64.4-40.617274.90000112L413 I414 A415 T419 S420 A421 G497L413-S417 PolarHBondContact O-N 3.4Å; L413-S417 VanDerWaalsContact O-N 3.1Å; I414-S417 WeakPolarHBondContact O-CB 3.26Å; I414-S417 PolarHBondContact O-N 3.39Å; I414-S417 VanDerWaalsContact O-N 3.09Å; I414-S417 PolarHBondContact O-OG 2.88Å; A415-S417 PolarHBondContact O-N 3.01Å; S417-T419 PolarHBondContact O-N 3.35Å; S417-S420 PolarHBondContact O-N 2.98Å; S417-S420 PolarHBondContact O-OG 2.78Å; S417-A421 PolarHBondContact O-N 2.92Å; S417-A421 VanDerWaalsContact O-N 3.08Å; S417-G497 WeakPolarHBondContact O-CA 3.28Å
418L96.8Very high96.2Very high30 Ų3020.8 Ų20.816%0.15711%0.114CC..Hα-helixtrans-66.3-29.8177.3-64-175.4000111.3L286 A289 V290 L293 I414 A415 A421 Y422L286-L418 HydrophobicContact CD1-CD1 4.36Å; A289-L418 HydrophobicContact CB-CB 3.72Å; A289-L418 HydrophobicContact CB-CD1 4.04Å; V290-L418 HydrophobicContact CG2-CD1 3.69Å; L293-L418 HydrophobicContact CD1-CD1 4.39Å; L293-L418 HydrophobicContact CD1-CD2 3.85Å; L293-L418 HydrophobicContact CD2-CD2 4.49Å; I414-L418 HydrophobicContact CG2-CD1 4.38Å; I414-L418 HydrophobicContact CG2-CG 4.44Å; I414-L418 WeakPolarHBondContact O-CG 3.31Å; I414-L418 PolarHBondContact O-N 3.22Å; A415-L418 PolarHBondContact O-N 3.19Å; A415-L418 VanDerWaalsContact O-N 3.17Å; L418-A421 PolarHBondContact O-N 2.98Å; L418-Y422 WeakPolarHBondContact O-CD1 3.28Å; L418-Y422 PolarHBondContact O-N 3.03Å
419T96.8Very high96.2Very high3 Ų322.6 Ų22.62%0.01812%0.123CC..Hα-helixtrans-61.6-43.1175.270.50000113.5K392 A415 T416 S417 Y422 S423K392-T419 PolarHBondContact NZ-OG1 3.21Å; A415-T419 WeakPolarHBondContact O-CG2 3.18Å; A415-T419 PolarHBondContact O-N 3.35Å; T416-T419 PolarHBondContact O-N 2.87Å; T416-T419 PolarHBondContact O-OG1 3.43Å; S417-T419 PolarHBondContact O-N 3.35Å; T419-Y422 VanDerWaalsContact CA-CZ 3.47Å; T419-Y422 WeakPolarHBondContact CB-OH 3.41Å; T419-Y422 HydrophobicContact CG2-CE1 3.99Å; T419-Y422 VanDerWaalsContact CG2-OH 3.22Å; T419-Y422 WeakPolarHBondContact CG2-OH 3.26Å; T419-S423 VanDerWaalsContact O-CB 3.29Å; T419-S423 WeakPolarHBondContact O-CB 3.28Å; T419-S423 PolarHBondContact O-N 3.19Å; T419-S423 PolarHBondContact O-OG 3.3Å
420S96.1Very high96.1Very high2 Ų221 Ų211%0.01411%0.114CC..Hα-helixtrans-68.7-39.717358.10000110.5T416 S417 S423 T424 T494 G497 L498T416-S420 PolarHBondContact O-N 3.33Å; S417-S420 PolarHBondContact O-N 2.98Å; S417-S420 PolarHBondContact O-OG 2.78Å; S420-S423 WeakPolarHBondContact CA-OG 3.44Å; S420-S423 PolarHBondContact O-N 3.24Å; S420-S423 PolarHBondContact O-OG 3.03Å; S420-T424 VanDerWaalsContact O-CG2 3.29Å; S420-T424 WeakPolarHBondContact O-CG2 3.4Å; S420-T424 PolarHBondContact O-N 2.9Å; S420-T424 PolarHBondContact O-OG1 2.98Å; S420-T424 VanDerWaalsContact O-OG1 3.06Å; S420-T494 VanDerWaalsContact CB-O 3.29Å; S420-T494 WeakPolarHBondContact CB-O 3.4Å; S420-T494 PolarHBondContact OG-O 3.2Å; S420-G497 VanDerWaalsContact OG-CA 3.25Å; S420-G497 WeakPolarHBondContact OG-CA 3.49Å; S420-L498 PolarHBondContact OG-N 3.3Å
421A96.8Very high96.1Very high8 Ų818.6 Ų18.67%0.06610%0.098CC..Hα-helixtrans-61.2-47.4-178.900000114.8L293 S417 L418 S423 T424 R425 G497 A501L293-A421 HydrophobicContact CD2-CB 3.97Å; S417-A421 PolarHBondContact O-N 2.92Å; S417-A421 VanDerWaalsContact O-N 3.08Å; L418-A421 PolarHBondContact O-N 2.98Å; A421-S423 VanDerWaalsContact C-N 3.33Å; A421-T424 PolarHBondContact O-OG1 3.19Å; A421-R425 WeakPolarHBondContact O-CB 3.44Å; A421-R425 PolarHBondContact O-N 2.88Å; A421-R425 VanDerWaalsContact O-N 3.11Å; A421-G497 WeakPolarHBondContact CA-O 3.49Å; A421-A501 HydrophobicContact CB-CB 3.97Å; A421-A501 WeakPolarHBondContact O-CB 2.97Å
422Y96.2Very high96Very high1 Ų120.6 Ų20.60%0.00411%0.111CC..Hα-helixtrans-72.6-28.7176.764-116.5000112.1A289 A292 I301 S305 L380 L418 T419 M426A289-Y422 HydrophobicContact CB-CE1 4.07Å; A292-Y422 HydrophobicContact CB-CD1 3.64Å; A292-Y422 HydrophobicContact CB-CE1 4.1Å; A292-Y422 HydrophobicContact CB-CG 3.88Å; I301-Y422 HydrophobicContact CG2-CD2 4.45Å; S305-Y422 VanDerWaalsContact CB-CE2 3.4Å; S305-Y422 WeakPolarHBondContact CB-OH 3.49Å; L380-Y422 HydrophobicContact CD2-CE2 4.04Å; L418-Y422 WeakPolarHBondContact O-CD1 3.28Å; L418-Y422 PolarHBondContact O-N 3.03Å; T419-Y422 VanDerWaalsContact CA-CZ 3.47Å; T419-Y422 WeakPolarHBondContact CB-OH 3.41Å; T419-Y422 HydrophobicContact CG2-CE1 3.99Å; T419-Y422 VanDerWaalsContact CG2-OH 3.22Å; T419-Y422 WeakPolarHBondContact CG2-OH 3.26Å; Y422-M426 PolarHBondContact O-N 3.16Å
423S95.7Very high95.6Very high4 Ų422.5 Ų22.53%0.02813%0.133CC..Hα-helixtrans-68.3-42.4178.175.70000111.5T419 S420 A421 M426 I427T419-S423 VanDerWaalsContact O-CB 3.29Å; T419-S423 WeakPolarHBondContact O-CB 3.28Å; T419-S423 PolarHBondContact O-N 3.19Å; T419-S423 PolarHBondContact O-OG 3.3Å; S420-S423 WeakPolarHBondContact CA-OG 3.44Å; S420-S423 PolarHBondContact O-N 3.24Å; S420-S423 PolarHBondContact O-OG 3.03Å; A421-S423 VanDerWaalsContact C-N 3.33Å; S423-M426 WeakPolarHBondContact O-CB 3.32Å; S423-M426 PolarHBondContact O-N 3.08Å; S423-I427 WeakPolarHBondContact O-CG1 3.35Å; S423-I427 PolarHBondContact O-N 3.05Å
424T95.4Very high95.4Very high11 Ų1128.2 Ų28.27%0.06716%0.159CC..Hα-helixtrans-71.1-37.5177.555.40000111.2S420 A421 M426 I427 L428 L498 A501S420-T424 VanDerWaalsContact O-CG2 3.29Å; S420-T424 WeakPolarHBondContact O-CG2 3.4Å; S420-T424 PolarHBondContact O-N 2.9Å; S420-T424 PolarHBondContact O-OG1 2.98Å; S420-T424 VanDerWaalsContact O-OG1 3.06Å; A421-T424 PolarHBondContact O-OG1 3.19Å; T424-M426 VanDerWaalsContact C-N 3.33Å; T424-M426 PolarHBondContact O-N 3.48Å; T424-I427 PolarHBondContact O-N 3.35Å; T424-L428 WeakPolarHBondContact O-CB 3.37Å; T424-L428 WeakPolarHBondContact O-CG 3.43Å; T424-L428 PolarHBondContact O-N 3.09Å; T424-L498 HydrophobicContact CG2-CB 4.18Å; T424-L498 HydrophobicContact CG2-CD1 3.95Å; T424-L498 HydrophobicContact CG2-CG 3.77Å; T424-A501 WeakPolarHBondContact OG1-CB 3.47Å
425R95.6Very high95.2Very high48 Ų4827.4 Ų27.418%0.18116%0.159CC..Hα-helixtrans-55.4-47.5169.2172.8-177.7160.6128.7-5.9111.7L293 T294 Q295 N296 A421 L428 L429L293-R425 WeakPolarHBondContact O-CD 3.5Å; L293-R425 PolarHBondContact O-NE 2.93Å; L293-R425 PolarHBondContact O-NH1 3.03Å; T294-R425 PolarHBondContact O-NH2 2.69Å; Q295-R425 PolarHBondContact O-NH2 2.66Å; N296-R425 PolarHBondContact OD1-NH2 2.94Å; N296-R425 VanDerWaalsContact OD1-NH2 3.13Å; A421-R425 WeakPolarHBondContact O-CB 3.44Å; A421-R425 PolarHBondContact O-N 2.88Å; A421-R425 VanDerWaalsContact O-N 3.11Å; R425-L428 PolarHBondContact O-N 3.42Å; R425-L429 HydrophobicContact CG-CD1 3.8Å; R425-L429 WeakPolarHBondContact O-CB 3.47Å; R425-L429 PolarHBondContact O-N 3.1Å
426M95.6Very high95.1Very high1 Ų132.1 Ų32.11%0.00518%0.177CC..Hα-helixtrans-59.3-50.2178.1-172.9-156.8-46.800110.8I298 I301 V302 L373 Y422 S423 T424 L428 T430I298-M426 HydrophobicContact CG1-CG 4.35Å; I298-M426 HydrophobicContact CG1-SD 4.45Å; I301-M426 HydrophobicContact CG2-CE 3.91Å; V302-M426 HydrophobicContact CG2-CE 4.01Å; V302-M426 HydrophobicContact CG2-SD 4.44Å; L373-M426 HydrophobicContact CD1-SD 4.29Å; Y422-M426 PolarHBondContact O-N 3.16Å; S423-M426 WeakPolarHBondContact O-CB 3.32Å; S423-M426 PolarHBondContact O-N 3.08Å; T424-M426 VanDerWaalsContact C-N 3.33Å; T424-M426 PolarHBondContact O-N 3.48Å; M426-L428 PolarHBondContact O-N 3.03Å; M426-T430 HydrophobicContact CG-CG2 4.44Å; M426-T430 VanDerWaalsContact O-CB 3.32Å; M426-T430 WeakPolarHBondContact O-CB 3.44Å; M426-T430 VanDerWaalsContact O-CG2 3.23Å; M426-T430 WeakPolarHBondContact O-CG2 3.47Å; M426-T430 PolarHBondContact O-N 3.5Å; M426-T430 PolarHBondContact O-OG1 3.23Å
427I95.9Very high94.9Very high30 Ų3033.9 Ų33.915%0.15418%0.184CC..Hα-helixtrans-57.6-50.4178.4-66.5165.3000111T374 S377 S423 T424 L431T374-I427 HydrophobicContact CG2-CG2 4.13Å; S377-I427 WeakPolarHBondContact OG-CD1 3.19Å; S377-I427 WeakPolarHBondContact OG-CG1 3.45Å; S423-I427 WeakPolarHBondContact O-CG1 3.35Å; S423-I427 PolarHBondContact O-N 3.05Å; T424-I427 PolarHBondContact O-N 3.35Å; I427-L431 HydrophobicContact CG2-CD1 4.26Å; I427-L431 VanDerWaalsContact O-CB 3.31Å; I427-L431 WeakPolarHBondContact O-CB 3.47Å; I427-L431 PolarHBondContact O-N 3.46Å
428L94.4Very high94.7Very high42 Ų4236.2 Ų36.222%0.2220%0.199CC..Hα-helixtrans-64.3-47.6-174.5-75.4176.6000112T424 R425 M426 T432 L502 N505T424-L428 WeakPolarHBondContact O-CB 3.37Å; T424-L428 WeakPolarHBondContact O-CG 3.43Å; T424-L428 PolarHBondContact O-N 3.09Å; R425-L428 PolarHBondContact O-N 3.42Å; M426-L428 PolarHBondContact O-N 3.03Å; L428-T432 WeakPolarHBondContact CA-OG1 3.27Å; L428-T432 HydrophobicContact CD2-CG2 4.16Å; L428-T432 PolarHBondContact O-N 3.37Å; L428-T432 PolarHBondContact O-OG1 3.25Å; L428-L502 HydrophobicContact CD1-CD2 3.57Å; L428-L502 HydrophobicContact CD2-CD2 4.37Å; L428-L502 HydrophobicContact CG-CD2 4.34Å; L428-N505 HydrophobicContact CD1-CB 3.84Å; L428-N505 WeakPolarHBondContact CD1-ND2 3.33Å
429L94.5Very high94.4Very high40 Ų4041.8 Ų41.821%0.20924%0.235CC..Hα-helixtrans-71.2-35.2-177.9-68.4175000112.4I356 R425 R436I356-L429 HydrophobicContact CB-CB 4.41Å; I356-L429 HydrophobicContact CD1-CB 4.41Å; I356-L429 HydrophobicContact CD1-CD1 3.58Å; I356-L429 HydrophobicContact CG1-CB 4.49Å; I356-L429 HydrophobicContact CG1-CD1 4.13Å; R425-L429 HydrophobicContact CG-CD1 3.8Å; R425-L429 WeakPolarHBondContact O-CB 3.47Å; R425-L429 PolarHBondContact O-N 3.1Å; L429-R436 PolarHBondContact O-NH2 2.97Å
430T95.4Very high93.9Very high0 Ų048.3 Ų48.30%027%0.268CS..Hα-helixtrans-85.5-46.2-176.160.80000113.1I298 I356 M359 G360 L362 M426I298-T430 HydrophobicContact CD1-CG2 3.98Å; I356-T430 HydrophobicContact CB-CG2 4.07Å; I356-T430 HydrophobicContact CG2-CG2 3.66Å; M359-T430 HydrophobicContact SD-CG2 3.71Å; G360-T430 VanDerWaalsContact CA-O 3.27Å; G360-T430 WeakPolarHBondContact CA-O 3.28Å; G360-T430 PolarHBondContact N-O 3.07Å; G360-T430 VanDerWaalsContact N-O 3.17Å; L362-T430 WeakPolarHBondContact CD1-O 3.41Å; L362-T430 WeakPolarHBondContact CG-O 3.43Å; M426-T430 HydrophobicContact CG-CG2 4.44Å; M426-T430 VanDerWaalsContact O-CB 3.32Å; M426-T430 WeakPolarHBondContact O-CB 3.44Å; M426-T430 VanDerWaalsContact O-CG2 3.23Å; M426-T430 WeakPolarHBondContact O-CG2 3.47Å; M426-T430 PolarHBondContact O-N 3.5Å; M426-T430 PolarHBondContact O-OG1 3.23Å
431L95.7Very high93.2Very high2 Ų249.2 Ų49.21%0.0127%0.274CS..Hα-helixtrans-94.9-36.1-170.3-58.8-174.6000113.4G361 L362 L363 L373 T374 I427G361-L431 CarbonylContact C-O 3.6Å; G361-L431 WeakPolarHBondContact CA-O 3.38Å; G361-L431 PolarHBondContact N-O 2.79Å; L362-L431 HydrophobicContact CB-CD2 4.06Å; L362-L431 PolarHBondContact N-O 2.97Å; L363-L431 HydrophobicContact CB-CB 4.48Å; L363-L431 PolarHBondContact N-O 3.23Å; L373-L431 HydrophobicContact CB-CD1 4.45Å; L373-L431 HydrophobicContact CD2-CD1 3.79Å; L373-L431 HydrophobicContact CD2-CD2 3.99Å; L373-L431 HydrophobicContact CD2-CG 3.85Å; T374-L431 HydrophobicContact CG2-CD1 3.63Å; I427-L431 HydrophobicContact CG2-CD1 4.26Å; I427-L431 VanDerWaalsContact O-CB 3.31Å; I427-L431 WeakPolarHBondContact O-CB 3.47Å; I427-L431 PolarHBondContact O-N 3.46Å
432T93.4Very high92.7Very high55 Ų5555.4 Ų55.434%0.33731%0.306SS..SBendtrans-99.3178.7-174.277.90000112.6G361 L428G361-T432 PolarHBondContact N-O 3.49Å; G361-T432 VanDerWaalsContact N-O 3.16Å; L428-T432 WeakPolarHBondContact CA-OG1 3.27Å; L428-T432 HydrophobicContact CD2-CG2 4.16Å; L428-T432 PolarHBondContact O-N 3.37Å; L428-T432 PolarHBondContact O-OG1 3.25Å
433G90Very high92.5Very high54 Ų5457.5 Ų57.556%0.55732%0.317SS*.SBendtrans74.3-165-178.200000113.5G361G361-G433 WeakPolarHBondContact CA-O 3.4Å; G361-G433 PolarHBondContact N-O 3.37Å
434Q91.1Very high92.4Very high153 Ų15360.9 Ų60.972%0.71533%0.334SS*.SBendtrans-85.6149.9178.5-62.1-62.4-13.500111.1R436Q434-R436 PolarHBondContact O-N 3.13Å; Q434-R436 PolarHBondContact O-NH1 2.78Å; Q434-R436 VanDerWaalsContact O-NH1 3.13Å
435P94.1Very high92.3Very high70 Ų7060.9 Ų60.946%0.45533%0.334SS..  trans-63.8127.3175.527.7-34.5000110.8G360 F437G360-P435 WeakPolarHBondContact O-CA 3.21Å; P435-F437 HydrophobicContact CB-CD1 3.88Å; P435-F437 HydrophobicContact CB-CE1 3.28Å; P435-F437 HydrophobicContact CB-CE2 4.25Å; P435-F437 HydrophobicContact CB-CZ 3.5Å; P435-F437 VanDerWaalsContact CB-CZ 3.5Å
436R93.8Very high92.2Very high102 Ų10264.8 Ų64.839%0.38536%0.358SS..  trans-115.17.4176.6-57.4175.4-65-80.14.2112.9I356 R357 K358 M359 L429 Q434I356-R436 PolarHBondContact O-NH2 2.85Å; R357-R436 WeakPolarHBondContact O-CD 3.44Å; R357-R436 PolarHBondContact O-NE 2.68Å; K358-R436 CarbonylContact O-C 3.58Å; K358-R436 VanDerWaalsContact O-C 3.32Å; M359-R436 WeakPolarHBondContact O-CB 3.41Å; M359-R436 PolarHBondContact O-N 2.79Å; M359-R436 PolarHBondContact O-NE 3.45Å; M359-R436 PolarHBondContact O-NH2 3.43Å; L429-R436 PolarHBondContact O-NH2 2.97Å; Q434-R436 PolarHBondContact O-N 3.13Å; Q434-R436 PolarHBondContact O-NH1 2.78Å; Q434-R436 VanDerWaalsContact O-NH1 3.13Å
437F93.3Very high92.2Very high39 Ų3967.5 Ų67.517%0.17137%0.373CS..SBendtrans-78.6161.1176.451.5-100.2000110.8L350 K358 G360 L362 P435 T441 I443L350-F437 HydrophobicContact CD2-CB 3.79Å; L350-F437 HydrophobicContact CD2-CD1 4.02Å; L350-F437 HydrophobicContact CD2-CD2 4.23Å; L350-F437 HydrophobicContact CD2-CG 3.77Å; K358-F437 WeakPolarHBondContact O-CA 3.37Å; K358-F437 VanDerWaalsContact O-CB 3.26Å; K358-F437 WeakPolarHBondContact O-CB 3.48Å; K358-F437 PolarHBondContact O-N 2.82Å; K358-F437 VanDerWaalsContact O-N 3.07Å; G360-F437 WeakPolarHBondContact O-CE1 3.25Å; L362-F437 HydrophobicContact CD2-CE1 4.17Å; P435-F437 HydrophobicContact CB-CD1 3.88Å; P435-F437 HydrophobicContact CB-CE1 3.28Å; P435-F437 HydrophobicContact CB-CE2 4.25Å; P435-F437 HydrophobicContact CB-CZ 3.5Å; P435-F437 VanDerWaalsContact CB-CZ 3.5Å; F437-T441 HydrophobicContact CD2-CG2 4.1Å; F437-T441 WeakPolarHBondContact CD2-OG1 3.38Å; F437-T441 WeakPolarHBondContact CE2-OG1 3.39Å; F437-I443 HydrophobicContact CE2-CD1 4.32Å; F437-I443 HydrophobicContact CZ-CD1 4.04Å
438P91.6Very high92.2Very high66 Ų6669.8 Ų69.843%0.42939%0.389SS..  trans-55.1146177.2-24.233.9000112.4L440 T441P438-L440 PolarHBondContact O-N 3.11Å; P438-L440 VanDerWaalsContact O-N 3.11Å; P438-T441 WeakPolarHBondContact O-CG2 3.05Å; P438-T441 PolarHBondContact O-OG1 3.06Å
439T90.3Very high92.2Very high147 Ų14769.4 Ų69.490%0.90239%0.389SS*.SBendtrans-57.7-31.2-174.850.70000113.9T441T439-T441 PolarHBondContact O-N 3.49Å
440L86.1Confident92.3Very high139 Ų13967.5 Ų67.573%0.72838%0.379SS*.  trans-103.870.8-172.6-140.3154.3000110.8P438P438-L440 PolarHBondContact O-N 3.11Å; P438-L440 VanDerWaalsContact O-N 3.11Å
441T82.8Confident92.3Very high22 Ų2269 Ų6914%0.13539%0.387CS..  trans-117.9121.4177.645.50000111.1L350 F437 P438 T439 I443L350-T441 HydrophobicContact CD2-CG2 4.24Å; F437-T441 HydrophobicContact CD2-CG2 4.1Å; F437-T441 WeakPolarHBondContact CD2-OG1 3.38Å; F437-T441 WeakPolarHBondContact CE2-OG1 3.39Å; P438-T441 WeakPolarHBondContact O-CG2 3.05Å; P438-T441 PolarHBondContact O-OG1 3.06Å; T439-T441 PolarHBondContact O-N 3.49Å; T441-I443 PolarHBondContact O-N 3.39Å
442N85.7Confident92.3Very high138 Ų13872 Ų7274%0.73840%0.403SS*.  trans-88.781176.2-77.9-2.6000109.6N444N442-N444 PolarHBondContact O-N 3.12Å
443I92.9Very high92.5Very high45 Ų4569.4 Ų69.423%0.23139%0.387CS..  trans-73.3117.8176.6-59.3174.2000108.7N349 L350 L362 T365 M366 F437 T441N349-I443 HydrophobicContact CB-CG2 4.43Å; L350-I443 HydrophobicContact CD2-CD1 4.43Å; L362-I443 HydrophobicContact CD2-CD1 4.33Å; T365-I443 HydrophobicContact CG2-CD1 4.32Å; M366-I443 HydrophobicContact CG-CG2 3.35Å; M366-I443 HydrophobicContact SD-CG2 3.74Å; F437-I443 HydrophobicContact CE2-CD1 4.32Å; F437-I443 HydrophobicContact CZ-CD1 4.04Å; T441-I443 PolarHBondContact O-N 3.39Å
444N92.4Very high92.8Very high74 Ų7466.8 Ų66.840%0.39636%0.36SS..  trans-136.9122.1172.9-174.87.7000110.7N349 N442 N446N349-N444 PolarHBondContact ND2-O 3.13Å; N349-N444 PolarHBondContact OD1-O 3.37Å; N442-N444 PolarHBondContact O-N 3.12Å; N444-N446 WeakPolarHBondContact OD1-CB 3.49Å; N444-N446 PolarHBondContact OD1-N 3.32Å
445E93.8Very high93.1Very high11 Ų1164.7 Ų64.75%0.05135%0.349CS..  trans-107-7.3177.9-152.4-176.4174.500112.7M366 P367 L368 T369 N447 L450 L451M366-E445 WeakPolarHBondContact CA-OE2 3.33Å; M366-E445 WeakPolarHBondContact CB-OE2 3.43Å; M366-E445 HydrophobicContact CE-CG 4.3Å; P367-E445 WeakPolarHBondContact CD-OE2 3.22Å; L368-E445 VanDerWaalsContact CB-OE1 3.28Å; L368-E445 WeakPolarHBondContact CB-OE1 3.35Å; L368-E445 PolarHBondContact N-OE2 3.05Å; T369-E445 WeakPolarHBondContact CB-OE1 3.37Å; T369-E445 HydrophobicContact CG2-CG 4.32Å; T369-E445 WeakPolarHBondContact CG2-OE1 3.34Å; T369-E445 PolarHBondContact N-OE1 3.02Å; T369-E445 PolarHBondContact OG1-OE1 2.75Å; E445-N447 PolarHBondContact O-N 2.86Å; E445-L450 HydrophobicContact CG-CD2 4.04Å; E445-L451 HydrophobicContact CG-CD2 3.92Å; E445-L451 WeakPolarHBondContact O-CD2 3.37Å; E445-L451 VanDerWaalsContact O-CG 3.27Å; E445-L451 WeakPolarHBondContact O-CG 3.29Å
446N93.6Very high93.2Very high131 Ų13163.4 Ų63.470%0.70134%0.335SS*.  trans-75.712-163.3-65.9-21.1000115.5N444N444-N446 WeakPolarHBondContact OD1-CB 3.49Å; N444-N446 PolarHBondContact OD1-N 3.32Å
447N95.1Very high93.3Very high58 Ų5858.6 Ų58.631%0.3132%0.317SS..  trans-84.1125.5-179.1-71.5-41.6000111.3W106 E445 T449 L450 L451W106-N447 VanDerWaalsContact CD1-ND2 3.34Å; W106-N447 PolarHBondContact NE1-ND2 3.45Å; E445-N447 PolarHBondContact O-N 2.86Å; N447-T449 VanDerWaalsContact C-N 3.25Å; N447-T449 PolarHBondContact O-N 2.71Å; N447-L450 HydrophobicContact CB-CB 4.27Å; N447-L450 WeakPolarHBondContact O-CB 3.45Å; N447-L450 PolarHBondContact O-N 2.89Å; N447-L451 WeakPolarHBondContact O-CG 3.39Å; N447-L451 PolarHBondContact O-N 3.22Å
448P95.6Very high93.5Very high77 Ų7757.7 Ų57.750%0.531%0.314SS..Hα-helixtrans-63.4-32.3-178.325.1-33.8000112.5L450 L451 N452P448-L450 PolarHBondContact O-N 3.23Å; P448-L451 PolarHBondContact O-N 3.12Å; P448-N452 WeakPolarHBondContact O-CB 3.41Å; P448-N452 PolarHBondContact O-N 2.9Å; P448-N452 PolarHBondContact O-ND2 3.32Å
449T94.9Very high93.7Very high35 Ų3556.6 Ų56.622%0.21531%0.311CS..Hα-helixtrans-65.1-21.2174.746.60000113.3N447 P453N447-T449 VanDerWaalsContact C-N 3.25Å; N447-T449 PolarHBondContact O-N 2.71Å; T449-P453 WeakPolarHBondContact O-CD 3.44Å; T449-P453 WeakPolarHBondContact O-CG 3.22Å
450L95.8Very high93.9Very high0 Ų050 Ų500%027%0.272CS..Hα-helixtrans-90.4-48.8171172.164.2000111.5F103 W106 E445 N447 P448 P453 I454F103-L450 HydrophobicContact CD2-CD1 3.75Å; F103-L450 HydrophobicContact CE2-CD1 3.6Å; W106-L450 HydrophobicContact CD2-CB 4.13Å; W106-L450 HydrophobicContact CD2-CD1 4.4Å; W106-L450 HydrophobicContact CD2-CD2 4.45Å; W106-L450 HydrophobicContact CE3-CB 4.47Å; W106-L450 HydrophobicContact CE3-CD1 3.93Å; W106-L450 HydrophobicContact CG-CB 4.2Å; W106-L450 HydrophobicContact CH2-CD1 4.4Å; W106-L450 HydrophobicContact CH2-CD2 4.06Å; W106-L450 HydrophobicContact CZ2-CD2 3.96Å; W106-L450 HydrophobicContact CZ3-CD1 3.94Å; W106-L450 HydrophobicContact CZ3-CD2 4.4Å; E445-L450 HydrophobicContact CG-CD2 4.04Å; N447-L450 HydrophobicContact CB-CB 4.27Å; N447-L450 WeakPolarHBondContact O-CB 3.45Å; N447-L450 PolarHBondContact O-N 2.89Å; P448-L450 PolarHBondContact O-N 3.23Å; L450-P453 VanDerWaalsContact O-CD 3.29Å; L450-P453 WeakPolarHBondContact O-CD 3.39Å; L450-P453 VanDerWaalsContact O-CG 3.3Å; L450-P453 WeakPolarHBondContact O-CG 3.43Å; L450-I454 HydrophobicContact CD1-CD1 3.73Å; L450-I454 HydrophobicContact CG-CD1 4.2Å; L450-I454 WeakPolarHBondContact O-CG1 3.23Å
451L95.8Very high94.4Very high32 Ų3243.4 Ų43.417%0.16824%0.238CC..Hα-helixtrans-67.9-42.9-173.3-62.1171.9000112.5L368 E445 N447 P448 I454 K455L368-L451 HydrophobicContact CB-CD2 4.24Å; L368-L451 HydrophobicContact CD2-CB 4.03Å; L368-L451 HydrophobicContact CD2-CD2 3.31Å; L368-L451 HydrophobicContact CD2-CG 4.25Å; L368-L451 HydrophobicContact CG-CD2 4.38Å; E445-L451 HydrophobicContact CG-CD2 3.92Å; E445-L451 WeakPolarHBondContact O-CD2 3.37Å; E445-L451 VanDerWaalsContact O-CG 3.27Å; E445-L451 WeakPolarHBondContact O-CG 3.29Å; N447-L451 WeakPolarHBondContact O-CG 3.39Å; N447-L451 PolarHBondContact O-N 3.22Å; P448-L451 PolarHBondContact O-N 3.12Å; L451-I454 PolarHBondContact O-N 2.93Å; L451-K455 WeakPolarHBondContact O-CB 3.3Å; L451-K455 VanDerWaalsContact O-CG 3.32Å; L451-K455 WeakPolarHBondContact O-CG 3.36Å; L451-K455 PolarHBondContact O-N 2.84Å
452N96.6Very high95Very high64 Ų6445.1 Ų45.134%0.34225%0.246SC..Hα-helixtrans-61.7-49.6-176.5-67.9-18.7000113.8P448 I454 K455 R456P448-N452 WeakPolarHBondContact O-CB 3.41Å; P448-N452 PolarHBondContact O-N 2.9Å; P448-N452 PolarHBondContact O-ND2 3.32Å; N452-I454 VanDerWaalsContact C-N 3.32Å; N452-I454 PolarHBondContact O-N 3.02Å; N452-K455 PolarHBondContact O-N 3.17Å; N452-R456 WeakPolarHBondContact O-CG 3.46Å; N452-R456 PolarHBondContact O-N 3.48Å
453P96.9Very high95.5Very high0 Ų044.7 Ų44.70%024%0.238CC..Hα-helixtrans-64-37.4178.424.5-34.1000112.4S99 E102 F103 M341 T449 L450 R456 L457S99-P453 WeakPolarHBondContact O-CB 3.38Å; E102-P453 HydrophobicContact CB-CB 4.43Å; E102-P453 HydrophobicContact CB-CG 4.37Å; E102-P453 HydrophobicContact CG-CG 4.31Å; F103-P453 HydrophobicContact CB-CG 4.16Å; M341-P453 HydrophobicContact CE-CB 4.21Å; M341-P453 HydrophobicContact SD-CB 4.19Å; T449-P453 WeakPolarHBondContact O-CD 3.44Å; T449-P453 WeakPolarHBondContact O-CG 3.22Å; L450-P453 VanDerWaalsContact O-CD 3.29Å; L450-P453 WeakPolarHBondContact O-CD 3.39Å; L450-P453 VanDerWaalsContact O-CG 3.3Å; L450-P453 WeakPolarHBondContact O-CG 3.43Å; P453-R456 PolarHBondContact O-N 3.49Å; P453-L457 PolarHBondContact O-N 3.43Å
454I96.6Very high95.5Very high0 Ų043.1 Ų43.10%023%0.231CC..Hα-helixtrans-62.3-49.3174.6-65.8173.2000110.1M341 L368 T369 S372 L450 L451 N452 R456 L457 T458M341-I454 HydrophobicContact CB-CG1 4.5Å; M341-I454 HydrophobicContact CE-CG1 3.9Å; L368-I454 HydrophobicContact CD2-CG2 4.34Å; L368-I454 HydrophobicContact CG-CG2 4.42Å; T369-I454 HydrophobicContact CG2-CD1 3.71Å; S372-I454 VanDerWaalsContact CB-CG2 3.48Å; S372-I454 VanDerWaalsContact OG-CG2 3.3Å; S372-I454 WeakPolarHBondContact OG-CG2 3.27Å; L450-I454 HydrophobicContact CD1-CD1 3.73Å; L450-I454 HydrophobicContact CG-CD1 4.2Å; L450-I454 WeakPolarHBondContact O-CG1 3.23Å; L451-I454 PolarHBondContact O-N 2.93Å; N452-I454 VanDerWaalsContact C-N 3.32Å; N452-I454 PolarHBondContact O-N 3.02Å; I454-R456 VanDerWaalsContact C-N 3.3Å; I454-R456 PolarHBondContact O-N 2.96Å; I454-L457 PolarHBondContact O-N 3.49Å; I454-T458 HydrophobicContact CG2-CG2 4.19Å; I454-T458 WeakPolarHBondContact O-CG2 3.3Å; I454-T458 PolarHBondContact O-N 2.81Å; I454-T458 PolarHBondContact O-OG1 2.94Å
455K96.8Very high95.5Very high108 Ų10839.6 Ų39.647%0.4721%0.212SC..Hα-helixtrans-58.9-37.6177.2-74.3176.1-175.6178.10113.3L368 L451 N452 T458 A459L368-K455 HydrophobicContact CD1-CG 4.23Å; L368-K455 HydrophobicContact CD2-CG 4.03Å; L451-K455 WeakPolarHBondContact O-CB 3.3Å; L451-K455 VanDerWaalsContact O-CG 3.32Å; L451-K455 WeakPolarHBondContact O-CG 3.36Å; L451-K455 PolarHBondContact O-N 2.84Å; N452-K455 PolarHBondContact O-N 3.17Å; K455-T458 WeakPolarHBondContact CA-OG1 3.47Å; K455-T458 PolarHBondContact O-OG1 2.88Å; K455-A459 WeakPolarHBondContact O-CB 3.49Å; K455-A459 PolarHBondContact O-N 2.91Å; K455-A459 VanDerWaalsContact O-N 3.14Å
456R96.8Very high95.5Very high43 Ų4343.3 Ų43.316%0.16223%0.229CC..Hα-helixtrans-67.4-45.1176.4-73.4-167.5-54.5-934111.4F95 W98 E102 N452 P453 I454 A459 G460F95-R456 HydrophobicContact CE2-CB 4.46Å; F95-R456 HydrophobicContact CZ-CB 3.86Å; F95-R456 WeakPolarHBondContact CZ-O 3.3Å; W98-R456 VanDerWaalsContact CH2-CD 3.45Å; E102-R456 IonicContact OE2-CZ 3.11Å; E102-R456 IonicContact OE2-NH1 2.72Å; E102-R456 PolarHBondContact OE2-NH1 2.89Å; E102-R456 IonicContact OE2-NH2 3.08Å; E102-R456 PolarHBondContact OE2-NH2 3.31Å; N452-R456 WeakPolarHBondContact O-CG 3.46Å; N452-R456 PolarHBondContact O-N 3.48Å; P453-R456 PolarHBondContact O-N 3.49Å; I454-R456 VanDerWaalsContact C-N 3.3Å; I454-R456 PolarHBondContact O-N 2.96Å; R456-A459 PolarHBondContact O-N 3.06Å; R456-G460 PolarHBondContact O-N 3.48Å
457L96.4Very high95.5Very high1 Ų141.5 Ų41.51%0.00522%0.218CC..Hα-helixtrans-71.9-30.8178.6-79.6174.5000113F95 S99 F334 A337 M338 M341 P453 I454 G460 S461F95-L457 HydrophobicContact CD1-CD2 4.15Å; F95-L457 HydrophobicContact CE1-CD2 3.87Å; F95-L457 HydrophobicContact CE1-CG 4.45Å; S99-L457 WeakPolarHBondContact OG-CD1 3.29Å; F334-L457 HydrophobicContact CD1-CD2 4.04Å; A337-L457 HydrophobicContact CB-CD1 3.69Å; A337-L457 HydrophobicContact CB-CD2 4.29Å; M338-L457 HydrophobicContact CB-CB 4.1Å; M338-L457 HydrophobicContact CG-CB 4.41Å; M341-L457 HydrophobicContact CE-CB 4.27Å; M341-L457 HydrophobicContact CE-CD1 3.18Å; M341-L457 HydrophobicContact CE-CG 4.16Å; M341-L457 HydrophobicContact SD-CD1 3.85Å; P453-L457 PolarHBondContact O-N 3.43Å; I454-L457 PolarHBondContact O-N 3.49Å; L457-G460 PolarHBondContact O-N 3.49Å; L457-S461 WeakPolarHBondContact O-CB 3.4Å; L457-S461 PolarHBondContact O-N 2.92Å; L457-S461 PolarHBondContact O-OG 3.48Å
458T96.7Very high95.4Very high20 Ų2039.7 Ų39.712%0.12321%0.209CC..Hα-helixtrans-63-47.6170.956.50000110.7M338 I454 K455 G460 S461 L462M338-T458 VanDerWaalsContact SD-CA 3.54Å; M338-T458 HydrophobicContact SD-CG2 3.35Å; M338-T458 WeakPolarHBondContact SD-CG2 3.32Å; I454-T458 HydrophobicContact CG2-CG2 4.19Å; I454-T458 WeakPolarHBondContact O-CG2 3.3Å; I454-T458 PolarHBondContact O-N 2.81Å; I454-T458 PolarHBondContact O-OG1 2.94Å; K455-T458 WeakPolarHBondContact CA-OG1 3.47Å; K455-T458 PolarHBondContact O-OG1 2.88Å; T458-G460 VanDerWaalsContact C-N 3.29Å; T458-G460 PolarHBondContact O-N 3.35Å; T458-S461 WeakPolarHBondContact CA-OG 3.26Å; T458-S461 CarbonylContact O-C 3.6Å; T458-S461 PolarHBondContact O-N 3.08Å; T458-S461 PolarHBondContact O-OG 3.37Å; T458-L462 WeakPolarHBondContact O-CG 3.46Å; T458-L462 PolarHBondContact O-N 3.12Å
459A96.4Very high95.1Very high44 Ų4437.7 Ų37.736%0.36420%0.195SC..Hα-helixtrans-58.7-42.3175.500000111.5K455 R456 S461 L462 F463K455-A459 WeakPolarHBondContact O-CB 3.49Å; K455-A459 PolarHBondContact O-N 2.91Å; K455-A459 VanDerWaalsContact O-N 3.14Å; R456-A459 PolarHBondContact O-N 3.06Å; A459-S461 PolarHBondContact O-N 3.38Å; A459-L462 PolarHBondContact O-N 3.12Å; A459-F463 WeakPolarHBondContact O-CD2 3.15Å; A459-F463 PolarHBondContact O-N 3.12Å
460G95.1Very high94.9Very high8 Ų840.5 Ų40.58%0.08221%0.209CC..Hα-helixtrans-59.2-44.5171.800000112.9T387 R456 L457 T458 L462 A464T387-G460 WeakPolarHBondContact CG2-O 3.39Å; R456-G460 PolarHBondContact O-N 3.48Å; L457-G460 PolarHBondContact O-N 3.49Å; T458-G460 VanDerWaalsContact C-N 3.29Å; T458-G460 PolarHBondContact O-N 3.35Å; G460-L462 PolarHBondContact O-N 3.49Å; G460-A464 WeakPolarHBondContact O-CB 3.47Å; G460-A464 PolarHBondContact O-N 3.42Å
461S95.3Very high94.5Very high0 Ų044.8 Ų44.80%023%0.232CC..Hα-helixtrans-70.4-1217975.60000115M338 I375 T387 L457 T458 A459M338-S461 WeakPolarHBondContact CE-OG 3.28Å; I375-S461 WeakPolarHBondContact CG2-OG 3.09Å; T387-S461 VanDerWaalsContact CG2-C 3.47Å; T387-S461 VanDerWaalsContact CG2-O 3.23Å; T387-S461 WeakPolarHBondContact CG2-O 3.5Å; T387-S461 PolarHBondContact N-O 2.97Å; T387-S461 PolarHBondContact OG1-O 3.07Å; T387-S461 VanDerWaalsContact OG1-O 3.11Å; L457-S461 WeakPolarHBondContact O-CB 3.4Å; L457-S461 PolarHBondContact O-N 2.92Å; L457-S461 PolarHBondContact O-OG 3.48Å; T458-S461 WeakPolarHBondContact CA-OG 3.26Å; T458-S461 CarbonylContact O-C 3.6Å; T458-S461 PolarHBondContact O-N 3.08Å; T458-S461 PolarHBondContact O-OG 3.37Å; A459-S461 PolarHBondContact O-N 3.38Å
462L95.9Very high94Very high59 Ų5944.6 Ų44.631%0.30923%0.23SC..Hα-helixtrans-94.4-51.2172.7-67.4172.4000110.9I375 L386 T458 A459 G460I375-L462 HydrophobicContact CG2-CD2 3.91Å; I375-L462 HydrophobicContact CG2-CG 4.35Å; L386-L462 HydrophobicContact CD2-CD2 3.42Å; L386-L462 VanDerWaalsContact CD2-CD2 3.42Å; T458-L462 WeakPolarHBondContact O-CG 3.46Å; T458-L462 PolarHBondContact O-N 3.12Å; A459-L462 PolarHBondContact O-N 3.12Å; G460-L462 PolarHBondContact O-N 3.49Å
463F95.6Very high93.1Very high128 Ų12843.5 Ų43.556%0.56123%0.228SC*.Hα-helixtrans-105.2-26.3-165.9-61.6-68.6000115.1A459 G465 F466 L467A459-F463 WeakPolarHBondContact O-CD2 3.15Å; A459-F463 PolarHBondContact O-N 3.12Å; F463-G465 PolarHBondContact O-N 2.86Å; F463-F466 PolarHBondContact O-N 3.38Å; F463-L467 HydrophobicContact CB-CD1 4.35Å; F463-L467 WeakPolarHBondContact O-CG 3.38Å; F463-L467 PolarHBondContact O-N 3.5Å
464A93.6Very high92Very high12 Ų1248.6 Ų48.610%0.09926%0.261CS..Hα-helixtrans-62.7-41.8-168.600000112.7F334 T387 G460 L467 I468F334-A464 HydrophobicContact CD2-CB 3.92Å; F334-A464 HydrophobicContact CE1-CB 4.18Å; F334-A464 HydrophobicContact CE2-CB 3.57Å; F334-A464 HydrophobicContact CG-CB 4.39Å; F334-A464 HydrophobicContact CZ-CB 3.71Å; T387-A464 HydrophobicContact CG2-CB 4.47Å; G460-A464 WeakPolarHBondContact O-CB 3.47Å; G460-A464 PolarHBondContact O-N 3.42Å; A464-L467 PolarHBondContact O-N 2.91Å; A464-I468 HydrophobicContact CB-CD1 4.3Å; A464-I468 WeakPolarHBondContact O-CB 3.48Å; A464-I468 WeakPolarHBondContact O-CD1 3.31Å; A464-I468 WeakPolarHBondContact O-CG1 3.28Å; A464-I468 PolarHBondContact O-N 3.35Å
465G92.5Very high90.8Very high0 Ų051.3 Ų51.30%028%0.284CS..Hα-helixtrans-56.9-51175.900000112.1F463 L467 I468 T469F463-G465 PolarHBondContact O-N 2.86Å; G465-L467 PolarHBondContact O-N 3.49Å; G465-I468 PolarHBondContact O-N 2.87Å; G465-T469 WeakPolarHBondContact O-CB 3.48Å; G465-T469 WeakPolarHBondContact O-CG2 3.49Å; G465-T469 PolarHBondContact O-N 3.01Å; G465-T469 PolarHBondContact O-OG1 3.36Å; G465-T469 VanDerWaalsContact O-OG1 3.12Å
466F93.9Very high89.6Confident90 Ų9047 Ų4740%0.39527%0.267SS..Hα-helixtrans-59.1-45.2175.9174.4-104.9000112.6Y390 F463 T469 N470Y390-F466 HydrophobicContact CE1-CB 4.43Å; Y390-F466 HydrophobicContact CE1-CD2 4.09Å; Y390-F466 HydrophobicContact CE2-CB 3.78Å; Y390-F466 AromaticContact CZ-CD2 3.78Å; Y390-F466 VanDerWaalsContact OH-CD2 3.23Å; Y390-F466 WeakPolarHBondContact OH-CD2 3.48Å; F463-F466 PolarHBondContact O-N 3.38Å; F466-T469 PolarHBondContact O-OG1 3.25Å; F466-T469 VanDerWaalsContact O-OG1 3.07Å; F466-N470 WeakPolarHBondContact CD2-ND2 3.41Å; F466-N470 WeakPolarHBondContact CE1-ND2 3.3Å; F466-N470 WeakPolarHBondContact CE2-ND2 3.32Å; F466-N470 WeakPolarHBondContact CZ-ND2 3.21Å; F466-N470 WeakPolarHBondContact O-CB 3.47Å; F466-N470 PolarHBondContact O-N 2.82Å; F466-N470 PolarHBondContact O-ND2 3.23Å
467L93.6Very high88.4Confident92 Ų9250.8 Ų50.848%0.48230%0.297SS..Hα-helixtrans-64.6-43.5178.7-70.3173000111.7F463 A464 G465 N471F463-L467 HydrophobicContact CB-CD1 4.35Å; F463-L467 WeakPolarHBondContact O-CG 3.38Å; F463-L467 PolarHBondContact O-N 3.5Å; A464-L467 PolarHBondContact O-N 2.91Å; G465-L467 PolarHBondContact O-N 3.49Å; L467-N471 WeakPolarHBondContact O-CB 3.49Å; L467-N471 PolarHBondContact O-N 2.95Å; L467-N471 PolarHBondContact O-ND2 3.11Å
468I92.1Very high87.2Confident21 Ų2155.7 Ų55.711%0.10832%0.318CS..Hα-helixtrans-63.9-51.4179.4-71.5165.9000109C330 F334 A464 G465 N470 N471 I472C330-I468 HydrophobicContact CB-CD1 4.25Å; F334-I468 HydrophobicContact CE2-CD1 4.3Å; A464-I468 HydrophobicContact CB-CD1 4.3Å; A464-I468 WeakPolarHBondContact O-CB 3.48Å; A464-I468 WeakPolarHBondContact O-CD1 3.31Å; A464-I468 WeakPolarHBondContact O-CG1 3.28Å; A464-I468 PolarHBondContact O-N 3.35Å; G465-I468 PolarHBondContact O-N 2.87Å; I468-N470 VanDerWaalsContact C-N 3.32Å; I468-N470 PolarHBondContact O-N 3.49Å; I468-N471 PolarHBondContact O-N 2.82Å; I468-I472 HydrophobicContact CB-CD1 4.44Å; I468-I472 HydrophobicContact CG2-CD1 3.23Å; I468-I472 HydrophobicContact CG2-CG1 4.12Å; I468-I472 VanDerWaalsContact O-CD1 3.26Å; I468-I472 WeakPolarHBondContact O-CD1 3.25Å; I468-I472 WeakPolarHBondContact O-CG1 3.4Å; I468-I472 PolarHBondContact O-N 3.2Å; I468-I472 VanDerWaalsContact O-N 3.07Å
469T90.6Very high86Confident34 Ų3460.6 Ų60.621%0.20934%0.34CS..Hα-helixtrans-63.3-35.5-175.158.70000113.9L327 Y390 G465 F466L327-T469 HydrophobicContact CD1-CG2 3.79Å; L327-T469 HydrophobicContact CD2-CG2 4.34Å; L327-T469 HydrophobicContact CG-CG2 4.48Å; Y390-T469 HydrophobicContact CD1-CG2 4.04Å; Y390-T469 HydrophobicContact CG-CG2 3.96Å; G465-T469 WeakPolarHBondContact O-CB 3.48Å; G465-T469 WeakPolarHBondContact O-CG2 3.49Å; G465-T469 PolarHBondContact O-N 3.01Å; G465-T469 PolarHBondContact O-OG1 3.36Å; G465-T469 VanDerWaalsContact O-OG1 3.12Å; F466-T469 PolarHBondContact O-OG1 3.25Å; F466-T469 VanDerWaalsContact O-OG1 3.07Å
470N90.1Very high85.1Confident94 Ų9464.5 Ų64.550%0.50336%0.359SS..Hα-helixtrans-77.7-27.5-178.9-66.8-10.5000113.1F466 I468F466-N470 WeakPolarHBondContact CD2-ND2 3.41Å; F466-N470 WeakPolarHBondContact CE1-ND2 3.3Å; F466-N470 WeakPolarHBondContact CE2-ND2 3.32Å; F466-N470 WeakPolarHBondContact CZ-ND2 3.21Å; F466-N470 WeakPolarHBondContact O-CB 3.47Å; F466-N470 PolarHBondContact O-N 2.82Å; F466-N470 PolarHBondContact O-ND2 3.23Å; I468-N470 VanDerWaalsContact C-N 3.32Å; I468-N470 PolarHBondContact O-N 3.49Å
471N88.3Confident84.7Confident90 Ų9069.7 Ų69.748%0.48139%0.39SS..Hα-helixtrans-92.6-18.6-176.4-65.9-26000112.5M55 L467 I468M55-N471 HydrophobicContact CE-CB 3.52Å; M55-N471 HydrophobicContact SD-CB 3.69Å; L467-N471 WeakPolarHBondContact O-CB 3.49Å; L467-N471 PolarHBondContact O-N 2.95Å; L467-N471 PolarHBondContact O-ND2 3.11Å; I468-N471 PolarHBondContact O-N 2.82Å
472I84.7Confident84.5Confident28 Ų2871.6 Ų71.614%0.14440%0.4CS..SBendtrans-72.7133178.7-69.8162.1000110.8Y84 M88 L327 I468Y84-I472 HydrophobicContact CE2-CB 4.35Å; Y84-I472 HydrophobicContact CE2-CD1 4.34Å; Y84-I472 HydrophobicContact CE2-CG1 3.89Å; Y84-I472 HydrophobicContact CE2-CG2 3.62Å; Y84-I472 WeakPolarHBondContact OH-CD1 3.07Å; M88-I472 HydrophobicContact CE-CG1 3.72Å; L327-I472 HydrophobicContact CD1-CD1 3.79Å; I468-I472 HydrophobicContact CB-CD1 4.44Å; I468-I472 HydrophobicContact CG2-CD1 3.23Å; I468-I472 HydrophobicContact CG2-CG1 4.12Å; I468-I472 VanDerWaalsContact O-CD1 3.26Å; I468-I472 WeakPolarHBondContact O-CD1 3.25Å; I468-I472 WeakPolarHBondContact O-CG1 3.4Å; I468-I472 PolarHBondContact O-N 3.2Å; I468-I472 VanDerWaalsContact O-N 3.07Å
473S78.3Confident84.4Confident41 Ų4171.1 Ų71.129%0.28740%0.4SS..  trans-60.5128.1165.861.30000110.7A475S473-A475 PolarHBondContact O-N 3.01Å
474P72.8Confident84.3Confident108 Ų10871.4 Ų71.470%0.70141%0.407SS*.  trans-65.3105.4179.826.1-33000110.7
475A71.5Confident84.3Confident57 Ų5778.7 Ų78.747%0.47143%0.433SS..  trans-85-28.9-176.300000113.7H323 S473H323-A475 HydrophobicContact CB-CB 4.37Å; H323-A475 VanDerWaalsContact CD2-CB 3.48Å; H323-A475 WeakPolarHBondContact CD2-CB 3.22Å; S473-A475 PolarHBondContact O-N 3.01Å
476S70.5Confident84.3Confident17 Ų1780.2 Ų80.212%0.11944%0.441CS..SBendtrans-123.2143.1173.957.30000110.6Q321 F478Q321-S476 PolarHBondContact OE1-OG 2.76Å; S476-F478 PolarHBondContact O-N 3.04Å; S476-F478 VanDerWaalsContact O-N 3.13Å
477P72.1Confident84.3Confident123 Ų12379.5 Ų79.580%0.79944%0.438SS*.  trans-65116.9177.326.3-33000109.4Q479P477-Q479 PolarHBondContact O-N 3.43Å
478F70.9Confident84.3Confident103 Ų10379.3 Ų79.345%0.45244%0.436SS..  trans-72.3127.8171.3-66.8-65.3000109.7L324 S476 T480L324-F478 HydrophobicContact CD1-CE1 4.49Å; L324-F478 HydrophobicContact CD2-CE1 4.05Å; L324-F478 HydrophobicContact CD2-CZ 4.48Å; L324-F478 HydrophobicContact CG-CE1 4.49Å; S476-F478 PolarHBondContact O-N 3.04Å; S476-F478 VanDerWaalsContact O-N 3.13Å; F478-T480 PolarHBondContact O-N 3.11Å
479Q72.1Confident84.4Confident123 Ų12379.5 Ų79.558%0.57544%0.439SS*.  trans-75.2111.1170.3-68.3179.9-11.400108.8P477P477-Q479 PolarHBondContact O-N 3.43Å
480T77Confident84.6Confident126 Ų12678.2 Ų78.277%0.77343%0.432SS*.  trans-90.7-14.7-176.552.20000113.5F478F478-T480 PolarHBondContact O-N 3.11Å
481T87.4Confident84.8Confident118 Ų11877.6 Ų77.672%0.72443%0.428SS*.  trans-97.495.3-178.654.90000111
482I90.9Very high85.2Confident40 Ų4076 Ų7621%0.20543%0.427CS..  trans-130.2140.6177.850.9178.8000111E397 M401 K487E397-I482 HydrophobicContact CG-CD1 4.11Å; M401-I482 HydrophobicContact CE-CG2 3.91Å; M401-I482 HydrophobicContact CG-CG2 3.48Å; M401-I482 VanDerWaalsContact CG-CG2 3.48Å; M401-I482 HydrophobicContact SD-CB 4.34Å; M401-I482 HydrophobicContact SD-CG2 3.53Å; M401-I482 VanDerWaalsContact SD-CG2 3.53Å; I482-K487 HydrophobicContact CD1-CB 3.82Å; I482-K487 HydrophobicContact CD1-CD 3.34Å; I482-K487 HydrophobicContact CD1-CG 4.15Å; I482-K487 HydrophobicContact CG1-CB 4.14Å; I482-K487 HydrophobicContact CG1-CD 4.18Å
483P93.9Very high85.7Confident49 Ų4976.1 Ų76.132%0.31843%0.429SS..  trans-68147.8177.230.6-35.1000110.1Y485 L486 K487P483-Y485 HydrophobicContact CB-CD1 3.8Å; P483-Y485 HydrophobicContact CB-CE1 3.44Å; P483-Y485 VanDerWaalsContact CB-CE1 3.44Å; P483-Y485 HydrophobicContact CG-CD1 4.15Å; P483-Y485 HydrophobicContact CG-CE1 3.54Å; P483-Y485 HydrophobicContact CG-CE2 4.5Å; P483-Y485 PolarHBondContact O-N 2.98Å; P483-Y485 VanDerWaalsContact O-N 3.14Å; P483-L486 HydrophobicContact CG-CB 3.97Å; P483-L486 HydrophobicContact CG-CD1 3.59Å; P483-L486 HydrophobicContact CG-CG 3.74Å; P483-L486 PolarHBondContact O-N 3.28Å; P483-K487 PolarHBondContact O-N 3.47Å
484L93.6Very high86.5Confident133 Ų13375.2 Ų75.270%0.69642%0.422SS*.Hα-helixtrans-57.2-36-170.9-176.9138.2000113.3L486 K487 L488L484-L486 PolarHBondContact O-N 2.92Å; L484-K487 PolarHBondContact O-N 3.32Å; L484-L488 HydrophobicContact CD2-CD1 3.7Å; L484-L488 HydrophobicContact CG-CD1 4.05Å; L484-L488 WeakPolarHBondContact O-CG 3.38Å; L484-L488 PolarHBondContact O-N 3.39Å; L484-L488 VanDerWaalsContact O-N 3.09Å
485Y93.9Very high87.6Confident165 Ų16575.9 Ų75.965%0.64741%0.414SS*.Hα-helixtrans-65-38.917770-90.8000112P483 T489P483-Y485 HydrophobicContact CB-CD1 3.8Å; P483-Y485 HydrophobicContact CB-CE1 3.44Å; P483-Y485 VanDerWaalsContact CB-CE1 3.44Å; P483-Y485 HydrophobicContact CG-CD1 4.15Å; P483-Y485 HydrophobicContact CG-CE1 3.54Å; P483-Y485 HydrophobicContact CG-CE2 4.5Å; P483-Y485 PolarHBondContact O-N 2.98Å; P483-Y485 VanDerWaalsContact O-N 3.14Å; Y485-T489 VanDerWaalsContact O-CG2 3.3Å; Y485-T489 WeakPolarHBondContact O-CG2 3.29Å; Y485-T489 PolarHBondContact O-N 2.78Å
486L92.5Very high88.7Confident32 Ų3278 Ų7817%0.16842%0.417CS..Hα-helixtrans-70.5-42.1176.7-69.3-178.9000111.7N400 M401 P483 L484 L488 T489N400-L486 HydrophobicContact CB-CD2 4.25Å; M401-L486 HydrophobicContact SD-CD1 3.67Å; P483-L486 HydrophobicContact CG-CB 3.97Å; P483-L486 HydrophobicContact CG-CD1 3.59Å; P483-L486 HydrophobicContact CG-CG 3.74Å; P483-L486 PolarHBondContact O-N 3.28Å; L484-L486 PolarHBondContact O-N 2.92Å; L486-L488 VanDerWaalsContact C-N 3.27Å; L486-L488 PolarHBondContact O-N 2.91Å; L486-T489 HydrophobicContact CD2-CG2 4.28Å; L486-T489 WeakPolarHBondContact O-CB 3.48Å; L486-T489 WeakPolarHBondContact O-CG2 3.4Å; L486-T489 PolarHBondContact O-N 3.32Å; L486-T489 PolarHBondContact O-OG1 3.48Å
487K93.3Very high89.9Confident76 Ų7677.2 Ų77.233%0.3341%0.411SS..Hα-helixtrans-55.8-43.1176.2-179.670.1-168.2168.90111.6D393 E397 I482 P483 L484D393-K487 IonicContact OD2-NZ 2.78Å; E397-K487 VanDerWaalsContact CD-NZ 3.34Å; E397-K487 WeakPolarHBondContact OE1-CD 3.37Å; E397-K487 WeakPolarHBondContact OE1-CE 3.49Å; E397-K487 IonicContact OE1-NZ 3.24Å; E397-K487 PolarHBondContact OE1-NZ 2.81Å; E397-K487 IonicContact OE2-NZ 2.65Å; E397-K487 PolarHBondContact OE2-NZ 3.17Å; I482-K487 HydrophobicContact CD1-CB 3.82Å; I482-K487 HydrophobicContact CD1-CD 3.34Å; I482-K487 HydrophobicContact CD1-CG 4.15Å; I482-K487 HydrophobicContact CG1-CB 4.14Å; I482-K487 HydrophobicContact CG1-CD 4.18Å; P483-K487 PolarHBondContact O-N 3.47Å; L484-K487 PolarHBondContact O-N 3.32Å
488L94.3Very high91Very high87 Ų8773.9 Ų73.946%0.45539%0.387SS..THydrogen-bonded Turntrans-86.3-0.3-176.5-64.7177000114.3L484 L486 A490 L491 A492L484-L488 HydrophobicContact CD2-CD1 3.7Å; L484-L488 HydrophobicContact CG-CD1 4.05Å; L484-L488 WeakPolarHBondContact O-CG 3.38Å; L484-L488 PolarHBondContact O-N 3.39Å; L484-L488 VanDerWaalsContact O-N 3.09Å; L486-L488 VanDerWaalsContact C-N 3.27Å; L486-L488 PolarHBondContact O-N 2.91Å; L488-A490 PolarHBondContact O-N 2.84Å; L488-L491 PolarHBondContact O-N 3.18Å; L488-A492 VanDerWaalsContact O-CB 3.31Å; L488-A492 WeakPolarHBondContact O-CB 3.15Å; L488-A492 PolarHBondContact O-N 3.28Å
489T94.3Very high92.2Very high26 Ų2672.5 Ų72.516%0.1638%0.384CS..Hα-helixtrans-56.6-49-177510000113.4N400 Y485 L486 L491 A492 V493N400-T489 PolarHBondContact ND2-OG1 2.78Å; Y485-T489 VanDerWaalsContact O-CG2 3.3Å; Y485-T489 WeakPolarHBondContact O-CG2 3.29Å; Y485-T489 PolarHBondContact O-N 2.78Å; L486-T489 HydrophobicContact CD2-CG2 4.28Å; L486-T489 WeakPolarHBondContact O-CB 3.48Å; L486-T489 WeakPolarHBondContact O-CG2 3.4Å; L486-T489 PolarHBondContact O-N 3.32Å; L486-T489 PolarHBondContact O-OG1 3.48Å; T489-L491 VanDerWaalsContact C-N 3.33Å; T489-L491 PolarHBondContact O-N 2.8Å; T489-A492 PolarHBondContact O-N 3.2Å; T489-V493 WeakPolarHBondContact O-CB 3.32Å; T489-V493 WeakPolarHBondContact O-CG2 3.49Å; T489-V493 PolarHBondContact O-N 2.99Å
490A93.8Very high93.3Very high7 Ų769.6 Ų69.66%0.05837%0.374CS..Hα-helixtrans-61-44.9-176.200000111.3D393 I396 L488 T494D393-A490 WeakPolarHBondContact OD1-CB 3.45Å; I396-A490 HydrophobicContact CB-CB 4.14Å; I396-A490 HydrophobicContact CD1-CB 3.54Å; I396-A490 HydrophobicContact CG1-CB 4.45Å; I396-A490 HydrophobicContact CG2-CB 4.06Å; L488-A490 PolarHBondContact O-N 2.84Å; A490-T494 WeakPolarHBondContact O-CB 3.4Å; A490-T494 WeakPolarHBondContact O-CG2 3.43Å; A490-T494 PolarHBondContact O-N 2.66Å; A490-T494 PolarHBondContact O-OG1 3.43Å
491L94.9Very high94.1Very high80 Ų8063.9 Ų63.942%0.41934%0.34SS..Hα-helixtrans-67.7-41.2177.5-168131.1000112.1P384 L488 T489 T494 F495P384-L491 HydrophobicContact CG-CD1 4.24Å; L488-L491 PolarHBondContact O-N 3.18Å; T489-L491 VanDerWaalsContact C-N 3.33Å; T489-L491 PolarHBondContact O-N 2.8Å; L491-T494 WeakPolarHBondContact CA-OG1 3.27Å; L491-T494 PolarHBondContact O-OG1 3.33Å; L491-F495 WeakPolarHBondContact O-CB 3.34Å; L491-F495 PolarHBondContact O-N 3Å
492A95.6Very high94.4Very high56 Ų5661.7 Ų61.746%0.46332%0.323SS..Hα-helixtrans-63.1-44.8177.300000112.1L488 T489 F495 L496L488-A492 VanDerWaalsContact O-CB 3.31Å; L488-A492 WeakPolarHBondContact O-CB 3.15Å; L488-A492 PolarHBondContact O-N 3.28Å; T489-A492 PolarHBondContact O-N 3.2Å; A492-F495 PolarHBondContact O-N 2.91Å; A492-L496 WeakPolarHBondContact O-CB 3.22Å; A492-L496 PolarHBondContact O-N 2.86Å
493V95.9Very high94.6Very high32 Ų3264.9 Ų64.919%0.19434%0.341CS..Hα-helixtrans-69-39.4-178.7174.30000111.5L413 T416 T489 L496 G497L413-V493 WeakPolarHBondContact O-CG1 3.4Å; T416-V493 VanDerWaalsContact OG1-CG1 3.26Å; T416-V493 WeakPolarHBondContact OG1-CG1 3.2Å; T489-V493 WeakPolarHBondContact O-CB 3.32Å; T489-V493 WeakPolarHBondContact O-CG2 3.49Å; T489-V493 PolarHBondContact O-N 2.99Å; V493-L496 PolarHBondContact O-N 3.35Å; V493-G497 PolarHBondContact O-N 3.08Å; V493-G497 VanDerWaalsContact O-N 3.07Å
494T95.1Very high94.4Very high21 Ų2167.9 Ų67.913%0.12935%0.353CS..Hα-helixtrans-66.6-40.7175.351.70000112A381 S420 A490 L491 G497 L498A381-T494 WeakPolarHBondContact O-CG2 3.22Å; S420-T494 VanDerWaalsContact CB-O 3.29Å; S420-T494 WeakPolarHBondContact CB-O 3.4Å; S420-T494 PolarHBondContact OG-O 3.2Å; A490-T494 WeakPolarHBondContact O-CB 3.4Å; A490-T494 WeakPolarHBondContact O-CG2 3.43Å; A490-T494 PolarHBondContact O-N 2.66Å; A490-T494 PolarHBondContact O-OG1 3.43Å; L491-T494 WeakPolarHBondContact CA-OG1 3.27Å; L491-T494 PolarHBondContact O-OG1 3.33Å; T494-G497 PolarHBondContact O-N 3.19Å; T494-L498 PolarHBondContact O-N 2.89Å
495F95.4Very high94.3Very high122 Ų12262.7 Ų62.754%0.53533%0.326SS..Hα-helixtrans-63.6-42.3175-172.9-109.7000112.2L491 A492 G497 L498 L499L491-F495 WeakPolarHBondContact O-CB 3.34Å; L491-F495 PolarHBondContact O-N 3Å; A492-F495 PolarHBondContact O-N 2.91Å; F495-G497 PolarHBondContact O-N 2.97Å; F495-L498 WeakPolarHBondContact O-CB 3.47Å; F495-L498 PolarHBondContact O-N 2.91Å; F495-L498 VanDerWaalsContact O-N 3.16Å; F495-L499 HydrophobicContact CD1-CD1 3.8Å; F495-L499 HydrophobicContact CD1-CG 4.26Å; F495-L499 HydrophobicContact CE1-CD1 3.37Å; F495-L499 HydrophobicContact CE1-CD2 4.39Å; F495-L499 HydrophobicContact CE1-CG 3.94Å; F495-L499 HydrophobicContact CZ-CD1 3.91Å; F495-L499 HydrophobicContact CZ-CD2 4.07Å; F495-L499 HydrophobicContact CZ-CG 4.06Å; F495-L499 PolarHBondContact O-N 2.94Å
496L95.7Very high94Very high101 Ų10162 Ų6253%0.52932%0.324SS..Hα-helixtrans-59.9-44.2175-175.4146.2000111.9A492 V493 L498 L499 T500A492-L496 WeakPolarHBondContact O-CB 3.22Å; A492-L496 PolarHBondContact O-N 2.86Å; V493-L496 PolarHBondContact O-N 3.35Å; L496-L498 VanDerWaalsContact C-N 3.31Å; L496-L498 PolarHBondContact O-N 3.42Å; L496-L499 PolarHBondContact O-N 3.22Å; L496-T500 HydrophobicContact CD2-CG2 4.16Å; L496-T500 WeakPolarHBondContact O-CB 3.39Å; L496-T500 VanDerWaalsContact O-CG2 3.28Å; L496-T500 WeakPolarHBondContact O-CG2 3.38Å; L496-T500 PolarHBondContact O-N 3.41Å; L496-T500 PolarHBondContact O-OG1 3.3Å
497G95.6Very high93.9Very high1 Ų164.8 Ų64.81%0.0134%0.339CS..Hα-helixtrans-64.1-33.7175.500000113.5S417 S420 A421 V493 T494 F495 T500 A501S417-G497 WeakPolarHBondContact O-CA 3.28Å; S420-G497 VanDerWaalsContact OG-CA 3.25Å; S420-G497 WeakPolarHBondContact OG-CA 3.49Å; A421-G497 WeakPolarHBondContact CA-O 3.49Å; V493-G497 PolarHBondContact O-N 3.08Å; V493-G497 VanDerWaalsContact O-N 3.07Å; T494-G497 PolarHBondContact O-N 3.19Å; F495-G497 PolarHBondContact O-N 2.97Å; G497-T500 WeakPolarHBondContact CA-OG1 3.26Å; G497-T500 PolarHBondContact O-OG1 2.85Å; G497-A501 WeakPolarHBondContact O-CB 3.19Å; G497-A501 PolarHBondContact O-N 3.49Å
498L95.3Very high93.6Very high53 Ų5365.7 Ų65.728%0.27735%0.351SS..Hα-helixtrans-66.9-51174.4-179.8149.7000111.1S420 T424 T494 F495 L496 T500 A501 L502S420-L498 PolarHBondContact OG-N 3.3Å; T424-L498 HydrophobicContact CG2-CB 4.18Å; T424-L498 HydrophobicContact CG2-CD1 3.95Å; T424-L498 HydrophobicContact CG2-CG 3.77Å; T494-L498 PolarHBondContact O-N 2.89Å; F495-L498 WeakPolarHBondContact O-CB 3.47Å; F495-L498 PolarHBondContact O-N 2.91Å; F495-L498 VanDerWaalsContact O-N 3.16Å; L496-L498 VanDerWaalsContact C-N 3.31Å; L496-L498 PolarHBondContact O-N 3.42Å; L498-T500 PolarHBondContact O-N 3.03Å; L498-A501 PolarHBondContact O-N 3.11Å; L498-L502 HydrophobicContact CD2-CD1 3.6Å; L498-L502 HydrophobicContact CD2-CG 4.15Å; L498-L502 WeakPolarHBondContact O-CG 3.34Å; L498-L502 PolarHBondContact O-N 2.62Å
499L95.8Very high93.1Very high75 Ų7567.9 Ų67.939%0.39336%0.362SS..Hα-helixtrans-59.3-48.2-180-71.6179.9000112F495 L496 A501 L502 D503F495-L499 HydrophobicContact CD1-CD1 3.8Å; F495-L499 HydrophobicContact CD1-CG 4.26Å; F495-L499 HydrophobicContact CE1-CD1 3.37Å; F495-L499 HydrophobicContact CE1-CD2 4.39Å; F495-L499 HydrophobicContact CE1-CG 3.94Å; F495-L499 HydrophobicContact CZ-CD1 3.91Å; F495-L499 HydrophobicContact CZ-CD2 4.07Å; F495-L499 HydrophobicContact CZ-CG 4.06Å; F495-L499 PolarHBondContact O-N 2.94Å; L496-L499 PolarHBondContact O-N 3.22Å; L499-A501 VanDerWaalsContact C-N 3.3Å; L499-A501 PolarHBondContact O-N 3.42Å; L499-L502 PolarHBondContact O-N 3.27Å; L499-D503 PolarHBondContact O-N 2.99Å
500T94.6Very high92.8Very high61 Ų6171 Ų7137%0.37437%0.374SS..Hα-helixtrans-59.4-40.8179.451.10000112L496 G497 L498 D503 L504L496-T500 HydrophobicContact CD2-CG2 4.16Å; L496-T500 WeakPolarHBondContact O-CB 3.39Å; L496-T500 VanDerWaalsContact O-CG2 3.28Å; L496-T500 WeakPolarHBondContact O-CG2 3.38Å; L496-T500 PolarHBondContact O-N 3.41Å; L496-T500 PolarHBondContact O-OG1 3.3Å; G497-T500 WeakPolarHBondContact CA-OG1 3.26Å; G497-T500 PolarHBondContact O-OG1 2.85Å; L498-T500 PolarHBondContact O-N 3.03Å; T500-D503 PolarHBondContact O-N 3.43Å; T500-L504 WeakPolarHBondContact O-CB 3.42Å; T500-L504 WeakPolarHBondContact O-CG 3.28Å; T500-L504 PolarHBondContact O-N 3.2Å
501A94.4Very high92.1Very high6 Ų679.5 Ų79.55%0.0542%0.417CS..Hα-helixtrans-71-34.9177.100000113.8A421 T424 G497 L498 L499 N505A421-A501 HydrophobicContact CB-CB 3.97Å; A421-A501 WeakPolarHBondContact O-CB 2.97Å; T424-A501 WeakPolarHBondContact OG1-CB 3.47Å; G497-A501 WeakPolarHBondContact O-CB 3.19Å; G497-A501 PolarHBondContact O-N 3.49Å; L498-A501 PolarHBondContact O-N 3.11Å; L499-A501 VanDerWaalsContact C-N 3.3Å; L499-A501 PolarHBondContact O-N 3.42Å; A501-N505 WeakPolarHBondContact O-CB 3.2Å; A501-N505 PolarHBondContact O-N 3.45Å; A501-N505 PolarHBondContact O-ND2 3.04Å; A501-N505 VanDerWaalsContact O-ND2 3.12Å
502L93.6Very high91.5Very high73 Ų7383.3 Ų83.338%0.38243%0.43SS..Hα-helixtrans-61.6-47.5172.1-69.1-177.2000110.7L428 L498 L499 N505 Y506L428-L502 HydrophobicContact CD1-CD2 3.57Å; L428-L502 HydrophobicContact CD2-CD2 4.37Å; L428-L502 HydrophobicContact CG-CD2 4.34Å; L498-L502 HydrophobicContact CD2-CD1 3.6Å; L498-L502 HydrophobicContact CD2-CG 4.15Å; L498-L502 WeakPolarHBondContact O-CG 3.34Å; L498-L502 PolarHBondContact O-N 2.62Å; L499-L502 PolarHBondContact O-N 3.27Å; L502-N505 PolarHBondContact O-N 3.4Å; L502-Y506 PolarHBondContact O-N 2.96Å
503D94.3Very high90.8Very high107 Ų10790.1 Ų90.157%0.57246%0.455SS*.Hα-helixtrans-62.2-45.2178.8-76.8-10.6000111.7L499 T500 N505 Y506 L507L499-D503 PolarHBondContact O-N 2.99Å; T500-D503 PolarHBondContact O-N 3.43Å; D503-N505 VanDerWaalsContact C-N 3.33Å; D503-N505 PolarHBondContact O-N 3.02Å; D503-Y506 PolarHBondContact O-N 2.97Å; D503-L507 WeakPolarHBondContact O-CG 3.49Å; D503-L507 PolarHBondContact O-N 2.84Å
504L91.4Very high90.1Very high111 Ų11197.3 Ų97.358%0.58148%0.484SS*.Hα-helixtrans-59.9-42.4177.1-73.3173000111.9T500 L507 T508T500-L504 WeakPolarHBondContact O-CB 3.42Å; T500-L504 WeakPolarHBondContact O-CG 3.28Å; T500-L504 PolarHBondContact O-N 3.2Å; L504-L507 WeakPolarHBondContact O-CB 3.33Å; L504-L507 PolarHBondContact O-N 3.27Å; L504-T508 PolarHBondContact O-N 2.91Å; L504-T508 VanDerWaalsContact O-N 3.17Å
505N90.3Very high89.7Confident24 Ų24101.2 Ų101.213%0.12851%0.512CS..Hα-helixtrans-71.2-31.9176.7-72.7-34.7000112.5L428 A501 L502 D503 L507 T508L428-N505 HydrophobicContact CD1-CB 3.84Å; L428-N505 WeakPolarHBondContact CD1-ND2 3.33Å; A501-N505 WeakPolarHBondContact O-CB 3.2Å; A501-N505 PolarHBondContact O-N 3.45Å; A501-N505 PolarHBondContact O-ND2 3.04Å; A501-N505 VanDerWaalsContact O-ND2 3.12Å; L502-N505 PolarHBondContact O-N 3.4Å; D503-N505 VanDerWaalsContact C-N 3.33Å; D503-N505 PolarHBondContact O-N 3.02Å; N505-L507 VanDerWaalsContact C-N 3.29Å; N505-L507 PolarHBondContact O-N 3.14Å; N505-T508 PolarHBondContact O-N 3.43Å; N505-T508 PolarHBondContact O-OG1 3.42Å
506Y89.1Confident89.2Confident150 Ų15098.3 Ų98.359%0.58851%0.506SS*.Hα-helixtrans-65.1-37.1171.3-177.9-104.2000111.5L502 D503 T508 N509 K510L502-Y506 PolarHBondContact O-N 2.96Å; D503-Y506 PolarHBondContact O-N 2.97Å; Y506-T508 VanDerWaalsContact C-N 3.3Å; Y506-T508 PolarHBondContact O-N 3.43Å; Y506-N509 PolarHBondContact O-N 3.26Å; Y506-K510 VanDerWaalsContact CE1-CE 3.4Å
507L89.3Confident89.1Confident92 Ų9299.4 Ų99.448%0.48251%0.511SS..Hα-helixtrans-65.3-30.8174.5-67.9174.9000112.9D503 L504 N505 N509 K510D503-L507 WeakPolarHBondContact O-CG 3.49Å; D503-L507 PolarHBondContact O-N 2.84Å; L504-L507 WeakPolarHBondContact O-CB 3.33Å; L504-L507 PolarHBondContact O-N 3.27Å; N505-L507 VanDerWaalsContact C-N 3.29Å; N505-L507 PolarHBondContact O-N 3.14Å; L507-N509 VanDerWaalsContact C-N 3.25Å; L507-N509 PolarHBondContact O-N 2.85Å; L507-K510 HydrophobicContact CD2-CD 4.01Å; L507-K510 WeakPolarHBondContact O-CB 3.49Å; L507-K510 PolarHBondContact O-N 3.09Å; L507-K510 VanDerWaalsContact O-N 3.17Å
508T87.3Confident88.9Confident95 Ų95104.6 Ų104.658%0.58355%0.546SS*.Hα-helixtrans-67.5-25.1177.1570000113.5L504 N505 Y506 K510L504-T508 PolarHBondContact O-N 2.91Å; L504-T508 VanDerWaalsContact O-N 3.17Å; N505-T508 PolarHBondContact O-N 3.43Å; N505-T508 PolarHBondContact O-OG1 3.42Å; Y506-T508 VanDerWaalsContact C-N 3.3Å; Y506-T508 PolarHBondContact O-N 3.43Å; T508-K510 PolarHBondContact O-N 3.35Å
509N84.4Confident88.7Confident132 Ų132106.9 Ų106.971%0.70656%0.562SS**THydrogen-bonded Turntrans-75.8-14.5176.3-67.7-15.9000112.7Y506 L507Y506-N509 PolarHBondContact O-N 3.26Å; L507-N509 VanDerWaalsContact C-N 3.25Å; L507-N509 PolarHBondContact O-N 2.85Å
510K86.6Confident88.6Confident93 Ų93106.9 Ų106.940%0.40456%0.559SS.*SBendtrans-77.6139.5175.7-59.7-177.6-177.51780109.1Y506 L507 T508 K512Y506-K510 VanDerWaalsContact CE1-CE 3.4Å; L507-K510 HydrophobicContact CD2-CD 4.01Å; L507-K510 WeakPolarHBondContact O-CB 3.49Å; L507-K510 PolarHBondContact O-N 3.09Å; L507-K510 VanDerWaalsContact O-N 3.17Å; T508-K510 PolarHBondContact O-N 3.35Å; K510-K512 PolarHBondContact O-N 2.93Å
511L79.3Confident88.6Confident184 Ų184108.8 Ų108.896%0.96356%0.56SS**SBendtrans-72.763177.2-64169.4000111.8
512K83.1Confident88.6Confident160 Ų160112.8 Ų112.870%0.69658%0.577SS**  trans-121.7103.9174.1-69.1-172.9179.1-174.20109.1K510 K514K510-K512 PolarHBondContact O-N 2.93Å; K512-K514 PolarHBondContact O-N 3.46Å
513M81.3Confident88.7Confident199 Ų199109.7 Ų109.798%0.9856%0.561SS**  trans-75.5124.1168.3-71.4-168.1-175.600109.3
514K81.4Confident88.7Confident183 Ų183107 Ų10780%0.79655%0.547SS*.  trans-121.5143.1171.5-67.5-175.9177.9-176.80108.6K512K512-K514 PolarHBondContact O-N 3.46Å
515S84.8Confident88.8Confident103 Ų103106.2 Ų106.272%0.7254%0.542SS*.PPolyproline II helixtrans-66.4141.8169.448.90000110L517S515-L517 PolarHBondContact O-N 2.86Å
516P86.3Confident89Confident62 Ų62106.6 Ų106.640%0.40354%0.543SS..PPolyproline II helixtrans-64.5134175.526.7-34.3000110.5F520 Y521P516-F520 HydrophobicContact CB-CB 4.32Å; P516-F520 HydrophobicContact CB-CD1 3.61Å; P516-F520 HydrophobicContact CB-CE1 4.27Å; P516-F520 HydrophobicContact CB-CG 4.18Å; P516-Y521 HydrophobicContact CB-CE2 4.02Å; P516-Y521 HydrophobicContact CG-CE1 4.43Å; P516-Y521 HydrophobicContact CG-CE2 3.8Å; P516-Y521 WeakPolarHBondContact CG-OH 3.41Å
517L92.3Very high89.2Confident123 Ų123100.2 Ų100.264%0.64452%0.523SS*.PPolyproline II helixtrans-77.6160.9175.3-65.3166.2000111S515 T519 F520 Y521S515-L517 PolarHBondContact O-N 2.86Å; L517-T519 PolarHBondContact O-N 3.46Å; L517-T519 VanDerWaalsContact O-N 3.15Å; L517-F520 VanDerWaalsContact O-CB 3.31Å; L517-F520 WeakPolarHBondContact O-CB 3.36Å; L517-F520 PolarHBondContact O-N 3.44Å; L517-Y521 PolarHBondContact O-N 2.93Å
518C91.6Very high89.5Confident110 Ų11099.5 Ų99.574%0.74352%0.516SS*.Hα-helixtrans-55.1-33.4173.7-62.80000112.8F520 Y521 F522C518-F520 VanDerWaalsContact C-N 3.31Å; C518-F520 PolarHBondContact O-N 3.28Å; C518-Y521 PolarHBondContact O-N 3.34Å; C518-F522 PolarHBondContact O-N 3.47Å
519T92.4Very high89.8Confident101 Ų10198.2 Ų98.262%0.6250%0.501SS*.Hα-helixtrans-64.6-33.317652.40000112.9L517 S523L517-T519 PolarHBondContact O-N 3.46Å; L517-T519 VanDerWaalsContact O-N 3.15Å; T519-S523 PolarHBondContact O-N 3.43Å; T519-S523 VanDerWaalsContact O-N 3.15Å; T519-S523 PolarHBondContact O-OG 3.48Å; T519-S523 VanDerWaalsContact O-OG 3.1Å
520F93.3Very high90.3Very high76 Ų7693.3 Ų93.333%0.33348%0.476SS..Hα-helixtrans-66.7-44.6172.9176.6-96.1000110.7T294 P516 L517 C518 F522 S523 N524T294-F520 HydrophobicContact CG2-CD2 3.72Å; T294-F520 HydrophobicContact CG2-CE2 3.87Å; P516-F520 HydrophobicContact CB-CB 4.32Å; P516-F520 HydrophobicContact CB-CD1 3.61Å; P516-F520 HydrophobicContact CB-CE1 4.27Å; P516-F520 HydrophobicContact CB-CG 4.18Å; L517-F520 VanDerWaalsContact O-CB 3.31Å; L517-F520 WeakPolarHBondContact O-CB 3.36Å; L517-F520 PolarHBondContact O-N 3.44Å; C518-F520 VanDerWaalsContact C-N 3.31Å; C518-F520 PolarHBondContact O-N 3.28Å; F520-F522 PolarHBondContact O-N 3.07Å; F520-S523 PolarHBondContact O-N 2.97Å; F520-S523 PolarHBondContact O-OG 2.9Å; F520-N524 HydrophobicContact CE1-CB 4.42Å; F520-N524 HydrophobicContact CZ-CB 4.5Å; F520-N524 VanDerWaalsContact O-CB 3.26Å; F520-N524 WeakPolarHBondContact O-CB 3.37Å; F520-N524 PolarHBondContact O-N 2.92Å
521Y93.7Very high90.6Very high100 Ų10091.3 Ų91.339%0.39247%0.474SS..Hα-helixtrans-64.1-41.1176.5-69.8-62.9000112.6P516 L517 C518 S523 N524 M525P516-Y521 HydrophobicContact CB-CE2 4.02Å; P516-Y521 HydrophobicContact CG-CE1 4.43Å; P516-Y521 HydrophobicContact CG-CE2 3.8Å; P516-Y521 WeakPolarHBondContact CG-OH 3.41Å; L517-Y521 PolarHBondContact O-N 2.93Å; C518-Y521 PolarHBondContact O-N 3.34Å; Y521-S523 PolarHBondContact O-N 3.18Å; Y521-N524 PolarHBondContact O-N 3.27Å; Y521-M525 HydrophobicContact CD1-CE 4.28Å; Y521-M525 VanDerWaalsContact O-CB 3.32Å; Y521-M525 WeakPolarHBondContact O-CB 3.4Å; Y521-M525 PolarHBondContact O-N 3.2Å
522F95.4Very high91.4Very high90 Ų9087.3 Ų87.340%0.39545%0.453SS..Hα-helixtrans-57.6-49.1176178.4-94.5000112F287 C518 F520 L526 G527 F528F287-F522 HydrophobicContact CE2-CZ 4.36Å; C518-F522 PolarHBondContact O-N 3.47Å; F520-F522 PolarHBondContact O-N 3.07Å; F522-L526 PolarHBondContact O-N 2.96Å; F522-G527 VanDerWaalsContact CE2-CA 3.44Å; F522-G527 WeakPolarHBondContact O-CA 3.39Å; F522-G527 PolarHBondContact O-N 3.48Å; F522-F528 HydrophobicContact CB-CE2 4.35Å; F522-F528 HydrophobicContact CD2-CD2 4.23Å; F522-F528 HydrophobicContact CD2-CE2 4.26Å
523S95.5Very high92Very high8 Ų880.5 Ų80.56%0.05643%0.425CS..Hα-helixtrans-68.8-41.9179.655.30000112.8V290 T294 T519 F520 Y521 L526V290-S523 WeakPolarHBondContact O-CB 3.22Å; T294-S523 WeakPolarHBondContact CG2-OG 3.43Å; T294-S523 VanDerWaalsContact OG1-C 3.26Å; T294-S523 WeakPolarHBondContact OG1-CB 3.45Å; T294-S523 PolarHBondContact OG1-OG 2.89Å; T519-S523 PolarHBondContact O-N 3.43Å; T519-S523 VanDerWaalsContact O-N 3.15Å; T519-S523 PolarHBondContact O-OG 3.48Å; T519-S523 VanDerWaalsContact O-OG 3.1Å; F520-S523 PolarHBondContact O-N 2.97Å; F520-S523 PolarHBondContact O-OG 2.9Å; Y521-S523 PolarHBondContact O-N 3.18Å; S523-L526 PolarHBondContact O-N 3.37Å
524N94.4Very high92.6Very high51 Ų5174 Ų7427%0.27339%0.392SS..Hα-helixtrans-70.8-38.6-177.2-169.920.6000112.1T294 Q295 F520 Y521 L526T294-N524 WeakPolarHBondContact OG1-CA 3.11Å; T294-N524 PolarHBondContact OG1-N 2.88Å; Q295-N524 PolarHBondContact NE2-O 3.46Å; F520-N524 HydrophobicContact CE1-CB 4.42Å; F520-N524 HydrophobicContact CZ-CB 4.5Å; F520-N524 VanDerWaalsContact O-CB 3.26Å; F520-N524 WeakPolarHBondContact O-CB 3.37Å; F520-N524 PolarHBondContact O-N 2.92Å; Y521-N524 PolarHBondContact O-N 3.27Å; N524-L526 VanDerWaalsContact C-N 3.26Å; N524-L526 PolarHBondContact O-N 3.28Å
525M94.1Very high93.2Very high95 Ų9574.4 Ų74.447%0.46839%0.388SS..THydrogen-bonded Turntrans-89.422.9178.2-60.7-168.5179.100113.5Y521 G527 F528Y521-M525 HydrophobicContact CD1-CE 4.28Å; Y521-M525 VanDerWaalsContact O-CB 3.32Å; Y521-M525 WeakPolarHBondContact O-CB 3.4Å; Y521-M525 PolarHBondContact O-N 3.2Å; M525-G527 VanDerWaalsContact C-N 3.35Å; M525-G527 PolarHBondContact O-N 3Å; M525-F528 HydrophobicContact CB-CD1 3.86Å; M525-F528 HydrophobicContact CB-CE1 3.9Å; M525-F528 HydrophobicContact CG-CE1 4.22Å; M525-F528 WeakPolarHBondContact O-CA 3.45Å; M525-F528 PolarHBondContact O-N 2.83Å; M525-F528 HydrophobicContact SD-CD1 3.99Å; M525-F528 HydrophobicContact SD-CE1 3.53Å; M525-F528 VanDerWaalsContact SD-CE1 3.53Å
526L93.7Very high93.8Very high32 Ų3272.6 Ų72.617%0.16837%0.373CS..G310 helixtrans54.547.3173.7-52.2-176.9000113.2C291 Q295 F304 F522 S523 N524 F528 Y529 P530C291-L526 HydrophobicContact CB-CD2 3.84Å; Q295-L526 VanDerWaalsContact NE2-CD2 3.31Å; F304-L526 HydrophobicContact CE1-CD2 4.06Å; F304-L526 HydrophobicContact CE2-CD2 3.54Å; F304-L526 HydrophobicContact CZ-CD1 3.85Å; F304-L526 HydrophobicContact CZ-CD2 3.16Å; F304-L526 HydrophobicContact CZ-CG 4.1Å; F522-L526 PolarHBondContact O-N 2.96Å; S523-L526 PolarHBondContact O-N 3.37Å; N524-L526 VanDerWaalsContact C-N 3.26Å; N524-L526 PolarHBondContact O-N 3.28Å; L526-F528 PolarHBondContact O-N 2.71Å; L526-Y529 PolarHBondContact O-N 3Å; L526-Y529 VanDerWaalsContact O-N 3.11Å; L526-P530 HydrophobicContact CB-CG 4.11Å; L526-P530 HydrophobicContact CD1-CG 4.15Å; L526-P530 WeakPolarHBondContact O-CD 3.28Å
527G92.8Very high94.2Very high16 Ų1674.8 Ų74.817%0.16538%0.38CS..G310 helixtrans6420.1-178.100000114.5F522 M525 Y529F522-G527 VanDerWaalsContact CE2-CA 3.44Å; F522-G527 WeakPolarHBondContact O-CA 3.39Å; F522-G527 PolarHBondContact O-N 3.48Å; M525-G527 VanDerWaalsContact C-N 3.35Å; M525-G527 PolarHBondContact O-N 3Å; G527-Y529 PolarHBondContact O-N 3.37Å
528F95.1Very high94.4Very high76 Ų7671.9 Ų71.933%0.33337%0.369SS..G310 helixtrans56.810.9-169.7-51.6-73.5000114.1F522 M525 L526 S531 I532F522-F528 HydrophobicContact CB-CE2 4.35Å; F522-F528 HydrophobicContact CD2-CD2 4.23Å; F522-F528 HydrophobicContact CD2-CE2 4.26Å; M525-F528 HydrophobicContact CB-CD1 3.86Å; M525-F528 HydrophobicContact CB-CE1 3.9Å; M525-F528 HydrophobicContact CG-CE1 4.22Å; M525-F528 WeakPolarHBondContact O-CA 3.45Å; M525-F528 PolarHBondContact O-N 2.83Å; M525-F528 HydrophobicContact SD-CD1 3.99Å; M525-F528 HydrophobicContact SD-CE1 3.53Å; M525-F528 VanDerWaalsContact SD-CE1 3.53Å; L526-F528 PolarHBondContact O-N 2.71Å; F528-S531 VanDerWaalsContact C-OG 3.24Å; F528-S531 VanDerWaalsContact CA-OG 3.26Å; F528-S531 WeakPolarHBondContact CA-OG 3.36Å; F528-S531 PolarHBondContact O-N 2.83Å; F528-S531 PolarHBondContact O-OG 2.84Å; F528-I532 HydrophobicContact CB-CD1 4Å; F528-I532 HydrophobicContact CB-CG1 4.48Å; F528-I532 WeakPolarHBondContact O-CD1 3.43Å; F528-I532 VanDerWaalsContact O-CG1 3.28Å; F528-I532 WeakPolarHBondContact O-CG1 3.43Å; F528-I532 PolarHBondContact O-N 3.19Å
529Y94.9Very high94.6Very high69 Ų6973.8 Ų73.827%0.27136%0.361SS..Hα-helixtrans-64.9-56.1-173.5-175.7-81000110.7G228 H230 P231 L526 G527 S531 I532 T533G228-Y529 PolarHBondContact O-OH 3.09Å; H230-Y529 AromaticContact CE1-CD1 3.7Å; H230-Y529 AromaticContact CE1-CG 3.78Å; P231-Y529 HydrophobicContact CG-CD1 3.39Å; P231-Y529 HydrophobicContact CG-CE1 3.48Å; P231-Y529 VanDerWaalsContact CG-CE1 3.48Å; L526-Y529 PolarHBondContact O-N 3Å; L526-Y529 VanDerWaalsContact O-N 3.11Å; G527-Y529 PolarHBondContact O-N 3.37Å; Y529-S531 VanDerWaalsContact C-N 3.31Å; Y529-S531 PolarHBondContact O-N 3.22Å; Y529-I532 PolarHBondContact O-N 2.85Å; Y529-T533 HydrophobicContact CD1-CG2 4.15Å; Y529-T533 HydrophobicContact CD2-CG2 4.08Å; Y529-T533 HydrophobicContact CE1-CG2 3.81Å; Y529-T533 WeakPolarHBondContact CE1-OG1 3.42Å; Y529-T533 HydrophobicContact CE2-CG2 3.74Å; Y529-T533 HydrophobicContact CG-CG2 4.26Å; Y529-T533 PolarHBondContact O-N 3.42Å; Y529-T533 PolarHBondContact O-OG1 3.36Å
530P94.2Very high94.8Very high28 Ų2873.9 Ų73.918%0.18236%0.358CS..Hα-helixtrans-58.5-40.8177.5-23.635.7000112.8P231 L526 I532 H534P231-P530 HydrophobicContact CB-CG 4.28Å; L526-P530 HydrophobicContact CB-CG 4.11Å; L526-P530 HydrophobicContact CD1-CG 4.15Å; L526-P530 WeakPolarHBondContact O-CD 3.28Å; P530-I532 VanDerWaalsContact C-N 3.28Å; P530-I532 PolarHBondContact O-N 3.34Å; P530-H534 WeakPolarHBondContact O-CB 3.33Å; P530-H534 PolarHBondContact O-N 3.37Å
531S93.8Very high94.9Very high52 Ų5272 Ų7236%0.36436%0.36SS..Hα-helixtrans-63.8-32.6-178.847.60000113.5F528 Y529 R535F528-S531 VanDerWaalsContact C-OG 3.24Å; F528-S531 VanDerWaalsContact CA-OG 3.26Å; F528-S531 WeakPolarHBondContact CA-OG 3.36Å; F528-S531 PolarHBondContact O-N 2.83Å; F528-S531 PolarHBondContact O-OG 2.84Å; Y529-S531 VanDerWaalsContact C-N 3.31Å; Y529-S531 PolarHBondContact O-N 3.22Å; S531-R535 WeakPolarHBondContact O-CD 3.3Å; S531-R535 WeakPolarHBondContact O-CG 3.1Å
532I95.8Very high95Very high99 Ų9973 Ų7351%0.50837%0.371SS..Hα-helixtrans-84.7-61.4176.9-63.6165.5000108.7F528 Y529 P530 H534 R535 T536F528-I532 HydrophobicContact CB-CD1 4Å; F528-I532 HydrophobicContact CB-CG1 4.48Å; F528-I532 WeakPolarHBondContact O-CD1 3.43Å; F528-I532 VanDerWaalsContact O-CG1 3.28Å; F528-I532 WeakPolarHBondContact O-CG1 3.43Å; F528-I532 PolarHBondContact O-N 3.19Å; Y529-I532 PolarHBondContact O-N 2.85Å; P530-I532 VanDerWaalsContact C-N 3.28Å; P530-I532 PolarHBondContact O-N 3.34Å; I532-H534 PolarHBondContact O-N 2.91Å; I532-R535 PolarHBondContact O-N 3.4Å; I532-T536 HydrophobicContact CG2-CG2 4.42Å; I532-T536 WeakPolarHBondContact O-CG2 3.27Å; I532-T536 PolarHBondContact O-N 3.32Å; I532-T536 PolarHBondContact O-OG1 3.32Å
533T94.6Very high95.1Very high18 Ų1871.2 Ų71.211%0.1137%0.365CS..Hα-helixtrans-67.8-41.1-168.1610000113.4Y529 R535 I537 P538Y529-T533 HydrophobicContact CD1-CG2 4.15Å; Y529-T533 HydrophobicContact CD2-CG2 4.08Å; Y529-T533 HydrophobicContact CE1-CG2 3.81Å; Y529-T533 WeakPolarHBondContact CE1-OG1 3.42Å; Y529-T533 HydrophobicContact CE2-CG2 3.74Å; Y529-T533 HydrophobicContact CG-CG2 4.26Å; Y529-T533 PolarHBondContact O-N 3.42Å; Y529-T533 PolarHBondContact O-OG1 3.36Å; T533-R535 PolarHBondContact O-N 3.17Å; T533-I537 HydrophobicContact CG2-CD1 4.39Å; T533-I537 WeakPolarHBondContact O-CB 2.75Å; T533-I537 WeakPolarHBondContact O-CG1 3.21Å; T533-I537 PolarHBondContact O-N 3.15Å; T533-P538 WeakPolarHBondContact O-CD 3.29Å
534H94.7Very high95.2Very high63 Ų6374.3 Ų74.329%0.29238%0.384SS..Hα-helixtrans-76.3-12.8-178.6-57162.3000113Q170 Y174 P530 I532 P538Q170-H534 PolarHBondContact NE2-CE1 3.28Å; Y174-H534 AromaticContact CE2-NE2 3.78Å; Y174-H534 AromaticContact CZ-NE2 3.73Å; Y174-H534 PolarHBondContact OH-CD2 3.13Å; Y174-H534 PolarHBondContact OH-NE2 3.43Å; P530-H534 WeakPolarHBondContact O-CB 3.33Å; P530-H534 PolarHBondContact O-N 3.37Å; I532-H534 PolarHBondContact O-N 2.91Å; H534-P538 VanDerWaalsContact O-CD 3.25Å; H534-P538 WeakPolarHBondContact O-CD 3.3Å; H534-P538 WeakPolarHBondContact O-CG 3.4Å
535R94.3Very high95.3Very high190 Ų19074.7 Ų74.772%0.71739%0.39SS*.Hα-helixtrans-94.7-51.1173.2-66.6-172177.4-173.8-1.3111.4S531 I532 T533 Y539S531-R535 WeakPolarHBondContact O-CD 3.3Å; S531-R535 WeakPolarHBondContact O-CG 3.1Å; I532-R535 PolarHBondContact O-N 3.4Å; T533-R535 PolarHBondContact O-N 3.17Å; R535-Y539 WeakPolarHBondContact O-CB 3.45Å; R535-Y539 PolarHBondContact O-N 3.26Å
536T96.2Very high95.4Very high65 Ų6575 Ų7540%0.39939%0.391SS..Hα-helixtrans-72.1-45.4-172.4590000112.4I532 Y539 L540I532-T536 HydrophobicContact CG2-CG2 4.42Å; I532-T536 WeakPolarHBondContact O-CG2 3.27Å; I532-T536 PolarHBondContact O-N 3.32Å; I532-T536 PolarHBondContact O-OG1 3.32Å; T536-Y539 PolarHBondContact O-N 3.38Å; T536-L540 WeakPolarHBondContact O-CB 3.27Å; T536-L540 VanDerWaalsContact O-CG 3.32Å; T536-L540 WeakPolarHBondContact O-CG 3.3Å; T536-L540 PolarHBondContact O-N 3.11Å
537I95.3Very high95.6Very high109 Ų10977.3 Ų77.356%0.55940%0.403SS*.Hα-helixtrans-66.8-48.9-175-58.2170.4000111T533 Y539 L540 G541T533-I537 HydrophobicContact CG2-CD1 4.39Å; T533-I537 WeakPolarHBondContact O-CB 2.75Å; T533-I537 WeakPolarHBondContact O-CG1 3.21Å; T533-I537 PolarHBondContact O-N 3.15Å; I537-Y539 PolarHBondContact O-N 2.9Å; I537-L540 PolarHBondContact O-N 3.49Å; I537-G541 PolarHBondContact O-N 3.49Å
538P95.8Very high95.7Very high61 Ų6181.1 Ų81.140%0.39642%0.42SS..Hα-helixtrans-66.7-36.8177.1-24.738.8000113T533 H534 G541 L542T533-P538 WeakPolarHBondContact O-CD 3.29Å; H534-P538 VanDerWaalsContact O-CD 3.25Å; H534-P538 WeakPolarHBondContact O-CD 3.3Å; H534-P538 WeakPolarHBondContact O-CG 3.4Å; P538-G541 PolarHBondContact O-N 2.98Å; P538-L542 VanDerWaalsContact O-CB 3.3Å; P538-L542 WeakPolarHBondContact O-CB 2.97Å; P538-L542 VanDerWaalsContact O-CG 3.27Å; P538-L542 WeakPolarHBondContact O-CG 3.45Å; P538-L542 PolarHBondContact O-N 3.46Å
539Y96.7Very high95.7Very high150 Ų15080.1 Ų80.159%0.58842%0.42SS*.Hα-helixtrans-60.9-49.9176.5174.7-106.6000111.6R535 T536 I537 L543R535-Y539 WeakPolarHBondContact O-CB 3.45Å; R535-Y539 PolarHBondContact O-N 3.26Å; T536-Y539 PolarHBondContact O-N 3.38Å; I537-Y539 PolarHBondContact O-N 2.9Å; Y539-L543 HydrophobicContact CD1-CD1 3.93Å; Y539-L543 HydrophobicContact CD2-CD1 4.01Å; Y539-L543 HydrophobicContact CD2-CG 4.28Å; Y539-L543 HydrophobicContact CE1-CD1 3.4Å; Y539-L543 HydrophobicContact CE2-CD1 3.49Å; Y539-L543 VanDerWaalsContact CE2-CD1 3.49Å; Y539-L543 HydrophobicContact CE2-CG 4.04Å; Y539-L543 HydrophobicContact CG-CD1 4.22Å; Y539-L543 VanDerWaalsContact O-CB 3.3Å; Y539-L543 WeakPolarHBondContact O-CB 3.32Å; Y539-L543 VanDerWaalsContact O-CG 3.31Å; Y539-L543 WeakPolarHBondContact O-CG 3.44Å; Y539-L543 PolarHBondContact O-N 2.96Å; Y539-L543 WeakPolarHBondContact OH-CD1 3.44Å
540L96.5Very high95.8Very high104 Ų10481 Ų8155%0.54543%0.429SS..Hα-helixtrans-64.8-42.4177.3-69.1173.3000111.6T536 I537 T544T536-L540 WeakPolarHBondContact O-CB 3.27Å; T536-L540 VanDerWaalsContact O-CG 3.32Å; T536-L540 WeakPolarHBondContact O-CG 3.3Å; T536-L540 PolarHBondContact O-N 3.11Å; I537-L540 PolarHBondContact O-N 3.49Å; L540-T544 WeakPolarHBondContact O-CB 3.22Å; L540-T544 VanDerWaalsContact O-CG2 3.22Å; L540-T544 WeakPolarHBondContact O-CG2 3.34Å; L540-T544 PolarHBondContact O-N 2.94Å; L540-T544 PolarHBondContact O-OG1 3.32Å
541G95.9Very high95.9Very high36 Ų3683.1 Ų83.137%0.37144%0.439SS..Hα-helixtrans-61.3-47.3177.600000112.9I537 P538 T544 S545I537-G541 PolarHBondContact O-N 3.49Å; P538-G541 PolarHBondContact O-N 2.98Å; G541-T544 PolarHBondContact O-OG1 2.93Å; G541-S545 VanDerWaalsContact O-CB 3.27Å; G541-S545 WeakPolarHBondContact O-CB 3.31Å; G541-S545 PolarHBondContact O-N 2.74Å; G541-S545 PolarHBondContact O-OG 2.96Å
542L96.1Very high96Very high120 Ų12084.1 Ų84.163%0.62844%0.44SS*.Hα-helixtrans-69.1-43179.6-69.9173.9000111.7P538 S545 Q546P538-L542 VanDerWaalsContact O-CB 3.3Å; P538-L542 WeakPolarHBondContact O-CB 2.97Å; P538-L542 VanDerWaalsContact O-CG 3.27Å; P538-L542 WeakPolarHBondContact O-CG 3.45Å; P538-L542 PolarHBondContact O-N 3.46Å; L542-S545 WeakPolarHBondContact CA-OG 3.48Å; L542-S545 PolarHBondContact O-N 2.75Å; L542-S545 PolarHBondContact O-OG 3.44Å; L542-Q546 WeakPolarHBondContact O-CB 3.17Å; L542-Q546 PolarHBondContact O-N 2.88Å
543L97.3Very high96.1Very high54 Ų5483.5 Ų83.528%0.28344%0.437SS..Hα-helixtrans-62.9-44.1176.9-78.9-178.6000112.7Y539 S545 Q546 N547Y539-L543 HydrophobicContact CD1-CD1 3.93Å; Y539-L543 HydrophobicContact CD2-CD1 4.01Å; Y539-L543 HydrophobicContact CD2-CG 4.28Å; Y539-L543 HydrophobicContact CE1-CD1 3.4Å; Y539-L543 HydrophobicContact CE2-CD1 3.49Å; Y539-L543 VanDerWaalsContact CE2-CD1 3.49Å; Y539-L543 HydrophobicContact CE2-CG 4.04Å; Y539-L543 HydrophobicContact CG-CD1 4.22Å; Y539-L543 VanDerWaalsContact O-CB 3.3Å; Y539-L543 WeakPolarHBondContact O-CB 3.32Å; Y539-L543 VanDerWaalsContact O-CG 3.31Å; Y539-L543 WeakPolarHBondContact O-CG 3.44Å; Y539-L543 PolarHBondContact O-N 2.96Å; Y539-L543 WeakPolarHBondContact OH-CD1 3.44Å; L543-S545 VanDerWaalsContact C-N 3.33Å; L543-Q546 PolarHBondContact O-N 2.93Å; L543-N547 WeakPolarHBondContact O-CB 3.1Å; L543-N547 PolarHBondContact O-N 3.35Å
544T96.7Very high96.1Very high73 Ų7386.6 Ų86.645%0.44845%0.453SS..Hα-helixtrans-64.4-40.9176.252.20000110.7L540 G541 Q546 L548 P549L540-T544 WeakPolarHBondContact O-CB 3.22Å; L540-T544 VanDerWaalsContact O-CG2 3.22Å; L540-T544 WeakPolarHBondContact O-CG2 3.34Å; L540-T544 PolarHBondContact O-N 2.94Å; L540-T544 PolarHBondContact O-OG1 3.32Å; G541-T544 PolarHBondContact O-OG1 2.93Å; T544-Q546 VanDerWaalsContact C-N 3.34Å; T544-Q546 PolarHBondContact O-N 3.27Å; T544-L548 WeakPolarHBondContact O-CB 3.38Å; T544-L548 PolarHBondContact O-N 3Å; T544-P549 WeakPolarHBondContact O-CD 3.43Å
545S97.2Very high96.2Very high58 Ų5887.4 Ų87.441%0.40646%0.459SS..Hα-helixtrans-66.4-29.7176.277.60000114G541 L542 L543 P549G541-S545 VanDerWaalsContact O-CB 3.27Å; G541-S545 WeakPolarHBondContact O-CB 3.31Å; G541-S545 PolarHBondContact O-N 2.74Å; G541-S545 PolarHBondContact O-OG 2.96Å; L542-S545 WeakPolarHBondContact CA-OG 3.48Å; L542-S545 PolarHBondContact O-N 2.75Å; L542-S545 PolarHBondContact O-OG 3.44Å; L543-S545 VanDerWaalsContact C-N 3.33Å; S545-P549 WeakPolarHBondContact O-CD 3.4Å; S545-P549 WeakPolarHBondContact O-CG 3.35Å
546Q96.8Very high96.2Very high102 Ų10281.9 Ų81.948%0.47745%0.446SS..Iπ-helixtrans-81.3-48176.9-176.8-179.40.500111L542 L543 T544 L550 L551L542-Q546 WeakPolarHBondContact O-CB 3.17Å; L542-Q546 PolarHBondContact O-N 2.88Å; L543-Q546 PolarHBondContact O-N 2.93Å; T544-Q546 VanDerWaalsContact C-N 3.34Å; T544-Q546 PolarHBondContact O-N 3.27Å; Q546-L550 WeakPolarHBondContact O-CB 3.43Å; Q546-L551 HydrophobicContact CG-CD1 4.1Å; Q546-L551 WeakPolarHBondContact O-CG 3.48Å; Q546-L551 PolarHBondContact O-N 3Å
547N96.7Very high96.2Very high80 Ų8085.6 Ų85.643%0.42845%0.453SS..Iπ-helixtrans-78.7-41-169.8-67.4-19.2000112.5L543 L552L543-N547 WeakPolarHBondContact O-CB 3.1Å; L543-N547 PolarHBondContact O-N 3.35Å; N547-L552 WeakPolarHBondContact O-CB 3.4Å; N547-L552 PolarHBondContact O-N 2.71Å
548L95.1Very high96.3Very high97 Ų9784.7 Ų84.751%0.50845%0.449SS..Iπ-helixtrans-83.5-64.2-174.4-67.2172.3000112.8T544 L552 L553T544-L548 WeakPolarHBondContact O-CB 3.38Å; T544-L548 PolarHBondContact O-N 3Å; L548-L552 WeakPolarHBondContact O-CB 3.04Å; L548-L553 WeakPolarHBondContact O-CG 3.33Å; L548-L553 PolarHBondContact O-N 3.3Å
549P95.9Very high96.3Very high54 Ų5485.2 Ų85.235%0.35145%0.446SS..Iπ-helixtrans-75.9-49.2-176.429.9-30.8000111.9T544 S545 L553 D554T544-P549 WeakPolarHBondContact O-CD 3.43Å; S545-P549 WeakPolarHBondContact O-CD 3.4Å; S545-P549 WeakPolarHBondContact O-CG 3.35Å; P549-L553 WeakPolarHBondContact O-CB 3.37Å; P549-L553 PolarHBondContact O-N 2.84Å; P549-D554 PolarHBondContact O-N 3.37Å
550L95.9Very high96.2Very high87 Ų8784.9 Ų84.946%0.45545%0.448SS..Iπ-helixtrans-70.5-59.7-174.5-175.581.1000112.9Q546 L555Q546-L550 WeakPolarHBondContact O-CB 3.43Å; L550-L555 HydrophobicContact CG-CD1 4.23Å; L550-L555 WeakPolarHBondContact O-CB 3.35Å; L550-L555 WeakPolarHBondContact O-CG 3.32Å; L550-L555 PolarHBondContact O-N 3.02Å
551L96.6Very high96.2Very high73 Ų7384.6 Ų84.638%0.38245%0.446SS..Iπ-helixtrans-77.3-49.1-173.3-70.1171.5000112.4Q546 L555 T556Q546-L551 HydrophobicContact CG-CD1 4.1Å; Q546-L551 WeakPolarHBondContact O-CG 3.48Å; Q546-L551 PolarHBondContact O-N 3Å; L551-L555 HydrophobicContact CD2-CD1 4.08Å; L551-T556 VanDerWaalsContact O-CG2 3.32Å; L551-T556 WeakPolarHBondContact O-CG2 3.39Å; L551-T556 PolarHBondContact O-N 2.9Å; L551-T556 PolarHBondContact O-OG1 2.92Å
552L96.8Very high96.3Very high73 Ų7387.9 Ų87.938%0.38246%0.455SS..Iπ-helixtrans-79.6-52.5-174.7-170.2151.7000111.6N547 L548 T556 W557N547-L552 WeakPolarHBondContact O-CB 3.4Å; N547-L552 PolarHBondContact O-N 2.71Å; L548-L552 WeakPolarHBondContact O-CB 3.04Å; L552-T556 WeakPolarHBondContact CA-OG1 3.4Å; L552-T556 PolarHBondContact O-OG1 3.06Å; L552-W557 HydrophobicContact CD2-CG 4.43Å; L552-W557 WeakPolarHBondContact O-CB 3.18Å; L552-W557 PolarHBondContact O-N 2.84Å
553L96.3Very high96.2Very high87 Ų8785.8 Ų85.846%0.45545%0.448SS..Iπ-helixtrans-76.6-62.8-177.5-66.9172.9000112.1L548 P549 W557 L558L548-L553 WeakPolarHBondContact O-CG 3.33Å; L548-L553 PolarHBondContact O-N 3.3Å; P549-L553 WeakPolarHBondContact O-CB 3.37Å; P549-L553 PolarHBondContact O-N 2.84Å; L553-W557 PolarHBondContact O-N 2.8Å; L553-L558 WeakPolarHBondContact O-CB 3.42Å; L553-L558 WeakPolarHBondContact O-CG 3.2Å; L553-L558 PolarHBondContact O-N 3.3Å
554D95.5Very high96.1Very high83 Ų8388 Ų8844%0.44446%0.456SS..Iπ-helixtrans-71.9-53.9-167-65-16.9000112.1P549P549-D554 PolarHBondContact O-N 3.37Å
555L95.8Very high96.1Very high80 Ų8086.8 Ų86.842%0.41945%0.448SS..Iπ-helixtrans-78.9-26-174.1-70.7174.6000114.3L550 L551 E559L550-L555 HydrophobicContact CG-CD1 4.23Å; L550-L555 WeakPolarHBondContact O-CB 3.35Å; L550-L555 WeakPolarHBondContact O-CG 3.32Å; L550-L555 PolarHBondContact O-N 3.02Å; L551-L555 HydrophobicContact CD2-CD1 4.08Å; L555-E559 VanDerWaalsContact O-CD 3.32Å
556T95.7Very high96.1Very high73 Ų7388.2 Ų88.245%0.44845%0.45SS..Iπ-helixtrans-112.6-61.1-176.958.20000113.3L551 L552 K560L551-T556 VanDerWaalsContact O-CG2 3.32Å; L551-T556 WeakPolarHBondContact O-CG2 3.39Å; L551-T556 PolarHBondContact O-N 2.9Å; L551-T556 PolarHBondContact O-OG1 2.92Å; L552-T556 WeakPolarHBondContact CA-OG1 3.4Å; L552-T556 PolarHBondContact O-OG1 3.06Å; T556-K560 WeakPolarHBondContact O-CB 3.19Å; T556-K560 PolarHBondContact O-N 2.74Å
557W96.5Very high96.1Very high143 Ų14385.7 Ų85.754%0.54244%0.444SS..Iπ-helixtrans-70.7-49.2-173.7-84.198.5000113.2L552 L553 K560 L561L552-W557 HydrophobicContact CD2-CG 4.43Å; L552-W557 WeakPolarHBondContact O-CB 3.18Å; L552-W557 PolarHBondContact O-N 2.84Å; L553-W557 PolarHBondContact O-N 2.8Å; W557-K560 PolarHBondContact O-N 3.37Å; W557-L561 HydrophobicContact CB-CD1 4.49Å; W557-L561 HydrophobicContact CE3-CD1 3.86Å; W557-L561 HydrophobicContact CE3-CD2 4.18Å; W557-L561 HydrophobicContact CE3-CG 3.9Å; W557-L561 HydrophobicContact CZ3-CD2 4.26Å; W557-L561 HydrophobicContact CZ3-CG 4.46Å; W557-L561 WeakPolarHBondContact O-CB 3.42Å; W557-L561 WeakPolarHBondContact O-CG 3.39Å; W557-L561 PolarHBondContact O-N 2.88Å
558L96.9Very high96Very high90 Ų9088.5 Ų88.547%0.47146%0.455SS..Iπ-helixtrans-64.2-43.4-179.6-71.9179.1000111.3L553 L562 P563L553-L558 WeakPolarHBondContact O-CB 3.42Å; L553-L558 WeakPolarHBondContact O-CG 3.2Å; L553-L558 PolarHBondContact O-N 3.3Å; L558-L562 PolarHBondContact O-N 2.82Å; L558-P563 WeakPolarHBondContact O-CD 3.01Å
559E95.3Very high96Very high73 Ų7390 Ų9034%0.34146%0.459SS..Hα-helixtrans-64.3-39.7173.6-75.7-169.1-17200113.3L555 P563 K564L555-E559 VanDerWaalsContact O-CD 3.32Å; E559-P563 WeakPolarHBondContact O-CD 3.26Å; E559-P563 WeakPolarHBondContact O-CG 3.4Å; E559-K564 WeakPolarHBondContact O-CB 3.34Å; E559-K564 WeakPolarHBondContact O-CG 3.13Å; E559-K564 PolarHBondContact O-N 3.15Å; E559-K564 VanDerWaalsContact O-N 3.08Å; E559-K564 IonicContact OE2-NZ 2.74Å; E559-K564 PolarHBondContact OE2-NZ 3.27Å
560K95.4Very high95.9Very high143 Ų14393.4 Ų93.462%0.62247%0.47SS*.Iπ-helixtrans-73.4-42.9-178.1-169.4172.5-178.2179.70111.4T556 W557 T565T556-K560 WeakPolarHBondContact O-CB 3.19Å; T556-K560 PolarHBondContact O-N 2.74Å; W557-K560 PolarHBondContact O-N 3.37Å; K560-T565 WeakPolarHBondContact O-CG2 3.04Å; K560-T565 PolarHBondContact O-N 2.61Å
561L96.7Very high95.8Very high97 Ų9793.8 Ų93.851%0.50847%0.471SS..Iπ-helixtrans-68.6-34.6-173.8-78.5170.8000113.8W557 T565W557-L561 HydrophobicContact CB-CD1 4.49Å; W557-L561 HydrophobicContact CE3-CD1 3.86Å; W557-L561 HydrophobicContact CE3-CD2 4.18Å; W557-L561 HydrophobicContact CE3-CG 3.9Å; W557-L561 HydrophobicContact CZ3-CD2 4.26Å; W557-L561 HydrophobicContact CZ3-CG 4.46Å; W557-L561 WeakPolarHBondContact O-CB 3.42Å; W557-L561 WeakPolarHBondContact O-CG 3.39Å; W557-L561 PolarHBondContact O-N 2.88Å; L561-T565 PolarHBondContact O-OG1 2.85Å
562L96.1Very high95.7Very high105 Ų10592.6 Ų92.655%0.5547%0.469SS..Iπ-helixtrans-111-76-173.3-71.5170.6000112.5L558 K564 T565 I566L558-L562 PolarHBondContact O-N 2.82Å; L562-K564 PolarHBondContact O-N 2.97Å; L562-T565 PolarHBondContact O-OG1 3.31Å; L562-I566 VanDerWaalsContact O-CB 3.29Å; L562-I566 WeakPolarHBondContact O-CB 3.16Å; L562-I566 WeakPolarHBondContact O-CD1 3.42Å; L562-I566 WeakPolarHBondContact O-CG1 3.2Å; L562-I566 PolarHBondContact O-N 3.08Å
563P95.8Very high95.5Very high76 Ų7693 Ų9349%0.49448%0.475SS..Iπ-helixtrans-68.1-40.6-171.124.9-32.1000112.6L558 E559 S567L558-P563 WeakPolarHBondContact O-CD 3.01Å; E559-P563 WeakPolarHBondContact O-CD 3.26Å; E559-P563 WeakPolarHBondContact O-CG 3.4Å; P563-S567 VanDerWaalsContact O-CB 3.26Å; P563-S567 WeakPolarHBondContact O-CB 3.4Å; P563-S567 PolarHBondContact O-N 3.45Å; P563-S567 PolarHBondContact O-OG 2.9Å
564K95.2Very high95.4Very high102 Ų10291.6 Ų91.644%0.44347%0.472SS..Iπ-helixtrans-71-44.2-178.1-70176.2-176.9154.60112.1E559 L562 S567 Q568E559-K564 WeakPolarHBondContact O-CB 3.34Å; E559-K564 WeakPolarHBondContact O-CG 3.13Å; E559-K564 PolarHBondContact O-N 3.15Å; E559-K564 VanDerWaalsContact O-N 3.08Å; E559-K564 IonicContact OE2-NZ 2.74Å; E559-K564 PolarHBondContact OE2-NZ 3.27Å; L562-K564 PolarHBondContact O-N 2.97Å; K564-S567 WeakPolarHBondContact CA-OG 3.49Å; K564-S567 PolarHBondContact O-N 3.31Å; K564-S567 PolarHBondContact O-OG 2.83Å; K564-Q568 VanDerWaalsContact O-CB 3.22Å; K564-Q568 WeakPolarHBondContact O-CB 3.22Å; K564-Q568 PolarHBondContact O-N 3.35Å
565T96.7Very high95.3Very high47 Ų4792 Ų9229%0.28847%0.474SS..Hα-helixtrans-62.3-45.6175.249.20000111.6K560 L561 L562 Q568 H569K560-T565 WeakPolarHBondContact O-CG2 3.04Å; K560-T565 PolarHBondContact O-N 2.61Å; L561-T565 PolarHBondContact O-OG1 2.85Å; L562-T565 PolarHBondContact O-OG1 3.31Å; T565-Q568 PolarHBondContact O-N 3.03Å; T565-H569 WeakPolarHBondContact O-CB 3.29Å; T565-H569 PolarHBondContact O-CD2 3.42Å; T565-H569 PolarHBondContact O-N 3.29Å
566I96.5Very high95Very high87 Ų8793.9 Ų93.945%0.44648%0.483SS..Hα-helixtrans-61.7-47.5177.8-67.7167.4000110.3L562 Q568 H569 Q570L562-I566 VanDerWaalsContact O-CB 3.29Å; L562-I566 WeakPolarHBondContact O-CB 3.16Å; L562-I566 WeakPolarHBondContact O-CD1 3.42Å; L562-I566 WeakPolarHBondContact O-CG1 3.2Å; L562-I566 PolarHBondContact O-N 3.08Å; I566-Q568 VanDerWaalsContact C-N 3.33Å; I566-Q568 PolarHBondContact O-N 3.43Å; I566-H569 PolarHBondContact O-N 3.11Å; I566-Q570 HydrophobicContact CG2-CG 4.39Å; I566-Q570 WeakPolarHBondContact O-CB 3.36Å; I566-Q570 WeakPolarHBondContact O-CG 3.45Å; I566-Q570 PolarHBondContact O-N 2.84Å
567S96.8Very high94.6Very high50 Ų5095 Ų9535%0.3549%0.49SS..Hα-helixtrans-62.1-41.317871.20000111.8P563 K564 Q570 I571P563-S567 VanDerWaalsContact O-CB 3.26Å; P563-S567 WeakPolarHBondContact O-CB 3.4Å; P563-S567 PolarHBondContact O-N 3.45Å; P563-S567 PolarHBondContact O-OG 2.9Å; K564-S567 WeakPolarHBondContact CA-OG 3.49Å; K564-S567 PolarHBondContact O-N 3.31Å; K564-S567 PolarHBondContact O-OG 2.83Å; S567-Q570 PolarHBondContact O-N 2.85Å; S567-I571 WeakPolarHBondContact O-CB 3.42Å; S567-I571 WeakPolarHBondContact O-CD1 3.46Å; S567-I571 WeakPolarHBondContact O-CG1 3.42Å; S567-I571 PolarHBondContact O-N 2.85Å
568Q95.3Very high94.2Very high139 Ų13992.3 Ų92.365%0.6549%0.493SS*.Hα-helixtrans-66.4-41.5178.9-174.11730.700110.9K564 T565 I566 S572K564-Q568 VanDerWaalsContact O-CB 3.22Å; K564-Q568 WeakPolarHBondContact O-CB 3.22Å; K564-Q568 PolarHBondContact O-N 3.35Å; T565-Q568 PolarHBondContact O-N 3.03Å; I566-Q568 VanDerWaalsContact C-N 3.33Å; I566-Q568 PolarHBondContact O-N 3.43Å; Q568-S572 VanDerWaalsContact O-CB 3.31Å; Q568-S572 WeakPolarHBondContact O-CB 3.4Å; Q568-S572 PolarHBondContact O-N 3.23Å; Q568-S572 PolarHBondContact O-OG 3.21Å
569H94.1Very high93.7Very high127 Ų12792.5 Ų92.559%0.58850%0.498SS*.Hα-helixtrans-62.7-49173.8-78.7-57.7000111T565 I566 I571 S572 T573T565-H569 WeakPolarHBondContact O-CB 3.29Å; T565-H569 PolarHBondContact O-CD2 3.42Å; T565-H569 PolarHBondContact O-N 3.29Å; I566-H569 PolarHBondContact O-N 3.11Å; H569-I571 PolarHBondContact O-N 2.73Å; H569-S572 WeakPolarHBondContact CA-OG 3.15Å; H569-S572 PolarHBondContact O-N 2.88Å; H569-S572 PolarHBondContact O-OG 3.44Å; H569-T573 WeakPolarHBondContact O-CG2 3.32Å; H569-T573 PolarHBondContact O-N 2.91Å; H569-T573 PolarHBondContact O-OG1 2.99Å
570Q94.5Very high93.1Very high126 Ų12694.3 Ų94.359%0.58951%0.506SS*.Hα-helixtrans-58.1-48.1177.3-74.8-178.8-12.600112.1I566 S567 S572 T573 S574I566-Q570 HydrophobicContact CG2-CG 4.39Å; I566-Q570 WeakPolarHBondContact O-CB 3.36Å; I566-Q570 WeakPolarHBondContact O-CG 3.45Å; I566-Q570 PolarHBondContact O-N 2.84Å; S567-Q570 PolarHBondContact O-N 2.85Å; Q570-S572 VanDerWaalsContact C-N 3.35Å; Q570-S572 PolarHBondContact O-N 2.76Å; Q570-T573 WeakPolarHBondContact CA-OG1 3.42Å; Q570-T573 PolarHBondContact O-N 2.9Å; Q570-T573 PolarHBondContact O-OG1 2.91Å; Q570-S574 WeakPolarHBondContact O-CB 3.48Å; Q570-S574 PolarHBondContact O-N 3.18Å; Q570-S574 PolarHBondContact O-OG 3.27Å
571I94.3Very high92.6Very high95 Ų9595.3 Ų95.349%0.48751%0.511SS..Hα-helixtrans-60.5-44.7177.2-69.4164000110.6S567 H569 T573 S574 I575S567-I571 WeakPolarHBondContact O-CB 3.42Å; S567-I571 WeakPolarHBondContact O-CD1 3.46Å; S567-I571 WeakPolarHBondContact O-CG1 3.42Å; S567-I571 PolarHBondContact O-N 2.85Å; H569-I571 PolarHBondContact O-N 2.73Å; I571-T573 PolarHBondContact O-N 3.35Å; I571-S574 WeakPolarHBondContact CA-OG 3.31Å; I571-S574 PolarHBondContact O-N 2.89Å; I571-S574 PolarHBondContact O-OG 3.48Å; I571-I575 HydrophobicContact CG2-CD1 3.58Å; I571-I575 HydrophobicContact CG2-CG1 4.29Å; I571-I575 WeakPolarHBondContact O-CB 3.43Å; I571-I575 WeakPolarHBondContact O-CD1 3.18Å; I571-I575 WeakPolarHBondContact O-CG1 3.39Å; I571-I575 PolarHBondContact O-N 2.81Å
572S93.6Very high92.1Very high48 Ų4893.1 Ų93.134%0.33651%0.511SS..Hα-helixtrans-62.9-43.4178.470.80000111.8Q568 H569 Q570 I575 I576Q568-S572 VanDerWaalsContact O-CB 3.31Å; Q568-S572 WeakPolarHBondContact O-CB 3.4Å; Q568-S572 PolarHBondContact O-N 3.23Å; Q568-S572 PolarHBondContact O-OG 3.21Å; H569-S572 WeakPolarHBondContact CA-OG 3.15Å; H569-S572 PolarHBondContact O-N 2.88Å; H569-S572 PolarHBondContact O-OG 3.44Å; Q570-S572 VanDerWaalsContact C-N 3.35Å; Q570-S572 PolarHBondContact O-N 2.76Å; S572-I575 PolarHBondContact O-N 3.33Å; S572-I576 WeakPolarHBondContact O-CD1 3.35Å; S572-I576 VanDerWaalsContact O-CG1 3.23Å; S572-I576 WeakPolarHBondContact O-CG1 3.23Å; S572-I576 PolarHBondContact O-N 3.44Å; S572-I576 VanDerWaalsContact O-N 3.09Å
573T92.8Very high91.8Very high82 Ų8293 Ų9350%0.50351%0.509SS..Hα-helixtrans-65.9-41.3176.3570000112H569 Q570 I571 I576 T577H569-T573 WeakPolarHBondContact O-CG2 3.32Å; H569-T573 PolarHBondContact O-N 2.91Å; H569-T573 PolarHBondContact O-OG1 2.99Å; Q570-T573 WeakPolarHBondContact CA-OG1 3.42Å; Q570-T573 PolarHBondContact O-N 2.9Å; Q570-T573 PolarHBondContact O-OG1 2.91Å; I571-T573 PolarHBondContact O-N 3.35Å; T573-I576 PolarHBondContact O-N 3.49Å; T573-T577 WeakPolarHBondContact O-CG2 3.31Å; T573-T577 PolarHBondContact O-N 3.12Å; T573-T577 PolarHBondContact O-OG1 3.13Å
574S94.3Very high91.4Very high57 Ų5795.1 Ų95.140%0.39952%0.515SS..Hα-helixtrans-65.4-43.417968.10000111.2Q570 I571 I576 T577 S578Q570-S574 WeakPolarHBondContact O-CB 3.48Å; Q570-S574 PolarHBondContact O-N 3.18Å; Q570-S574 PolarHBondContact O-OG 3.27Å; I571-S574 WeakPolarHBondContact CA-OG 3.31Å; I571-S574 PolarHBondContact O-N 2.89Å; I571-S574 PolarHBondContact O-OG 3.48Å; S574-I576 PolarHBondContact O-N 3.32Å; S574-T577 WeakPolarHBondContact CA-OG1 3.49Å; S574-T577 PolarHBondContact O-N 2.91Å; S574-T577 PolarHBondContact O-OG1 3.09Å; S574-S578 VanDerWaalsContact O-CB 3.28Å; S574-S578 WeakPolarHBondContact O-CB 3.28Å; S574-S578 PolarHBondContact O-N 3.5Å; S574-S578 PolarHBondContact O-OG 3.21Å
575I92.5Very high91.1Very high92 Ų9298.4 Ų98.447%0.47253%0.529SS..Hα-helixtrans-58-52.1176-69.2165.9000109.6I571 S572 T577 S578 T579I571-I575 HydrophobicContact CG2-CD1 3.58Å; I571-I575 HydrophobicContact CG2-CG1 4.29Å; I571-I575 WeakPolarHBondContact O-CB 3.43Å; I571-I575 WeakPolarHBondContact O-CD1 3.18Å; I571-I575 WeakPolarHBondContact O-CG1 3.39Å; I571-I575 PolarHBondContact O-N 2.81Å; S572-I575 PolarHBondContact O-N 3.33Å; I575-T577 VanDerWaalsContact C-N 3.32Å; I575-T577 PolarHBondContact O-N 3.17Å; I575-S578 PolarHBondContact O-N 2.99Å; I575-S578 PolarHBondContact O-OG 3.31Å; I575-S578 VanDerWaalsContact O-OG 3.05Å; I575-T579 HydrophobicContact CG2-CG2 4.27Å; I575-T579 VanDerWaalsContact O-CG2 3.31Å; I575-T579 WeakPolarHBondContact O-CG2 3.4Å; I575-T579 PolarHBondContact O-N 3.38Å; I575-T579 VanDerWaalsContact O-N 3.13Å; I575-T579 PolarHBondContact O-OG1 3.05Å
576I90.4Very high90.7Very high120 Ų120100 Ų10062%0.61554%0.536SS*.Hα-helixtrans-57.4-43.1-179.8-66.7163.8000111.8S572 T573 S574 T579S572-I576 WeakPolarHBondContact O-CD1 3.35Å; S572-I576 VanDerWaalsContact O-CG1 3.23Å; S572-I576 WeakPolarHBondContact O-CG1 3.23Å; S572-I576 PolarHBondContact O-N 3.44Å; S572-I576 VanDerWaalsContact O-N 3.09Å; T573-I576 PolarHBondContact O-N 3.49Å; S574-I576 PolarHBondContact O-N 3.32Å; I576-T579 PolarHBondContact O-OG1 3.24Å; I576-T579 VanDerWaalsContact O-OG1 3.12Å
577T87.6Confident90.2Very high97 Ų97100.1 Ų100.160%0.59553%0.531SS*.Hα-helixtrans-70.4-38.7179.758.10000113.4T573 S574 I575T573-T577 WeakPolarHBondContact O-CG2 3.31Å; T573-T577 PolarHBondContact O-N 3.12Å; T573-T577 PolarHBondContact O-OG1 3.13Å; S574-T577 WeakPolarHBondContact CA-OG1 3.49Å; S574-T577 PolarHBondContact O-N 2.91Å; S574-T577 PolarHBondContact O-OG1 3.09Å; I575-T577 VanDerWaalsContact C-N 3.32Å; I575-T577 PolarHBondContact O-N 3.17Å
578S87.3Confident89.8Confident86 Ų86103.8 Ų103.860%0.60154%0.541SS*.Hα-helixtrans-78.4-19.3-175.367.90000114.4S574 I575 Q580S574-S578 VanDerWaalsContact O-CB 3.28Å; S574-S578 WeakPolarHBondContact O-CB 3.28Å; S574-S578 PolarHBondContact O-N 3.5Å; S574-S578 PolarHBondContact O-OG 3.21Å; I575-S578 PolarHBondContact O-N 2.99Å; I575-S578 PolarHBondContact O-OG 3.31Å; I575-S578 VanDerWaalsContact O-OG 3.05Å; S578-Q580 PolarHBondContact O-N 2.83Å
579T87.1Confident89.4Confident94 Ų94101.4 Ų101.458%0.57753%0.532SS*.  trans-7643.8-178.949.30000113.7I575 I576I575-T579 HydrophobicContact CG2-CG2 4.27Å; I575-T579 VanDerWaalsContact O-CG2 3.31Å; I575-T579 WeakPolarHBondContact O-CG2 3.4Å; I575-T579 PolarHBondContact O-N 3.38Å; I575-T579 VanDerWaalsContact O-N 3.13Å; I575-T579 PolarHBondContact O-OG1 3.05Å; I576-T579 PolarHBondContact O-OG1 3.24Å; I576-T579 VanDerWaalsContact O-OG1 3.12Å
580Q83.3Confident89Confident111 Ų11198.2 Ų98.252%0.51953%0.525SS..  trans-83.9131.6172.9-60.8-62.5-25.200110.2S578 G582 Y587S578-Q580 PolarHBondContact O-N 2.83Å; Q580-G582 VanDerWaalsContact C-N 3.26Å; Q580-G582 PolarHBondContact O-N 3.27Å; Q580-Y587 HydrophobicContact CB-CE1 4.18Å; Q580-Y587 WeakPolarHBondContact CB-OH 3.41Å; Q580-Y587 HydrophobicContact CG-CE1 4.38Å
581K84.4Confident88.6Confident164 Ų16498.9 Ų98.971%0.71353%0.526SS*.  trans-82.57.6-173.1-62-178-178.3177.10114.7M583K581-M583 HydrophobicContact CB-CE 3.9Å; K581-M583 HydrophobicContact CB-CG 4.26Å; K581-M583 HydrophobicContact CD-CE 3.85Å; K581-M583 PolarHBondContact O-N 3.48Å; K581-M583 VanDerWaalsContact O-N 3.16Å
582G84.9Confident88.2Confident51 Ų51100.9 Ų100.953%0.52653%0.531SS..  trans68.19.7-179.800000115.6Q580 I584Q580-G582 VanDerWaalsContact C-N 3.26Å; Q580-G582 PolarHBondContact O-N 3.27Å; G582-I584 PolarHBondContact O-N 3.16Å
583M89.6Confident87.8Confident103 Ų103104.7 Ų104.751%0.50754%0.542SS..  trans-84.3115.7-177.1-58.9-175-157.200111.4K581 K585 L586 Y587K581-M583 HydrophobicContact CB-CE 3.9Å; K581-M583 HydrophobicContact CB-CG 4.26Å; K581-M583 HydrophobicContact CD-CE 3.85Å; K581-M583 PolarHBondContact O-N 3.48Å; K581-M583 VanDerWaalsContact O-N 3.16Å; M583-K585 PolarHBondContact O-N 3.44Å; M583-K585 VanDerWaalsContact O-N 3.11Å; M583-L586 HydrophobicContact CB-CD1 4.2Å; M583-L586 HydrophobicContact CB-CG 4.3Å; M583-L586 PolarHBondContact O-N 3.11Å; M583-L586 HydrophobicContact SD-CD1 4.25Å; M583-Y587 PolarHBondContact O-N 2.93Å
584I87.6Confident87.4Confident120 Ų120103.9 Ų103.962%0.61554%0.538SS*.Hα-helixtrans-52-37.6179.8-63169.1000112.5G582 L586 Y587 F588G582-I584 PolarHBondContact O-N 3.16Å; I584-L586 VanDerWaalsContact C-N 3.33Å; I584-L586 PolarHBondContact O-N 3.15Å; I584-Y587 PolarHBondContact O-N 3.39Å; I584-F588 HydrophobicContact CG2-CD2 3.54Å; I584-F588 HydrophobicContact CG2-CE2 3.29Å; I584-F588 HydrophobicContact CG2-CZ 4.4Å; I584-F588 WeakPolarHBondContact O-CD2 3.46Å; I584-F588 PolarHBondContact O-N 3.4Å
585K89.6Confident86.8Confident170 Ų170106.1 Ų106.174%0.73955%0.545SS*.Hα-helixtrans-57-42.9177.2-176.3179.3179.2-179.80112.8M583 L589M583-K585 PolarHBondContact O-N 3.44Å; M583-K585 VanDerWaalsContact O-N 3.11Å; K585-L589 WeakPolarHBondContact O-CB 3.31Å; K585-L589 PolarHBondContact O-N 3.07Å
586L88.3Confident86.5Confident82 Ų82106.2 Ų106.243%0.42955%0.545SS..Hα-helixtrans-71-36-179.3-67.4174.8000111.1M583 I584 L589 S590M583-L586 HydrophobicContact CB-CD1 4.2Å; M583-L586 HydrophobicContact CB-CG 4.3Å; M583-L586 PolarHBondContact O-N 3.11Å; M583-L586 HydrophobicContact SD-CD1 4.25Å; I584-L586 VanDerWaalsContact C-N 3.33Å; I584-L586 PolarHBondContact O-N 3.15Å; L586-L589 PolarHBondContact O-N 2.68Å; L586-S590 WeakPolarHBondContact O-CB 2.86Å; L586-S590 PolarHBondContact O-N 3.22Å
587Y87Confident86.1Confident88 Ų88105.2 Ų105.235%0.34554%0.541SS..Hα-helixtrans-66-46.1177.2-62.7-46.4000112.5Q580 M583 I584 L589 S590 F591Q580-Y587 HydrophobicContact CB-CE1 4.18Å; Q580-Y587 WeakPolarHBondContact CB-OH 3.41Å; Q580-Y587 HydrophobicContact CG-CE1 4.38Å; M583-Y587 PolarHBondContact O-N 2.93Å; I584-Y587 PolarHBondContact O-N 3.39Å; Y587-L589 VanDerWaalsContact C-N 3.32Å; Y587-L589 PolarHBondContact O-N 3.17Å; Y587-S590 PolarHBondContact O-N 3.4Å; Y587-S590 VanDerWaalsContact O-N 3.17Å; Y587-S590 PolarHBondContact O-OG 3.37Å; Y587-F591 WeakPolarHBondContact O-CD2 3.39Å; Y587-F591 PolarHBondContact O-N 2.99Å; Y587-F591 VanDerWaalsContact O-N 3.15Å
588F86.5Confident86Confident127 Ų127103.7 Ų103.756%0.55753%0.532SS*.Hα-helixtrans-60.9-42.3175.3-78.7-58.6000112.4I584 S590 F591 F592I584-F588 HydrophobicContact CG2-CD2 3.54Å; I584-F588 HydrophobicContact CG2-CE2 3.29Å; I584-F588 HydrophobicContact CG2-CZ 4.4Å; I584-F588 WeakPolarHBondContact O-CD2 3.46Å; I584-F588 PolarHBondContact O-N 3.4Å; F588-S590 VanDerWaalsContact C-N 3.28Å; F588-S590 PolarHBondContact O-N 3.43Å; F588-F591 PolarHBondContact O-N 3.11Å; F588-F591 VanDerWaalsContact O-N 3.11Å; F588-F592 WeakPolarHBondContact O-CD2 3.22Å; F588-F592 PolarHBondContact O-N 3.46Å
589L87.7Confident85.7Confident89 Ų89104.9 Ų104.947%0.46653%0.531SS..Hα-helixtrans-63.1-36.1177.5-162.5140.9000111.6K585 L586 Y587 F591 F592 F593K585-L589 WeakPolarHBondContact O-CB 3.31Å; K585-L589 PolarHBondContact O-N 3.07Å; L586-L589 PolarHBondContact O-N 2.68Å; Y587-L589 VanDerWaalsContact C-N 3.32Å; Y587-L589 PolarHBondContact O-N 3.17Å; L589-F591 VanDerWaalsContact C-N 3.33Å; L589-F591 PolarHBondContact O-N 2.91Å; L589-F592 PolarHBondContact O-N 3.02Å; L589-F593 HydrophobicContact CD2-CD2 3.87Å; L589-F593 HydrophobicContact CD2-CE2 3.5Å; L589-F593 HydrophobicContact CG-CE2 4.34Å; L589-F593 WeakPolarHBondContact O-CD2 3.44Å; L589-F593 PolarHBondContact O-N 3.37Å
590S86.9Confident85.4Confident61 Ų61106.1 Ų106.143%0.42753%0.533SS..Hα-helixtrans-69-22.4173.976.20000114.8L586 Y587 F588 P594L586-S590 WeakPolarHBondContact O-CB 2.86Å; L586-S590 PolarHBondContact O-N 3.22Å; Y587-S590 PolarHBondContact O-N 3.4Å; Y587-S590 VanDerWaalsContact O-N 3.17Å; Y587-S590 PolarHBondContact O-OG 3.37Å; F588-S590 VanDerWaalsContact C-N 3.28Å; F588-S590 PolarHBondContact O-N 3.43Å; S590-P594 WeakPolarHBondContact O-CD 3.36Å; S590-P594 VanDerWaalsContact O-CG 3.31Å; S590-P594 WeakPolarHBondContact O-CG 3.45Å
591F85.3Confident85.2Confident140 Ų140107.2 Ų107.261%0.61454%0.542SS*.Hα-helixtrans-82.9-32.6173.4-72.9-58.2000112.8Y587 F588 L589 P594Y587-F591 WeakPolarHBondContact O-CD2 3.39Å; Y587-F591 PolarHBondContact O-N 2.99Å; Y587-F591 VanDerWaalsContact O-N 3.15Å; F588-F591 PolarHBondContact O-N 3.11Å; F588-F591 VanDerWaalsContact O-N 3.11Å; L589-F591 VanDerWaalsContact C-N 3.33Å; L589-F591 PolarHBondContact O-N 2.91Å; F591-P594 WeakPolarHBondContact O-CD 3.12Å; F591-P594 WeakPolarHBondContact O-CG 3.34Å
592F86Confident84.5Confident136 Ų136106.5 Ų106.560%0.59654%0.544SS*.Hα-helixtrans-67.2-40.1177.5-87.3-73.3000112.8F588 L589 L595 I596F588-F592 WeakPolarHBondContact O-CD2 3.22Å; F588-F592 PolarHBondContact O-N 3.46Å; L589-F592 PolarHBondContact O-N 3.02Å; F592-L595 WeakPolarHBondContact O-CB 3.21Å; F592-L595 PolarHBondContact O-N 3.45Å; F592-I596 WeakPolarHBondContact O-CG1 3.46Å; F592-I596 PolarHBondContact O-N 3.24Å
593F84.6Confident83Confident129 Ų129111.3 Ų111.357%0.56656%0.564SS**Hα-helixtrans-56.9-54.5-179.6-91.9-68.3000114.6L589 L595 I596 L597L589-F593 HydrophobicContact CD2-CD2 3.87Å; L589-F593 HydrophobicContact CD2-CE2 3.5Å; L589-F593 HydrophobicContact CG-CE2 4.34Å; L589-F593 WeakPolarHBondContact O-CD2 3.44Å; L589-F593 PolarHBondContact O-N 3.37Å; F593-L595 VanDerWaalsContact C-N 3.28Å; F593-L595 PolarHBondContact O-N 3.46Å; F593-I596 PolarHBondContact O-N 3.45Å; F593-L597 WeakPolarHBondContact O-CB 3.25Å; F593-L597 PolarHBondContact O-N 2.92Å
594P83.9Confident82.7Confident65 Ų65111.8 Ų111.842%0.42257%0.567SS.*Hα-helixtrans-65.3-31.1178.123.3-31000112.1S590 F591 L597 T598S590-P594 WeakPolarHBondContact O-CD 3.36Å; S590-P594 VanDerWaalsContact O-CG 3.31Å; S590-P594 WeakPolarHBondContact O-CG 3.45Å; F591-P594 WeakPolarHBondContact O-CD 3.12Å; F591-P594 WeakPolarHBondContact O-CG 3.34Å; P594-L597 PolarHBondContact O-N 3.48Å; P594-T598 WeakPolarHBondContact O-CB 3.41Å; P594-T598 VanDerWaalsContact O-CG2 3.25Å; P594-T598 WeakPolarHBondContact O-CG2 3.39Å; P594-T598 PolarHBondContact O-N 3.39Å; P594-T598 PolarHBondContact O-OG1 2.75Å
595L83.1Confident82.5Confident103 Ų103111.3 Ų111.354%0.53956%0.564SS.*Hα-helixtrans-61-47.8174.2-118.6154.3000111.4F592 F593 L597 T598 L599F592-L595 WeakPolarHBondContact O-CB 3.21Å; F592-L595 PolarHBondContact O-N 3.45Å; F593-L595 VanDerWaalsContact C-N 3.28Å; F593-L595 PolarHBondContact O-N 3.46Å; L595-L597 VanDerWaalsContact C-N 3.33Å; L595-L597 PolarHBondContact O-N 3.02Å; L595-T598 PolarHBondContact O-N 2.85Å; L595-T598 PolarHBondContact O-OG1 3.29Å; L595-L599 HydrophobicContact CD2-CD1 4.4Å; L595-L599 PolarHBondContact O-N 3.39Å
596I84.8Confident82.1Confident94 Ų94108.1 Ų108.148%0.48255%0.554SS.*Hα-helixtrans-62.3-42.4174.1-66165.6000110.8F592 F593 L599 L600F592-I596 WeakPolarHBondContact O-CG1 3.46Å; F592-I596 PolarHBondContact O-N 3.24Å; F593-I596 PolarHBondContact O-N 3.45Å; I596-L599 PolarHBondContact O-N 3.42Å; I596-L600 HydrophobicContact CG2-CD1 3.88Å; I596-L600 WeakPolarHBondContact O-CB 3.46Å; I596-L600 PolarHBondContact O-N 3.19Å
597L83.3Confident81.7Confident99 Ų99109.6 Ų109.652%0.51856%0.562SS.*Hα-helixtrans-67.9-37.7-178.3-136.9153.9000112F593 P594 L595 L600 L601F593-L597 WeakPolarHBondContact O-CB 3.25Å; F593-L597 PolarHBondContact O-N 2.92Å; P594-L597 PolarHBondContact O-N 3.48Å; L595-L597 VanDerWaalsContact C-N 3.33Å; L595-L597 PolarHBondContact O-N 3.02Å; L597-L600 PolarHBondContact O-N 3.29Å; L597-L601 HydrophobicContact CD2-CD1 3.39Å; L597-L601 HydrophobicContact CD2-CG 4.09Å; L597-L601 WeakPolarHBondContact O-CB 3.42Å; L597-L601 WeakPolarHBondContact O-CG 3.36Å; L597-L601 PolarHBondContact O-N 3.29Å
598T84.8Confident81.4Confident66 Ų66110.9 Ų110.941%0.40558%0.575SS.*Hα-helixtrans-68.4-41.4173.855.10000111.7P594 L595 L600 L601 I602P594-T598 WeakPolarHBondContact O-CB 3.41Å; P594-T598 VanDerWaalsContact O-CG2 3.25Å; P594-T598 WeakPolarHBondContact O-CG2 3.39Å; P594-T598 PolarHBondContact O-N 3.39Å; P594-T598 PolarHBondContact O-OG1 2.75Å; L595-T598 PolarHBondContact O-N 2.85Å; L595-T598 PolarHBondContact O-OG1 3.29Å; T598-L600 VanDerWaalsContact C-N 3.33Å; T598-L600 PolarHBondContact O-N 3.04Å; T598-L601 PolarHBondContact O-N 2.93Å; T598-I602 WeakPolarHBondContact O-CB 3.33Å; T598-I602 WeakPolarHBondContact O-CD1 3.39Å; T598-I602 WeakPolarHBondContact O-CG1 3.39Å; T598-I602 PolarHBondContact O-N 3.4Å
599L81.2Confident81Confident111 Ų111109.9 Ų109.958%0.58158%0.576SS**Hα-helixtrans-59.4-45.3173.6-85155.5000111L595 I596 I602 T603L595-L599 HydrophobicContact CD2-CD1 4.4Å; L595-L599 PolarHBondContact O-N 3.39Å; I596-L599 PolarHBondContact O-N 3.42Å; L599-I602 PolarHBondContact O-N 3.07Å; L599-T603 WeakPolarHBondContact O-CG2 3.46Å; L599-T603 PolarHBondContact O-N 3.02Å; L599-T603 VanDerWaalsContact O-N 3.07Å; L599-T603 PolarHBondContact O-OG1 2.96Å
600L81.1Confident80.5Confident119 Ų119111.4 Ų111.462%0.62358%0.584SS**Hα-helixtrans-69-27177.5-82.8163000114.8I596 L597 T598 T603I596-L600 HydrophobicContact CG2-CD1 3.88Å; I596-L600 WeakPolarHBondContact O-CB 3.46Å; I596-L600 PolarHBondContact O-N 3.19Å; L597-L600 PolarHBondContact O-N 3.29Å; T598-L600 VanDerWaalsContact C-N 3.33Å; T598-L600 PolarHBondContact O-N 3.04Å; L600-T603 PolarHBondContact O-OG1 3.22Å; L600-T603 VanDerWaalsContact O-OXT 3.14Å
601L78.6Confident80.1Confident135 Ų135115.2 Ų115.271%0.70760%0.596SS**Hα-helixtrans-88.8-20.4177.4-82.9167.8000113L597 T598L597-L601 HydrophobicContact CD2-CD1 3.39Å; L597-L601 HydrophobicContact CD2-CG 4.09Å; L597-L601 WeakPolarHBondContact O-CB 3.42Å; L597-L601 WeakPolarHBondContact O-CG 3.36Å; L597-L601 PolarHBondContact O-N 3.29Å; T598-L601 PolarHBondContact O-N 2.93Å
602I69.1Low79.6Confident148 Ų148113.2 Ų113.276%0.75960%0.595SS**Hα-helixtrans-94.1-22-179.7-65.7167.3000111.3T598 L599T598-I602 WeakPolarHBondContact O-CB 3.33Å; T598-I602 WeakPolarHBondContact O-CD1 3.39Å; T598-I602 WeakPolarHBondContact O-CG1 3.39Å; T598-I602 PolarHBondContact O-N 3.4Å; L599-I602 PolarHBondContact O-N 3.07Å
603T55Low79Confident153 Ų153111.1 Ų111.194%0.93960%0.595SS**  trans-820160.757.50000110.9L599 L600L599-T603 WeakPolarHBondContact O-CG2 3.46Å; L599-T603 PolarHBondContact O-N 3.02Å; L599-T603 VanDerWaalsContact O-N 3.07Å; L599-T603 PolarHBondContact O-OG1 2.96Å; L600-T603 PolarHBondContact O-OG1 3.22Å; L600-T603 VanDerWaalsContact O-OXT 3.14Å

Retrieved 603 of 603 residues in 843.3 ms (Link to these results)

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