A0A059SEV9_HUMAN Loading...

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 A0A059SEV9, Species HUMAN (Homo sapiens, Human), Gene ND5, Length 603 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M76.4Confident85.4Confident125 Ų12557.5 Ų57.562%0.61632%0.323SS*.  0-70.70-67.6-51.9-172.900113.4M3 H4 T5 Q59 V61M1-M3 PolarHBondContact O-N 3.22Å; M1-H4 WeakPolarHBondContact O-CB 3.27Å; M1-H4 PolarHBondContact O-N 2.93Å; M1-T5 PolarHBondContact O-N 2.89Å; M1-Q59 HydrophobicContact CE-CG 4.31Å; M1-V61 HydrophobicContact SD-CG2 4.16Å
2T83.3Confident85.6Confident115 Ų11555 Ų5571%0.70631%0.308SS*.Hα-helixtrans-57.6-42.6-176.451.60000113.7H4 T5 T6T2-H4 VanDerWaalsContact C-N 3.27Å; T2-H4 PolarHBondContact O-N 3.12Å; T2-T5 PolarHBondContact O-N 2.96Å; T2-T5 PolarHBondContact O-OG1 3.4Å; T2-T6 VanDerWaalsContact O-CG2 3.29Å; T2-T6 WeakPolarHBondContact O-CG2 3.37Å; T2-T6 PolarHBondContact O-N 2.71Å; T2-T6 PolarHBondContact O-OG1 3.2Å; T2-T6 VanDerWaalsContact O-OG1 3.05Å
3M83.6Confident86Confident88 Ų8856.8 Ų56.843%0.43332%0.321SS..Hα-helixtrans-64.4-32177-165.4179.1-173.500113.1M1 T6 M7 F49M1-M3 PolarHBondContact O-N 3.22Å; M3-T6 WeakPolarHBondContact CA-OG1 3.32Å; M3-T6 PolarHBondContact O-OG1 2.99Å; M3-M7 HydrophobicContact CE-CE 4Å; M3-M7 HydrophobicContact CG-CG 4.42Å; M3-M7 WeakPolarHBondContact O-CB 3.38Å; M3-M7 WeakPolarHBondContact O-CG 3.3Å; M3-M7 PolarHBondContact O-N 3.21Å; M3-M7 VanDerWaalsContact O-N 3.12Å; M3-F49 HydrophobicContact CE-CD1 4.3Å; M3-F49 HydrophobicContact CE-CD2 4.36Å; M3-F49 HydrophobicContact CE-CE1 3.49Å; M3-F49 VanDerWaalsContact CE-CE1 3.49Å; M3-F49 HydrophobicContact CE-CE2 3.56Å; M3-F49 HydrophobicContact CE-CZ 3.08Å; M3-F49 HydrophobicContact CG-CE1 3.64Å; M3-F49 HydrophobicContact CG-CZ 4.09Å; M3-F49 HydrophobicContact SD-CE1 3.49Å; M3-F49 WeakPolarHBondContact SD-CE1 3.38Å; M3-F49 HydrophobicContact SD-CE2 4.3Å; M3-F49 HydrophobicContact SD-CZ 3.28Å; M3-F49 WeakPolarHBondContact SD-CZ 3.45Å
4H83.3Confident86.5Confident4 Ų454.3 Ų54.32%0.01931%0.309CS..Hα-helixtrans-68.7-48179-171.810.3000110.4M1 T2 M7 T8 P50 M87M1-H4 WeakPolarHBondContact O-CB 3.27Å; M1-H4 PolarHBondContact O-N 2.93Å; T2-H4 VanDerWaalsContact C-N 3.27Å; T2-H4 PolarHBondContact O-N 3.12Å; H4-M7 PolarHBondContact O-N 3.17Å; H4-T8 VanDerWaalsContact O-CG2 3.28Å; H4-T8 WeakPolarHBondContact O-CG2 3.42Å; H4-T8 PolarHBondContact O-N 3.02Å; H4-T8 PolarHBondContact O-OG1 2.88Å; H4-P50 WeakPolarHBondContact CE1-CB 3.27Å; H4-P50 WeakPolarHBondContact ND1-CB 3.2Å; H4-M87 WeakPolarHBondContact CE1-CE 3.17Å
5T84.8Confident87Confident43 Ų4350.7 Ų50.726%0.26429%0.289SS..Hα-helixtrans-68.6-38.3-178.656.30000112.6M1 T2 T8 A9 V61 I63M1-T5 PolarHBondContact O-N 2.89Å; T2-T5 PolarHBondContact O-N 2.96Å; T2-T5 PolarHBondContact O-OG1 3.4Å; T5-T8 WeakPolarHBondContact CA-OG1 3.4Å; T5-T8 PolarHBondContact O-OG1 3.11Å; T5-A9 WeakPolarHBondContact O-CB 3.24Å; T5-A9 PolarHBondContact O-N 3.32Å; T5-V61 HydrophobicContact CG2-CG1 3.83Å; T5-I63 HydrophobicContact CG2-CD1 3.81Å; T5-I63 HydrophobicContact CG2-CG1 3.95Å
6T87.4Confident87.3Confident80 Ų8052.3 Ų52.349%0.49130%0.295SS..Hα-helixtrans-66.9-44.2176.255.40000111.4T2 M3 T8 A9 L10T2-T6 VanDerWaalsContact O-CG2 3.29Å; T2-T6 WeakPolarHBondContact O-CG2 3.37Å; T2-T6 PolarHBondContact O-N 2.71Å; T2-T6 PolarHBondContact O-OG1 3.2Å; T2-T6 VanDerWaalsContact O-OG1 3.05Å; M3-T6 WeakPolarHBondContact CA-OG1 3.32Å; M3-T6 PolarHBondContact O-OG1 2.99Å; T6-T8 PolarHBondContact O-N 3.39Å; T6-A9 PolarHBondContact O-N 3.43Å; T6-L10 VanDerWaalsContact O-CB 3.23Å; T6-L10 WeakPolarHBondContact O-CB 3.36Å; T6-L10 PolarHBondContact O-N 2.89Å
7M87.9Confident87.6Confident53 Ų5352.2 Ų52.226%0.26130%0.297SS..Hα-helixtrans-65.1-39.4178.5-70-64.9-178.100111.8M3 H4 L10 T11 I46 F49M3-M7 HydrophobicContact CE-CE 4Å; M3-M7 HydrophobicContact CG-CG 4.42Å; M3-M7 WeakPolarHBondContact O-CB 3.38Å; M3-M7 WeakPolarHBondContact O-CG 3.3Å; M3-M7 PolarHBondContact O-N 3.21Å; M3-M7 VanDerWaalsContact O-N 3.12Å; H4-M7 PolarHBondContact O-N 3.17Å; M7-L10 PolarHBondContact O-N 3.3Å; M7-T11 WeakPolarHBondContact O-CG2 3.49Å; M7-T11 PolarHBondContact O-N 2.97Å; M7-I46 HydrophobicContact SD-CG2 4.27Å; M7-F49 HydrophobicContact CB-CD1 4.22Å; M7-F49 HydrophobicContact CG-CD1 3.7Å; M7-F49 HydrophobicContact CG-CE1 4.34Å; M7-F49 HydrophobicContact CG-CG 4.33Å
8T85.1Confident87.7Confident5 Ų549.3 Ų49.33%0.03128%0.281CS..Hα-helixtrans-70.4-36.1175.953.10000113.5H4 T5 T6 L10 T11 L12 P50 I63 L82 M87H4-T8 VanDerWaalsContact O-CG2 3.28Å; H4-T8 WeakPolarHBondContact O-CG2 3.42Å; H4-T8 PolarHBondContact O-N 3.02Å; H4-T8 PolarHBondContact O-OG1 2.88Å; T5-T8 WeakPolarHBondContact CA-OG1 3.4Å; T5-T8 PolarHBondContact O-OG1 3.11Å; T6-T8 PolarHBondContact O-N 3.39Å; T8-L10 VanDerWaalsContact C-N 3.27Å; T8-T11 PolarHBondContact O-OG1 3Å; T8-L12 PolarHBondContact O-N 3.42Å; T8-P50 HydrophobicContact CG2-CB 3.55Å; T8-P50 HydrophobicContact CG2-CG 3.99Å; T8-I63 VanDerWaalsContact OG1-CD1 3.31Å; T8-I63 WeakPolarHBondContact OG1-CD1 3.45Å; T8-L82 HydrophobicContact CG2-CD1 3.4Å; T8-L82 HydrophobicContact CG2-CD2 4.04Å; T8-L82 HydrophobicContact CG2-CG 4.34Å; T8-L82 WeakPolarHBondContact OG1-CD1 3.44Å; T8-M87 HydrophobicContact CG2-CE 4.03Å
9A87.6Confident87.9Confident35 Ų3548.6 Ų48.629%0.28928%0.276SS..Hα-helixtrans-63.1-42.4171.300000109.6T5 T6 T11 L12 T13T5-A9 WeakPolarHBondContact O-CB 3.24Å; T5-A9 PolarHBondContact O-N 3.32Å; T6-A9 PolarHBondContact O-N 3.43Å; A9-T11 PolarHBondContact O-N 3.45Å; A9-L12 PolarHBondContact O-N 3.32Å; A9-T13 WeakPolarHBondContact O-CG2 2.96Å; A9-T13 PolarHBondContact O-N 3.16Å; A9-T13 PolarHBondContact O-OG1 2.92Å; A9-T13 VanDerWaalsContact O-OG1 3.07Å
10L90.7Very high87.9Confident79 Ų7950.9 Ų50.941%0.41429%0.286SS..Hα-helixtrans-65.8-36.1-179.4-162.7143000112.7T6 M7 T8 L12 T13 S14 I46T6-L10 VanDerWaalsContact O-CB 3.23Å; T6-L10 WeakPolarHBondContact O-CB 3.36Å; T6-L10 PolarHBondContact O-N 2.89Å; M7-L10 PolarHBondContact O-N 3.3Å; T8-L10 VanDerWaalsContact C-N 3.27Å; L10-L12 VanDerWaalsContact C-N 3.35Å; L10-L12 PolarHBondContact O-N 3.43Å; L10-T13 WeakPolarHBondContact CA-OG1 3.4Å; L10-T13 PolarHBondContact O-OG1 2.7Å; L10-S14 WeakPolarHBondContact O-CB 3.41Å; L10-S14 PolarHBondContact O-N 3.27Å; L10-S14 PolarHBondContact O-OG 3.45Å; L10-I46 HydrophobicContact CD2-CB 4.31Å; L10-I46 HydrophobicContact CD2-CD1 3.33Å; L10-I46 HydrophobicContact CD2-CG1 3.93Å; L10-I46 HydrophobicContact CD2-CG2 3.54Å
11T89.8Confident87.8Confident5 Ų550.9 Ų50.93%0.03129%0.288CS..Hα-helixtrans-61.4-42.2173.856.40000112.1M7 T8 A9 S14 I46 S47M7-T11 WeakPolarHBondContact O-CG2 3.49Å; M7-T11 PolarHBondContact O-N 2.97Å; T8-T11 PolarHBondContact O-OG1 3Å; A9-T11 PolarHBondContact O-N 3.45Å; T11-S14 PolarHBondContact O-OG 2.93Å; T11-S14 VanDerWaalsContact O-OG 3.08Å; T11-I46 HydrophobicContact CG2-CB 4.17Å; T11-I46 HydrophobicContact CG2-CG2 3.61Å; T11-S47 VanDerWaalsContact CG2-CA 3.46Å
12L87.8Confident88.2Confident28 Ų2846.3 Ų46.315%0.14727%0.267CS..Hα-helixtrans-73.7-43.6179.7-65.7175.2000111.6T8 A9 L10 F80 L129T8-L12 PolarHBondContact O-N 3.42Å; A9-L12 PolarHBondContact O-N 3.32Å; L10-L12 VanDerWaalsContact C-N 3.35Å; L10-L12 PolarHBondContact O-N 3.43Å; L12-F80 HydrophobicContact CD1-CD1 3.88Å; L12-F80 HydrophobicContact CD1-CD2 4.21Å; L12-F80 HydrophobicContact CD1-CE1 3.68Å; L12-F80 HydrophobicContact CD1-CE2 4.01Å; L12-F80 HydrophobicContact CD1-CG 4.13Å; L12-F80 HydrophobicContact CD1-CZ 3.75Å; L12-L129 HydrophobicContact CD2-CB 4.03Å
13T90.4Very high88.2Confident78 Ų7847 Ų4748%0.47927%0.266SS..Hα-helixtrans-74.2-29.1-176.659.60000113A9 L10 L15 I16 P17A9-T13 WeakPolarHBondContact O-CG2 2.96Å; A9-T13 PolarHBondContact O-N 3.16Å; A9-T13 PolarHBondContact O-OG1 2.92Å; A9-T13 VanDerWaalsContact O-OG1 3.07Å; L10-T13 WeakPolarHBondContact CA-OG1 3.4Å; L10-T13 PolarHBondContact O-OG1 2.7Å; T13-L15 PolarHBondContact O-N 3.4Å; T13-I16 WeakPolarHBondContact O-CB 3.1Å; T13-I16 PolarHBondContact O-N 3.27Å; T13-I16 VanDerWaalsContact O-N 3.12Å; T13-P17 VanDerWaalsContact O-CD 3.26Å; T13-P17 WeakPolarHBondContact O-CD 3.45Å
14S93.3Very high88.2Confident22 Ų2248 Ų4815%0.15428%0.277CS..THydrogen-bonded Turntrans-65.9-15.6-179.251.10000114.3L10 T11 P17 I39 T43L10-S14 WeakPolarHBondContact O-CB 3.41Å; L10-S14 PolarHBondContact O-N 3.27Å; L10-S14 PolarHBondContact O-OG 3.45Å; T11-S14 PolarHBondContact O-OG 2.93Å; T11-S14 VanDerWaalsContact O-OG 3.08Å; S14-P17 WeakPolarHBondContact O-CD 3.18Å; S14-I39 WeakPolarHBondContact O-CG2 3.06Å; S14-T43 WeakPolarHBondContact OG-CG2 3.42Å
15L93.8Very high87.9Confident1 Ų152 Ų521%0.00530%0.298CS..THydrogen-bonded Turntrans-84.8-13.3174.6-65.5173.6000114.1T13 P18 I39 V40 T43 L94 L122 L125 I126 L129T13-L15 PolarHBondContact O-N 3.4Å; L15-P18 WeakPolarHBondContact O-CD 3.28Å; L15-I39 HydrophobicContact CD2-CG2 4.39Å; L15-V40 HydrophobicContact CD2-CG2 4.1Å; L15-T43 HydrophobicContact CD2-CG2 3.6Å; L15-T43 HydrophobicContact CG-CG2 3.96Å; L15-L94 HydrophobicContact CD1-CD2 4.34Å; L15-L122 HydrophobicContact CB-CD1 4.42Å; L15-L122 HydrophobicContact CD2-CD1 3.96Å; L15-L125 HydrophobicContact CD1-CD2 4.13Å; L15-L125 HydrophobicContact CD1-CG 4.29Å; L15-L125 HydrophobicContact CD2-CD2 4.1Å; L15-I126 HydrophobicContact CB-CD1 3.96Å; L15-I126 HydrophobicContact CB-CG1 3.84Å; L15-I126 HydrophobicContact CD1-CG1 4.2Å; L15-L129 HydrophobicContact CD1-CD1 3.24Å
16I92.5Very high87.1Confident75 Ų7554.5 Ų54.539%0.38532%0.315SS..Hα-helixtrans-75.9-39.8-177.4-57.8174.1000113.6T13 P18 I19 L20T13-I16 WeakPolarHBondContact O-CB 3.1Å; T13-I16 PolarHBondContact O-N 3.27Å; T13-I16 VanDerWaalsContact O-N 3.12Å; I16-P18 VanDerWaalsContact C-CD 3.47Å; I16-I19 WeakPolarHBondContact O-CB 3.11Å; I16-I19 PolarHBondContact O-N 2.71Å; I16-L20 HydrophobicContact CG2-CD1 3.81Å; I16-L20 HydrophobicContact CG2-CG 3.96Å; I16-L20 PolarHBondContact O-N 2.65Å
17P91.4Very high85.9Confident51 Ų5157.1 Ų57.133%0.33133%0.326SS..Hα-helixtrans-51.8-44.6-176-26.131.8000115.3T13 S14 I19 L20 T21T13-P17 VanDerWaalsContact O-CD 3.26Å; T13-P17 WeakPolarHBondContact O-CD 3.45Å; S14-P17 WeakPolarHBondContact O-CD 3.18Å; P17-I19 VanDerWaalsContact C-N 3.28Å; P17-I19 PolarHBondContact O-N 3.23Å; P17-L20 PolarHBondContact O-N 2.92Å; P17-L20 VanDerWaalsContact O-N 3.15Å; P17-T21 WeakPolarHBondContact O-CG2 3.39Å; P17-T21 PolarHBondContact O-N 3.39Å
18P90.6Very high84.7Confident0 Ų061.9 Ų61.90%035%0.345CS..Hα-helixtrans-58.6-38.9177.6-15.724.6000113.2L15 I16 T21 T22 Y32 Y35 V36 I39 L122L15-P18 WeakPolarHBondContact O-CD 3.28Å; I16-P18 VanDerWaalsContact C-CD 3.47Å; P18-T21 WeakPolarHBondContact CA-OG1 3.17Å; P18-T21 PolarHBondContact O-N 2.95Å; P18-T21 PolarHBondContact O-OG1 3.44Å; P18-T22 PolarHBondContact O-N 3.3Å; P18-Y32 HydrophobicContact CB-CE2 4.12Å; P18-Y35 HydrophobicContact CB-CD1 4.32Å; P18-Y35 HydrophobicContact CB-CE1 4Å; P18-Y35 HydrophobicContact CG-CE1 4.13Å; P18-V36 HydrophobicContact CB-CG2 3.92Å; P18-I39 HydrophobicContact CG-CB 4.35Å; P18-I39 HydrophobicContact CG-CD1 3.53Å; P18-I39 HydrophobicContact CG-CG2 4.09Å; P18-L122 HydrophobicContact CB-CD2 3.51Å; P18-L122 HydrophobicContact CG-CD2 3.7Å
19I90.8Very high83.6Confident36 Ų3668.7 Ų68.719%0.18538%0.375CS..Hα-helixtrans-64.8-45.9177.8-61.8173.6000109.9I16 P17 T21 T22 L23 L122 I123 I126I16-I19 WeakPolarHBondContact O-CB 3.11Å; I16-I19 PolarHBondContact O-N 2.71Å; P17-I19 VanDerWaalsContact C-N 3.28Å; P17-I19 PolarHBondContact O-N 3.23Å; I19-T21 VanDerWaalsContact C-N 3.3Å; I19-T21 PolarHBondContact O-N 3.27Å; I19-T22 PolarHBondContact O-N 2.81Å; I19-T22 VanDerWaalsContact O-N 3.15Å; I19-T22 PolarHBondContact O-OG1 3.18Å; I19-L23 PolarHBondContact O-N 3.33Å; I19-L122 HydrophobicContact CD1-CD2 4.33Å; I19-L122 HydrophobicContact CD1-CG 4.37Å; I19-L122 HydrophobicContact CG1-CD2 3.79Å; I19-L122 HydrophobicContact CG1-CG 4.33Å; I19-I123 HydrophobicContact CD1-CG1 3.71Å; I19-I123 HydrophobicContact CG1-CG1 4.28Å; I19-I126 HydrophobicContact CD1-CD1 3.26Å; I19-I126 HydrophobicContact CG1-CD1 4.47Å
20L88.7Confident82.4Confident94 Ų9474.4 Ų74.449%0.49240%0.4SS..Hα-helixtrans-60.5-39.2176.5-65.9174.2000112I16 P17 T22 L23 V24I16-L20 HydrophobicContact CG2-CD1 3.81Å; I16-L20 HydrophobicContact CG2-CG 3.96Å; I16-L20 PolarHBondContact O-N 2.65Å; P17-L20 PolarHBondContact O-N 2.92Å; P17-L20 VanDerWaalsContact O-N 3.15Å; L20-T22 VanDerWaalsContact C-N 3.27Å; L20-T22 PolarHBondContact O-N 3.01Å; L20-L23 HydrophobicContact CD2-CD1 4.34Å; L20-L23 WeakPolarHBondContact O-CB 3.29Å; L20-L23 PolarHBondContact O-N 3.18Å; L20-V24 PolarHBondContact O-N 2.99Å; L20-V24 VanDerWaalsContact O-N 3.1Å
21T85.8Confident82Confident52 Ų5274.4 Ų74.432%0.31941%0.407SS..Hα-helixtrans-61.7-35177.663.20000112.7P17 P18 I19 L23 V24 N25 Y35P17-T21 WeakPolarHBondContact O-CG2 3.39Å; P17-T21 PolarHBondContact O-N 3.39Å; P18-T21 WeakPolarHBondContact CA-OG1 3.17Å; P18-T21 PolarHBondContact O-N 2.95Å; P18-T21 PolarHBondContact O-OG1 3.44Å; I19-T21 VanDerWaalsContact C-N 3.3Å; I19-T21 PolarHBondContact O-N 3.27Å; T21-L23 VanDerWaalsContact C-N 3.29Å; T21-L23 PolarHBondContact O-N 3.43Å; T21-V24 PolarHBondContact O-N 3.49Å; T21-N25 PolarHBondContact O-N 2.98Å; T21-Y35 HydrophobicContact CG2-CE1 4.17Å
22T83.8Confident82Confident28 Ų2875 Ų7517%0.17241%0.409CS..Hα-helixtrans-69-26.8176.165.90000113.3P18 I19 L20 Y32 K119P18-T22 PolarHBondContact O-N 3.3Å; I19-T22 PolarHBondContact O-N 2.81Å; I19-T22 VanDerWaalsContact O-N 3.15Å; I19-T22 PolarHBondContact O-OG1 3.18Å; L20-T22 VanDerWaalsContact C-N 3.27Å; L20-T22 PolarHBondContact O-N 3.01Å; T22-Y32 HydrophobicContact CG2-CD2 4.07Å; T22-Y32 HydrophobicContact CG2-CE1 4.15Å; T22-Y32 HydrophobicContact CG2-CE2 3.32Å; T22-Y32 WeakPolarHBondContact CG2-OH 3.11Å; T22-K119 HydrophobicContact CG2-CD 4.21Å; T22-K119 WeakPolarHBondContact OG1-CD 3.37Å
23L84.1Confident82.2Confident130 Ų13074 Ų7468%0.68140%0.404SS*.Hα-helixtrans-75.8-39.9175.4-65.8170.8000111.4I19 L20 T21I19-L23 PolarHBondContact O-N 3.33Å; L20-L23 HydrophobicContact CD2-CD1 4.34Å; L20-L23 WeakPolarHBondContact O-CB 3.29Å; L20-L23 PolarHBondContact O-N 3.18Å; T21-L23 VanDerWaalsContact C-N 3.29Å; T21-L23 PolarHBondContact O-N 3.43Å
24V82.6Confident82.3Confident109 Ų10975.4 Ų75.466%0.66141%0.405SS*.Hα-helixtrans-77.4-42.3-178.1178.70000111.9L20 T21L20-V24 PolarHBondContact O-N 2.99Å; L20-V24 VanDerWaalsContact O-N 3.1Å; T21-V24 PolarHBondContact O-N 3.49Å
25N77.7Confident82.3Confident88 Ų8878.4 Ų78.447%0.47141%0.413SS..  trans-133.178.6-173.8-76.4-38000111.6T21 N27T21-N25 PolarHBondContact O-N 2.98Å; N25-N27 PolarHBondContact O-N 3.14Å; N25-N27 VanDerWaalsContact O-N 3.12Å
26P67.9Low82.3Confident96 Ų9678.3 Ų78.362%0.62341%0.413SS*.THydrogen-bonded Turntrans-63.9-20.7-178.326-34.7000113.4
27N62.8Low82.4Confident135 Ų13576.8 Ų76.872%0.72240%0.403SS*.THydrogen-bonded Turntrans-96.5-3.5-168.2-67.5-13.3000115.5N25 K29N25-N27 PolarHBondContact O-N 3.14Å; N25-N27 VanDerWaalsContact O-N 3.12Å; N27-K29 PolarHBondContact O-N 2.94Å; N27-K29 VanDerWaalsContact O-N 3.07Å
28K62.1Low82.6Confident152 Ų15277.5 Ų77.566%0.66141%0.41SS*.  trans-77.996.6176-78.9-170.8179.2-179.50110.1
29K61.4Low82.9Confident149 Ų14978.3 Ų78.365%0.64841%0.414SS*.  trans-81.5-34.9-168.2-72.3178-178.9-178.60115.8N27 N115N27-K29 PolarHBondContact O-N 2.94Å; N27-K29 VanDerWaalsContact O-N 3.07Å; K29-N115 PolarHBondContact O-ND2 3.28Å
30N62.7Low83.1Confident154 Ų15476.6 Ų76.682%0.82441%0.405SS*.SBendtrans-93.2-16.9-155-67.16.4000117
31S81.8Confident83.5Confident79 Ų7973.1 Ų73.155%0.55239%0.39SS*.SBendtrans-126.40.5-174.1610000115.4H34 Y35S31-H34 PolarHBondContact O-N 3.33Å; S31-Y35 WeakPolarHBondContact O-CB 3.29Å; S31-Y35 PolarHBondContact O-N 3.41Å
32Y89.8Confident84Confident18 Ų1873 Ų737%0.07139%0.391CS..Hα-helixtrans-59.7-44.6-177.4179.3-98.8000113.8P18 T22 H34 Y35 V36 N115 F118 K119P18-Y32 HydrophobicContact CB-CE2 4.12Å; T22-Y32 HydrophobicContact CG2-CD2 4.07Å; T22-Y32 HydrophobicContact CG2-CE1 4.15Å; T22-Y32 HydrophobicContact CG2-CE2 3.32Å; T22-Y32 WeakPolarHBondContact CG2-OH 3.11Å; Y32-H34 VanDerWaalsContact C-N 3.33Å; Y32-H34 PolarHBondContact O-N 3.17Å; Y32-Y35 HydrophobicContact CD2-CD1 4.42Å; Y32-Y35 WeakPolarHBondContact O-CB 3.22Å; Y32-Y35 PolarHBondContact O-N 3.33Å; Y32-V36 HydrophobicContact CD1-CG2 4.05Å; Y32-V36 HydrophobicContact CD2-CG2 4.26Å; Y32-V36 HydrophobicContact CE1-CG2 3.53Å; Y32-V36 HydrophobicContact CE2-CG2 3.75Å; Y32-V36 HydrophobicContact CG-CG2 4.39Å; Y32-V36 WeakPolarHBondContact O-CG2 3.18Å; Y32-V36 PolarHBondContact O-N 2.92Å; Y32-N115 HydrophobicContact CD1-CB 3.92Å; Y32-N115 WeakPolarHBondContact CE1-O 3.42Å; Y32-F118 HydrophobicContact CD1-CB 4.4Å; Y32-F118 HydrophobicContact CE1-CB 4Å; Y32-K119 HydrophobicContact CE1-CB 4.49Å
33P92.1Very high84.6Confident8 Ų871.6 Ų71.65%0.05238%0.383CS..Hα-helixtrans-63.3-39.3-179.8-26.539.8000112.7V36 K37 L105 I114 N115 F118P33-V36 PolarHBondContact O-N 3Å; P33-K37 WeakPolarHBondContact O-CB 3.47Å; P33-K37 PolarHBondContact O-N 3.33Å; P33-L105 HydrophobicContact CB-CD2 3.3Å; P33-L105 HydrophobicContact CG-CD2 4.48Å; P33-I114 HydrophobicContact CG-CD1 4.42Å; P33-I114 HydrophobicContact CG-CG1 4.29Å; P33-I114 HydrophobicContact CG-CG2 4.2Å; P33-N115 WeakPolarHBondContact CD-OD1 3.36Å; P33-N115 VanDerWaalsContact CG-OD1 3.26Å; P33-N115 WeakPolarHBondContact CG-OD1 3.41Å; P33-F118 HydrophobicContact CB-CD1 4.12Å; P33-F118 HydrophobicContact CB-CD2 3.89Å; P33-F118 HydrophobicContact CB-CE1 4.01Å; P33-F118 HydrophobicContact CB-CE2 3.78Å; P33-F118 HydrophobicContact CB-CG 4.06Å; P33-F118 HydrophobicContact CB-CZ 3.82Å; P33-F118 HydrophobicContact CG-CD2 4.23Å; P33-F118 HydrophobicContact CG-CE2 4.4Å
34H92.8Very high85.1Confident106 Ų10666.9 Ų66.949%0.49136%0.357SS..Hα-helixtrans-67.1-38.2175.1-71.6-68.4000112.3S31 Y32 K37 S38S31-H34 PolarHBondContact O-N 3.33Å; Y32-H34 VanDerWaalsContact C-N 3.33Å; Y32-H34 PolarHBondContact O-N 3.17Å; H34-K37 PolarHBondContact O-N 2.98Å; H34-S38 PolarHBondContact O-N 2.94Å; H34-S38 PolarHBondContact O-OG 3.34Å
35Y92.5Very high85.8Confident85 Ų8567.3 Ų67.333%0.33335%0.354SS..Hα-helixtrans-64.3-43.8174.8174-118.1000112.3P18 T21 S31 Y32 S38 I39P18-Y35 HydrophobicContact CB-CD1 4.32Å; P18-Y35 HydrophobicContact CB-CE1 4Å; P18-Y35 HydrophobicContact CG-CE1 4.13Å; T21-Y35 HydrophobicContact CG2-CE1 4.17Å; S31-Y35 WeakPolarHBondContact O-CB 3.29Å; S31-Y35 PolarHBondContact O-N 3.41Å; Y32-Y35 HydrophobicContact CD2-CD1 4.42Å; Y32-Y35 WeakPolarHBondContact O-CB 3.22Å; Y32-Y35 PolarHBondContact O-N 3.33Å; Y35-S38 PolarHBondContact O-N 3.32Å; Y35-S38 PolarHBondContact O-OG 3.45Å; Y35-I39 HydrophobicContact CD1-CD1 4.22Å; Y35-I39 HydrophobicContact CD2-CD1 3.88Å; Y35-I39 HydrophobicContact CD2-CG1 4.42Å; Y35-I39 HydrophobicContact CE1-CD1 3.66Å; Y35-I39 HydrophobicContact CE2-CD1 3.25Å; Y35-I39 HydrophobicContact CE2-CG1 4.08Å; Y35-I39 HydrophobicContact CG-CD1 4.33Å; Y35-I39 PolarHBondContact O-N 2.96Å; Y35-I39 VanDerWaalsContact OH-CD1 3.3Å; Y35-I39 WeakPolarHBondContact OH-CD1 3.04Å
36V94.4Very high86.6Confident0 Ų065 Ų650%034%0.341CS..Hα-helixtrans-62.2-45.3174.7173.80000110.5P18 Y32 P33 S38 I39 V40 M101 F118 L122P18-V36 HydrophobicContact CB-CG2 3.92Å; Y32-V36 HydrophobicContact CD1-CG2 4.05Å; Y32-V36 HydrophobicContact CD2-CG2 4.26Å; Y32-V36 HydrophobicContact CE1-CG2 3.53Å; Y32-V36 HydrophobicContact CE2-CG2 3.75Å; Y32-V36 HydrophobicContact CG-CG2 4.39Å; Y32-V36 WeakPolarHBondContact O-CG2 3.18Å; Y32-V36 PolarHBondContact O-N 2.92Å; P33-V36 PolarHBondContact O-N 3Å; V36-S38 PolarHBondContact O-N 3.26Å; V36-I39 PolarHBondContact O-N 3.25Å; V36-V40 WeakPolarHBondContact O-CG2 3.43Å; V36-V40 PolarHBondContact O-N 3.25Å; V36-M101 HydrophobicContact CG1-CE 3.43Å; V36-M101 VanDerWaalsContact CG1-CE 3.43Å; V36-M101 HydrophobicContact CG1-SD 4.17Å; V36-F118 HydrophobicContact CB-CD1 4.19Å; V36-F118 HydrophobicContact CG1-CD1 4.12Å; V36-L122 HydrophobicContact CG1-CB 4.44Å; V36-L122 HydrophobicContact CG1-CD1 4.49Å; V36-L122 HydrophobicContact CG1-CD2 4.36Å
37K95.4Very high87.9Confident42 Ų4260.5 Ų60.518%0.18331%0.312CS..Hα-helixtrans-56.8-48.7176176.8-163.2168.1-177.30111.7P33 H34 I39 V40 A41 E102 L105P33-K37 WeakPolarHBondContact O-CB 3.47Å; P33-K37 PolarHBondContact O-N 3.33Å; H34-K37 PolarHBondContact O-N 2.98Å; K37-I39 VanDerWaalsContact C-N 3.32Å; K37-I39 PolarHBondContact O-N 2.87Å; K37-V40 PolarHBondContact O-N 3.08Å; K37-A41 WeakPolarHBondContact O-CB 3.2Å; K37-A41 PolarHBondContact O-N 2.98Å; K37-E102 HydrophobicContact CD-CB 4.18Å; K37-E102 HydrophobicContact CD-CG 4.32Å; K37-E102 VanDerWaalsContact CE-CD 3.44Å; K37-E102 VanDerWaalsContact CE-OE2 3.28Å; K37-E102 WeakPolarHBondContact CE-OE2 3.37Å; K37-E102 IonicContact NZ-OE1 2.84Å; K37-E102 PolarHBondContact NZ-OE1 3.07Å; K37-E102 IonicContact NZ-OE2 3.26Å; K37-E102 PolarHBondContact NZ-OE2 3.22Å; K37-L105 HydrophobicContact CD-CD1 3.99Å
38S95.3Very high89.4Confident66 Ų6657.3 Ų57.346%0.46230%0.295SS..Hα-helixtrans-66.3-36.2-177.4620000111.9H34 Y35 V36 A41 S42H34-S38 PolarHBondContact O-N 2.94Å; H34-S38 PolarHBondContact O-OG 3.34Å; Y35-S38 PolarHBondContact O-N 3.32Å; Y35-S38 PolarHBondContact O-OG 3.45Å; V36-S38 PolarHBondContact O-N 3.26Å; S38-A41 PolarHBondContact O-N 2.85Å; S38-S42 PolarHBondContact O-N 2.64Å; S38-S42 PolarHBondContact O-OG 3.49Å
39I95.6Very high90.8Very high18 Ų1853.1 Ų53.19%0.09228%0.276CS..Hα-helixtrans-63.6-51.5174.3-78173.4000110.9S14 L15 P18 Y35 V36 K37 A41 S42 T43S14-I39 WeakPolarHBondContact O-CG2 3.06Å; L15-I39 HydrophobicContact CD2-CG2 4.39Å; P18-I39 HydrophobicContact CG-CB 4.35Å; P18-I39 HydrophobicContact CG-CD1 3.53Å; P18-I39 HydrophobicContact CG-CG2 4.09Å; Y35-I39 HydrophobicContact CD1-CD1 4.22Å; Y35-I39 HydrophobicContact CD2-CD1 3.88Å; Y35-I39 HydrophobicContact CD2-CG1 4.42Å; Y35-I39 HydrophobicContact CE1-CD1 3.66Å; Y35-I39 HydrophobicContact CE2-CD1 3.25Å; Y35-I39 HydrophobicContact CE2-CG1 4.08Å; Y35-I39 HydrophobicContact CG-CD1 4.33Å; Y35-I39 PolarHBondContact O-N 2.96Å; Y35-I39 VanDerWaalsContact OH-CD1 3.3Å; Y35-I39 WeakPolarHBondContact OH-CD1 3.04Å; V36-I39 PolarHBondContact O-N 3.25Å; K37-I39 VanDerWaalsContact C-N 3.32Å; K37-I39 PolarHBondContact O-N 2.87Å; I39-A41 PolarHBondContact O-N 3.23Å; I39-S42 WeakPolarHBondContact CA-OG 3.41Å; I39-S42 CarbonylContact O-C 3.6Å; I39-S42 WeakPolarHBondContact O-CA 3.49Å; I39-S42 PolarHBondContact O-N 2.89Å; I39-S42 PolarHBondContact O-OG 3.1Å; I39-T43 HydrophobicContact CG2-CG2 3.99Å; I39-T43 WeakPolarHBondContact O-CG2 3.45Å; I39-T43 PolarHBondContact O-N 2.81Å
40V96.3Very high92.2Very high0 Ų046.2 Ų46.20%025%0.247CC..Hα-helixtrans-59.4-36178.2178.50000111.7L15 V36 K37 T43 F44 L94 W98 M101 L122 L125L15-V40 HydrophobicContact CD2-CG2 4.1Å; V36-V40 WeakPolarHBondContact O-CG2 3.43Å; V36-V40 PolarHBondContact O-N 3.25Å; K37-V40 PolarHBondContact O-N 3.08Å; V40-T43 WeakPolarHBondContact CA-OG1 3.45Å; V40-T43 PolarHBondContact O-N 3.38Å; V40-T43 PolarHBondContact O-OG1 3.48Å; V40-F44 WeakPolarHBondContact O-CB 3.43Å; V40-F44 PolarHBondContact O-N 3.27Å; V40-L94 HydrophobicContact CG1-CD2 4.33Å; V40-W98 HydrophobicContact CG1-CB 4.07Å; V40-M101 HydrophobicContact CG2-CE 4.37Å; V40-L122 HydrophobicContact CG2-CD1 4.2Å; V40-L125 HydrophobicContact CG1-CD2 4.32Å; V40-L125 HydrophobicContact CG2-CD2 4.16Å
41A96.5Very high93.6Very high20 Ų2039.5 Ų39.517%0.16521%0.211CC..Hα-helixtrans-65-42.5173.800000112.2K37 S38 I39 F44 I45 W98K37-A41 WeakPolarHBondContact O-CB 3.2Å; K37-A41 PolarHBondContact O-N 2.98Å; S38-A41 PolarHBondContact O-N 2.85Å; I39-A41 PolarHBondContact O-N 3.23Å; A41-F44 PolarHBondContact O-N 2.99Å; A41-I45 WeakPolarHBondContact O-CG1 3.47Å; A41-I45 PolarHBondContact O-N 2.74Å; A41-W98 HydrophobicContact CB-CD2 4.27Å; A41-W98 HydrophobicContact CB-CG 4.24Å; A41-W98 HydrophobicContact CB-CZ2 4.46Å
42S95.7Very high94.1Very high49 Ų4939.3 Ų39.334%0.34321%0.207SC..Hα-helixtrans-66.8-39.5175.970.50000112.3S38 I39 F44 I45 I46S38-S42 PolarHBondContact O-N 2.64Å; S38-S42 PolarHBondContact O-OG 3.49Å; I39-S42 WeakPolarHBondContact CA-OG 3.41Å; I39-S42 CarbonylContact O-C 3.6Å; I39-S42 WeakPolarHBondContact O-CA 3.49Å; I39-S42 PolarHBondContact O-N 2.89Å; I39-S42 PolarHBondContact O-OG 3.1Å; S42-F44 VanDerWaalsContact C-N 3.31Å; S42-F44 PolarHBondContact O-N 2.88Å; S42-I45 PolarHBondContact O-N 2.82Å; S42-I45 VanDerWaalsContact O-N 3.14Å; S42-I46 WeakPolarHBondContact O-CD1 3.43Å; S42-I46 VanDerWaalsContact O-CG1 3.29Å; S42-I46 WeakPolarHBondContact O-CG1 3.3Å; S42-I46 PolarHBondContact O-N 3.38Å
43T96.3Very high94.1Very high0 Ų041.1 Ų41.10%022%0.216CC..Hα-helixtrans-66.8-34.6178.768.40000111.5S14 L15 I39 V40 I46 S47 L94S14-T43 WeakPolarHBondContact OG-CG2 3.42Å; L15-T43 HydrophobicContact CD2-CG2 3.6Å; L15-T43 HydrophobicContact CG-CG2 3.96Å; I39-T43 HydrophobicContact CG2-CG2 3.99Å; I39-T43 WeakPolarHBondContact O-CG2 3.45Å; I39-T43 PolarHBondContact O-N 2.81Å; V40-T43 WeakPolarHBondContact CA-OG1 3.45Å; V40-T43 PolarHBondContact O-N 3.38Å; V40-T43 PolarHBondContact O-OG1 3.48Å; T43-I46 PolarHBondContact O-N 3.46Å; T43-S47 WeakPolarHBondContact O-CB 3.4Å; T43-S47 PolarHBondContact O-N 2.86Å; T43-L94 WeakPolarHBondContact OG1-CD2 3.29Å
44F96.4Very high94Very high31 Ų3141.1 Ų41.114%0.13622%0.216CC..Hα-helixtrans-60.2-46.5169.9169.2-106.1000111.8V40 A41 S42 I46 S47 L48 P91 L94 F95V40-F44 WeakPolarHBondContact O-CB 3.43Å; V40-F44 PolarHBondContact O-N 3.27Å; A41-F44 PolarHBondContact O-N 2.99Å; S42-F44 VanDerWaalsContact C-N 3.31Å; S42-F44 PolarHBondContact O-N 2.88Å; F44-I46 VanDerWaalsContact C-N 3.32Å; F44-I46 PolarHBondContact O-N 3Å; F44-S47 PolarHBondContact O-N 3.4Å; F44-S47 PolarHBondContact O-OG 3.44Å; F44-L48 HydrophobicContact CE1-CD1 3.88Å; F44-L48 HydrophobicContact CE2-CD1 4.46Å; F44-L48 HydrophobicContact CE2-CD2 4.1Å; F44-L48 HydrophobicContact CE2-CG 4.3Å; F44-L48 HydrophobicContact CZ-CD1 3.83Å; F44-L48 HydrophobicContact CZ-CD2 4.08Å; F44-L48 HydrophobicContact CZ-CG 4.15Å; F44-L48 PolarHBondContact O-N 3.29Å; F44-P91 HydrophobicContact CD2-CB 4.3Å; F44-P91 WeakPolarHBondContact CD2-O 3.19Å; F44-P91 HydrophobicContact CE2-CB 4.04Å; F44-L94 HydrophobicContact CB-CB 3.99Å; F44-L94 HydrophobicContact CD2-CB 4.21Å; F44-F95 HydrophobicContact CD2-CB 3.97Å; F44-F95 HydrophobicContact CE1-CD2 4.03Å; F44-F95 HydrophobicContact CE2-CB 3.73Å; F44-F95 AromaticContact CE2-CD2 3.93Å; F44-F95 HydrophobicContact CE2-CD2 3.93Å; F44-F95 HydrophobicContact CE2-CG 4.29Å; F44-F95 HydrophobicContact CZ-CB 4.35Å; F44-F95 AromaticContact CZ-CD2 3.65Å; F44-F95 HydrophobicContact CZ-CD2 3.65Å; F44-F95 HydrophobicContact CZ-CE2 4.45Å; F44-F95 HydrophobicContact CZ-CG 4.44Å
45I95.7Very high93.9Very high117 Ų11738.5 Ų38.560%0.621%0.205SC*.Hα-helixtrans-62.9-42.5178.4-65.1167000110.5A41 S42 S47 L48A41-I45 WeakPolarHBondContact O-CG1 3.47Å; A41-I45 PolarHBondContact O-N 2.74Å; S42-I45 PolarHBondContact O-N 2.82Å; S42-I45 VanDerWaalsContact O-N 3.14Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 2.9Å; I45-L48 PolarHBondContact O-N 3.14Å
46I94.8Very high93.7Very high40 Ų4039.5 Ų39.521%0.20522%0.223CC..Hα-helixtrans-62.9-38.6177.1-64.4154000110.6M7 L10 T11 S42 T43 F44 L48 F49 P50M7-I46 HydrophobicContact SD-CG2 4.27Å; L10-I46 HydrophobicContact CD2-CB 4.31Å; L10-I46 HydrophobicContact CD2-CD1 3.33Å; L10-I46 HydrophobicContact CD2-CG1 3.93Å; L10-I46 HydrophobicContact CD2-CG2 3.54Å; T11-I46 HydrophobicContact CG2-CB 4.17Å; T11-I46 HydrophobicContact CG2-CG2 3.61Å; S42-I46 WeakPolarHBondContact O-CD1 3.43Å; S42-I46 VanDerWaalsContact O-CG1 3.29Å; S42-I46 WeakPolarHBondContact O-CG1 3.3Å; S42-I46 PolarHBondContact O-N 3.38Å; T43-I46 PolarHBondContact O-N 3.46Å; F44-I46 VanDerWaalsContact C-N 3.32Å; F44-I46 PolarHBondContact O-N 3Å; I46-L48 VanDerWaalsContact C-N 3.29Å; I46-L48 PolarHBondContact O-N 3.46Å; I46-F49 PolarHBondContact O-N 2.88Å; I46-P50 WeakPolarHBondContact O-CD 3.41Å
47S95.4Very high93.5Very high1 Ų143.8 Ų43.81%0.00725%0.245CC..Hα-helixtrans-71.8-19.3-178.5740000114.3T11 T43 F44 I45 F49 P50 T51T11-S47 VanDerWaalsContact CG2-CA 3.46Å; T43-S47 WeakPolarHBondContact O-CB 3.4Å; T43-S47 PolarHBondContact O-N 2.86Å; F44-S47 PolarHBondContact O-N 3.4Å; F44-S47 PolarHBondContact O-OG 3.44Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 2.9Å; S47-F49 VanDerWaalsContact C-N 3.26Å; S47-F49 PolarHBondContact O-N 3.43Å; S47-P50 WeakPolarHBondContact O-CD 3.35Å; S47-P50 VanDerWaalsContact O-CG 3.23Å; S47-P50 WeakPolarHBondContact O-CG 3.45Å; S47-T51 WeakPolarHBondContact O-CG2 3.29Å; S47-T51 PolarHBondContact O-N 3.17Å; S47-T51 PolarHBondContact O-OG1 3.42Å
48L93.7Very high93.1Very high69 Ų6946 Ų4636%0.36126%0.259SS..Hα-helixtrans-67.1-28172.8-68.4173.7000112.8F44 I45 I46 T51 T52 P91F44-L48 HydrophobicContact CE1-CD1 3.88Å; F44-L48 HydrophobicContact CE2-CD1 4.46Å; F44-L48 HydrophobicContact CE2-CD2 4.1Å; F44-L48 HydrophobicContact CE2-CG 4.3Å; F44-L48 HydrophobicContact CZ-CD1 3.83Å; F44-L48 HydrophobicContact CZ-CD2 4.08Å; F44-L48 HydrophobicContact CZ-CG 4.15Å; F44-L48 PolarHBondContact O-N 3.29Å; I45-L48 PolarHBondContact O-N 3.14Å; I46-L48 VanDerWaalsContact C-N 3.29Å; I46-L48 PolarHBondContact O-N 3.46Å; L48-T51 VanDerWaalsContact C-OG1 3.31Å; L48-T51 VanDerWaalsContact CA-OG1 3.26Å; L48-T51 WeakPolarHBondContact CA-OG1 3.16Å; L48-T51 PolarHBondContact O-OG1 3.34Å; L48-T52 WeakPolarHBondContact O-CB 3.23Å; L48-T52 VanDerWaalsContact O-CG2 3.27Å; L48-T52 WeakPolarHBondContact O-CG2 3.27Å; L48-T52 PolarHBondContact O-N 3.23Å; L48-T52 PolarHBondContact O-OG1 2.98Å; L48-P91 HydrophobicContact CD2-CB 4.18Å
49F92.5Very high92.7Very high64 Ų6446.1 Ų46.128%0.28125%0.252SS..Hα-helixtrans-64.6-54.4178.1-168.4-86.5000113.3M3 M7 I46 S47 T51 T52 M53M3-F49 HydrophobicContact CE-CD1 4.3Å; M3-F49 HydrophobicContact CE-CD2 4.36Å; M3-F49 HydrophobicContact CE-CE1 3.49Å; M3-F49 VanDerWaalsContact CE-CE1 3.49Å; M3-F49 HydrophobicContact CE-CE2 3.56Å; M3-F49 HydrophobicContact CE-CZ 3.08Å; M3-F49 HydrophobicContact CG-CE1 3.64Å; M3-F49 HydrophobicContact CG-CZ 4.09Å; M3-F49 HydrophobicContact SD-CE1 3.49Å; M3-F49 WeakPolarHBondContact SD-CE1 3.38Å; M3-F49 HydrophobicContact SD-CE2 4.3Å; M3-F49 HydrophobicContact SD-CZ 3.28Å; M3-F49 WeakPolarHBondContact SD-CZ 3.45Å; M7-F49 HydrophobicContact CB-CD1 4.22Å; M7-F49 HydrophobicContact CG-CD1 3.7Å; M7-F49 HydrophobicContact CG-CE1 4.34Å; M7-F49 HydrophobicContact CG-CG 4.33Å; I46-F49 PolarHBondContact O-N 2.88Å; S47-F49 VanDerWaalsContact C-N 3.26Å; S47-F49 PolarHBondContact O-N 3.43Å; F49-T51 VanDerWaalsContact C-N 3.25Å; F49-T51 PolarHBondContact O-N 3.27Å; F49-T52 PolarHBondContact O-N 3.39Å; F49-T52 PolarHBondContact O-OG1 3.34Å; F49-M53 HydrophobicContact CD1-CG 4.16Å; F49-M53 HydrophobicContact CE1-CG 3.64Å; F49-M53 HydrophobicContact CE1-SD 4.38Å; F49-M53 HydrophobicContact CZ-CG 3.99Å; F49-M53 HydrophobicContact CZ-SD 4.24Å; F49-M53 WeakPolarHBondContact O-CG 3.48Å; F49-M53 PolarHBondContact O-N 3.07Å; F49-M53 VanDerWaalsContact O-N 3.07Å
50P91.6Very high92.4Very high4 Ų450.5 Ų50.53%0.02627%0.272CS..Hα-helixtrans-62.2-33175.923.6-32.2000112.4H4 T8 I46 S47 F54 M87H4-P50 WeakPolarHBondContact CE1-CB 3.27Å; H4-P50 WeakPolarHBondContact ND1-CB 3.2Å; T8-P50 HydrophobicContact CG2-CB 3.55Å; T8-P50 HydrophobicContact CG2-CG 3.99Å; I46-P50 WeakPolarHBondContact O-CD 3.41Å; S47-P50 WeakPolarHBondContact O-CD 3.35Å; S47-P50 VanDerWaalsContact O-CG 3.23Å; S47-P50 WeakPolarHBondContact O-CG 3.45Å; P50-F54 WeakPolarHBondContact O-CB 3.03Å; P50-F54 PolarHBondContact O-N 3Å; P50-M87 HydrophobicContact CB-CE 4.5Å; P50-M87 HydrophobicContact CB-SD 4.01Å
51T91.8Very high92.1Very high13 Ų1351.4 Ų51.48%0.0828%0.278CS..Hα-helixtrans-69.5-40175.955.20000113.8S47 L48 F49 M53 F54 M55 M87 P91S47-T51 WeakPolarHBondContact O-CG2 3.29Å; S47-T51 PolarHBondContact O-N 3.17Å; S47-T51 PolarHBondContact O-OG1 3.42Å; L48-T51 VanDerWaalsContact C-OG1 3.31Å; L48-T51 VanDerWaalsContact CA-OG1 3.26Å; L48-T51 WeakPolarHBondContact CA-OG1 3.16Å; L48-T51 PolarHBondContact O-OG1 3.34Å; F49-T51 VanDerWaalsContact C-N 3.25Å; F49-T51 PolarHBondContact O-N 3.27Å; T51-M53 VanDerWaalsContact C-N 3.33Å; T51-F54 PolarHBondContact O-N 3.08Å; T51-M55 WeakPolarHBondContact O-CG 3.32Å; T51-M55 PolarHBondContact O-N 3.18Å; T51-M87 HydrophobicContact CG2-CB 4.22Å; T51-M87 WeakPolarHBondContact CG2-O 3.47Å; T51-M87 HydrophobicContact CG2-SD 4.47Å; T51-P91 HydrophobicContact CG2-CG 3.34Å
52T91.1Very high91.9Very high74 Ų7454.9 Ų54.945%0.45429%0.292SS..Hα-helixtrans-67.4-38.2177.747.10000111L48 F49 M55 C56L48-T52 WeakPolarHBondContact O-CB 3.23Å; L48-T52 VanDerWaalsContact O-CG2 3.27Å; L48-T52 WeakPolarHBondContact O-CG2 3.27Å; L48-T52 PolarHBondContact O-N 3.23Å; L48-T52 PolarHBondContact O-OG1 2.98Å; F49-T52 PolarHBondContact O-N 3.39Å; F49-T52 PolarHBondContact O-OG1 3.34Å; T52-M55 PolarHBondContact O-N 3.19Å; T52-C56 PolarHBondContact O-N 3.41Å; T52-C56 VanDerWaalsContact O-N 3.12Å; T52-C56 PolarHBondContact O-SG 3.2Å
53M90.4Very high91.7Very high56 Ų5653.1 Ų53.128%0.27628%0.279SS..Hα-helixtrans-61.7-43171.6-72.6-67.3-69.100112.3F49 T51 C56 L57F49-M53 HydrophobicContact CD1-CG 4.16Å; F49-M53 HydrophobicContact CE1-CG 3.64Å; F49-M53 HydrophobicContact CE1-SD 4.38Å; F49-M53 HydrophobicContact CZ-CG 3.99Å; F49-M53 HydrophobicContact CZ-SD 4.24Å; F49-M53 WeakPolarHBondContact O-CG 3.48Å; F49-M53 PolarHBondContact O-N 3.07Å; F49-M53 VanDerWaalsContact O-N 3.07Å; T51-M53 VanDerWaalsContact C-N 3.33Å; M53-C56 PolarHBondContact O-N 3.37Å; M53-L57 HydrophobicContact CE-CD1 3.86Å; M53-L57 PolarHBondContact O-N 2.9Å; M53-L57 VanDerWaalsContact O-N 3.17Å
54F90.6Very high91.3Very high8 Ų857.1 Ų57.14%0.03531%0.307CS..Hα-helixtrans-59.9-49.6174.8175.5-94.7000111P50 T51 C56 L57 D58 E60 Y84 M87 M88P50-F54 WeakPolarHBondContact O-CB 3.03Å; P50-F54 PolarHBondContact O-N 3Å; T51-F54 PolarHBondContact O-N 3.08Å; F54-C56 PolarHBondContact O-N 3.44Å; F54-L57 PolarHBondContact O-N 3.43Å; F54-D58 VanDerWaalsContact O-CA 3.31Å; F54-D58 WeakPolarHBondContact O-CA 3.28Å; F54-D58 PolarHBondContact O-N 3.42Å; F54-E60 HydrophobicContact CE2-CG 4.23Å; F54-Y84 AromaticContact CE1-CD2 3.85Å; F54-Y84 HydrophobicContact CE1-CD2 3.85Å; F54-Y84 VanDerWaalsContact CZ-CA 3.49Å; F54-Y84 HydrophobicContact CZ-CD2 4.04Å; F54-Y84 HydrophobicContact CZ-CG 4.43Å; F54-M87 HydrophobicContact CB-CB 4.3Å; F54-M87 HydrophobicContact CB-CG 3.95Å; F54-M87 HydrophobicContact CD1-CB 4.1Å; F54-M87 HydrophobicContact CD1-CG 4.41Å; F54-M87 HydrophobicContact CD2-CG 4.05Å; F54-M87 HydrophobicContact CG-CB 4.04Å; F54-M87 HydrophobicContact CG-CG 3.85Å; F54-M88 HydrophobicContact CD1-CE 4.41Å; F54-M88 HydrophobicContact CE1-CE 4.24Å
55M89.3Confident90.8Very high52 Ų5261 Ų6126%0.25633%0.329SS..Hα-helixtrans-59.2-30.4179.1-66.9-74.4-145.600114.1T51 T52 M88 N471T51-M55 WeakPolarHBondContact O-CG 3.32Å; T51-M55 PolarHBondContact O-N 3.18Å; T52-M55 PolarHBondContact O-N 3.19Å; M55-M88 HydrophobicContact CE-CE 3.16Å; M55-M88 HydrophobicContact CE-SD 3.55Å; M55-M88 VanDerWaalsContact CE-SD 3.55Å; M55-M88 HydrophobicContact CG-CE 4.43Å; M55-M88 HydrophobicContact SD-CE 3.2Å; M55-M88 WeakPolarHBondContact SD-CE 3.35Å; M55-M88 HydrophobicContact SD-SD 4.32Å; M55-N471 HydrophobicContact CE-CB 3.34Å; M55-N471 HydrophobicContact SD-CB 3.7Å
56C89.4Confident90.6Very high106 Ų10662.7 Ų62.772%0.71633%0.328SS*.Hα-helixtrans-85.6-29.1-178.6-70.40000113.7T52 M53 F54T52-C56 PolarHBondContact O-N 3.41Å; T52-C56 VanDerWaalsContact O-N 3.12Å; T52-C56 PolarHBondContact O-SG 3.2Å; M53-C56 PolarHBondContact O-N 3.37Å; F54-C56 PolarHBondContact O-N 3.44Å
57L89.1Confident90.5Very high90 Ų9065.2 Ų65.247%0.47134%0.339SS..Hα-helixtrans-122.2-10.2-168.1-63.9173.6000113.9M53 F54 Q59M53-L57 HydrophobicContact CE-CD1 3.86Å; M53-L57 PolarHBondContact O-N 2.9Å; M53-L57 VanDerWaalsContact O-N 3.17Å; F54-L57 PolarHBondContact O-N 3.43Å; L57-Q59 HydrophobicContact CB-CB 4.4Å; L57-Q59 HydrophobicContact CB-CG 3.94Å; L57-Q59 PolarHBondContact O-N 2.96Å; L57-Q59 VanDerWaalsContact O-N 3.09Å
58D88.4Confident90.4Very high88 Ų8871.4 Ų71.447%0.47136%0.362SS..  trans47.934.4-173.2-65.5-28.6000113.3F54F54-D58 VanDerWaalsContact O-CA 3.31Å; F54-D58 WeakPolarHBondContact O-CA 3.28Å; F54-D58 PolarHBondContact O-N 3.42Å
59Q86.7Confident90.4Very high68 Ų6869.9 Ų69.932%0.31836%0.36SS..  trans-88.2112.3-178.1-77.2-179.6-2.200111.5M1 L57M1-Q59 HydrophobicContact CE-CG 4.31Å; L57-Q59 HydrophobicContact CB-CB 4.4Å; L57-Q59 HydrophobicContact CB-CG 3.94Å; L57-Q59 PolarHBondContact O-N 2.96Å; L57-Q59 VanDerWaalsContact O-N 3.09Å
60E89.7Confident90.5Very high110 Ų11070.9 Ų70.951%0.51437%0.371SS..  trans-83.6140.2167.1-56.3-167.2163.300111F54 L82 D83F54-E60 HydrophobicContact CE2-CG 4.23Å; E60-L82 WeakPolarHBondContact CA-O 3.49Å; E60-D83 HydrophobicContact CG-CB 4.16Å
61V89.2Confident90.5Very high20 Ų2074.1 Ų74.112%0.12139%0.391CS..EExtended strand (participates in β ladder)trans-128.3145.6179.3-1770000110.3M1 T5 I63 L82M1-V61 HydrophobicContact SD-CG2 4.16Å; T5-V61 HydrophobicContact CG2-CG1 3.83Å; V61-I63 HydrophobicContact CG1-CG1 4.01Å; V61-L82 HydrophobicContact CB-CB 4.32Å; V61-L82 PolarHBondContact N-O 3.14Å; V61-L82 WeakPolarHBondContact O-CA 3.48Å; V61-L82 VanDerWaalsContact O-CB 3.24Å; V61-L82 WeakPolarHBondContact O-CB 3.48Å; V61-L82 PolarHBondContact O-N 3.21Å
62I91.9Very high90.5Very high92 Ų9283 Ų8347%0.47243%0.432SS..EExtended strand (participates in β ladder)trans-117.3126.2168.5-59.4171.6000107.4F80I62-F80 WeakPolarHBondContact CA-O 3.2Å
63I91.5Very high90.4Very high12 Ų1284.1 Ų84.16%0.06244%0.439CS..EExtended strand (participates in β ladder)trans-111.4101.2-178.9-57.7179.8000108.4T5 T8 V61 N65 S79 F80 L82T5-I63 HydrophobicContact CG2-CD1 3.81Å; T5-I63 HydrophobicContact CG2-CG1 3.95Å; T8-I63 VanDerWaalsContact OG1-CD1 3.31Å; T8-I63 WeakPolarHBondContact OG1-CD1 3.45Å; V61-I63 HydrophobicContact CG1-CG1 4.01Å; I63-N65 HydrophobicContact CG2-CB 4.49Å; I63-N65 WeakPolarHBondContact CG2-ND2 3.29Å; I63-N65 WeakPolarHBondContact CG2-OD1 3.01Å; I63-S79 CarbonylContact O-C 3.59Å; I63-S79 VanDerWaalsContact O-CA 3.3Å; I63-S79 WeakPolarHBondContact O-CA 3.45Å; I63-F80 HydrophobicContact CB-CB 4.39Å; I63-F80 PolarHBondContact N-O 2.92Å; I63-F80 PolarHBondContact O-N 3.44Å; I63-L82 HydrophobicContact CD1-CD1 3.44Å; I63-L82 VanDerWaalsContact CD1-CD1 3.44Å; I63-L82 HydrophobicContact CD1-CG 4.49Å; I63-L82 HydrophobicContact CG1-CD1 4.04Å
64S89.2Confident90.3Very high84 Ų8482.3 Ų82.359%0.58743%0.431SS*.EExtended strand (participates in β ladder)trans-99.889.3172.757.30000110
65N85.9Confident90.3Very high112 Ų11288.6 Ų88.660%0.59946%0.46SS*.EExtended strand (participates in β ladder)trans-89.4-41.1-170.9-79-10.3000113.7I63 L78I63-N65 HydrophobicContact CG2-CB 4.49Å; I63-N65 WeakPolarHBondContact CG2-ND2 3.29Å; I63-N65 WeakPolarHBondContact CG2-OD1 3.01Å; N65-L78 PolarHBondContact N-O 3.48Å
66W90.6Very high90.5Very high154 Ų15487 Ų8758%0.58345%0.453SS*.EExtended strand (participates in β ladder)trans-127115.6-170.4-173.247.3000110.8W68 S77 L78W66-W68 AromaticContact CH2-CD1 3.64Å; W66-W68 AromaticContact CZ3-CD1 3.75Å; W66-W68 HydrophobicContact CZ3-CG 4.36Å; W66-W68 PolarHBondContact O-N 3.03Å; W66-S77 CarbonylContact O-C 3.2Å; W66-S77 VanDerWaalsContact O-CA 3.31Å; W66-S77 WeakPolarHBondContact O-CA 3.27Å; W66-L78 HydrophobicContact CB-CB 4.23Å; W66-L78 HydrophobicContact CE3-CB 4.41Å; W66-L78 HydrophobicContact CE3-CD1 4.43Å; W66-L78 PolarHBondContact O-N 3.49Å
67H93.3Very high90.6Very high92 Ų9283.4 Ų83.443%0.42643%0.429SS..EExtended strand (participates in β ladder)trans-73.2114.2170179.9-73.2000109A69 T70H67-A69 VanDerWaalsContact CE1-C 3.45Å; H67-T70 VanDerWaalsContact CE1-CG2 3.41Å; H67-T70 WeakPolarHBondContact CE1-CG2 3.5Å; H67-T70 WeakPolarHBondContact NE2-CG2 3.36Å
68W92.3Very high90.8Very high131 Ų13182.1 Ų82.150%0.49642%0.422SS..EExtended strand (participates in β ladder)trans-85.8-56.6-175.5-175.137.7000111.8W66 L76 F138W66-W68 AromaticContact CH2-CD1 3.64Å; W66-W68 AromaticContact CZ3-CD1 3.75Å; W66-W68 HydrophobicContact CZ3-CG 4.36Å; W66-W68 PolarHBondContact O-N 3.03Å; W68-L76 WeakPolarHBondContact CA-O 3.48Å; W68-L76 WeakPolarHBondContact CB-O 3.48Å; W68-L76 HydrophobicContact CE3-CB 4.02Å; W68-L76 HydrophobicContact CE3-CD1 4.09Å; W68-L76 HydrophobicContact CZ3-CD1 4.06Å; W68-L76 PolarHBondContact N-O 2.76Å; W68-F138 HydrophobicContact CE3-CD1 4.43Å; W68-F138 HydrophobicContact CE3-CE1 4.07Å; W68-F138 HydrophobicContact CH2-CD1 4.45Å; W68-F138 AromaticContact CH2-CE1 3.41Å; W68-F138 HydrophobicContact CH2-CE1 3.41Å; W68-F138 VanDerWaalsContact CH2-CE1 3.41Å; W68-F138 AromaticContact CH2-CZ 3.64Å; W68-F138 HydrophobicContact CH2-CZ 3.64Å; W68-F138 AromaticContact CZ3-CD1 3.72Å; W68-F138 HydrophobicContact CZ3-CD1 3.72Å; W68-F138 AromaticContact CZ3-CE1 3.07Å; W68-F138 HydrophobicContact CZ3-CE1 3.07Å; W68-F138 AromaticContact CZ3-CZ 3.66Å; W68-F138 HydrophobicContact CZ3-CZ 3.66Å
69A93.9Very high91.1Very high38 Ų3878 Ų7831%0.31440%0.4SS..EExtended strand (participates in β ladder)trans-159.1148.117900000111.7H67 L76H67-A69 VanDerWaalsContact CE1-C 3.45Å; A69-L76 PolarHBondContact N-O 2.87Å; A69-L76 VanDerWaalsContact N-O 3.12Å; A69-L76 WeakPolarHBondContact O-CA 3.45Å; A69-L76 WeakPolarHBondContact O-CB 3.24Å; A69-L76 PolarHBondContact O-N 3.46Å
70T93.9Very high91.4Very high84 Ų8476.2 Ų76.252%0.51539%0.391SS..EExtended strand (participates in β ladder)trans-105.3117.7167.946.80000109.8H67 Q75H67-T70 VanDerWaalsContact CE1-CG2 3.41Å; H67-T70 WeakPolarHBondContact CE1-CG2 3.5Å; H67-T70 WeakPolarHBondContact NE2-CG2 3.36Å; T70-Q75 HydrophobicContact CG2-CG 3.93Å
71T91.9Very high91.6Very high73 Ų7372.9 Ų72.945%0.44838%0.375SS..EExtended strand (participates in β ladder)trans-105.397.6171.640.80000109.6T73 T74T71-T73 PolarHBondContact O-N 3.34Å; T71-T74 PolarHBondContact N-O 3.13Å; T71-T74 PolarHBondContact O-N 2.98Å; T71-T74 PolarHBondContact O-OG1 3.41Å; T71-T74 VanDerWaalsContact O-OG1 3.07Å; T71-T74 PolarHBondContact OG1-OG1 3.13Å
72Q91.6Very high91.7Very high199 Ų19972 Ų7293%0.9337%0.37SS*.THydrogen-bonded Turntrans53.9-93.4-175.1-61.1177-12.800112.5
73T89.9Confident91.8Very high98 Ų9867.8 Ų67.860%0.60135%0.348SS*.THydrogen-bonded Turntrans-104.3-13.6-176.950.90000113.2T71 N194T71-T73 PolarHBondContact O-N 3.34Å; T73-N194 WeakPolarHBondContact CB-ND2 2.94Å; T73-N194 PolarHBondContact OG1-ND2 3.01Å; T73-N194 PolarHBondContact OG1-OD1 3.23Å
74T88.8Confident91.8Very high18 Ų1868 Ų6811%0.1135%0.348CS..EExtended strand (participates in β ladder)trans-97.3123.4-179.856.50000111.4T71 I190 N194T71-T74 PolarHBondContact N-O 3.13Å; T71-T74 PolarHBondContact O-N 2.98Å; T71-T74 PolarHBondContact O-OG1 3.41Å; T71-T74 VanDerWaalsContact O-OG1 3.07Å; T71-T74 PolarHBondContact OG1-OG1 3.13Å; T74-I190 HydrophobicContact CG2-CD1 3.5Å; T74-N194 VanDerWaalsContact CG2-O 3.26Å; T74-N194 WeakPolarHBondContact CG2-O 3.41Å; T74-N194 VanDerWaalsContact CG2-OD1 3.32Å; T74-N194 WeakPolarHBondContact CG2-OD1 3.35Å
75Q90.2Very high92Very high140 Ų14064.6 Ų64.665%0.65432%0.323SS*.EExtended strand (participates in β ladder)trans-96.9112.5176.7-61.6-173.1-14.700109.4T70T70-Q75 HydrophobicContact CG2-CG 3.93Å
76L92.1Very high92.4Very high18 Ų1859.2 Ų59.29%0.09429%0.294CS..EExtended strand (participates in β ladder)trans-90.2112.5174-56.5-179.3000108.8W68 A69 W196W68-L76 WeakPolarHBondContact CA-O 3.48Å; W68-L76 WeakPolarHBondContact CB-O 3.48Å; W68-L76 HydrophobicContact CE3-CB 4.02Å; W68-L76 HydrophobicContact CE3-CD1 4.09Å; W68-L76 HydrophobicContact CZ3-CD1 4.06Å; W68-L76 PolarHBondContact N-O 2.76Å; A69-L76 PolarHBondContact N-O 2.87Å; A69-L76 VanDerWaalsContact N-O 3.12Å; A69-L76 WeakPolarHBondContact O-CA 3.45Å; A69-L76 WeakPolarHBondContact O-CB 3.24Å; A69-L76 PolarHBondContact O-N 3.46Å; L76-W196 HydrophobicContact CD1-CZ3 3.87Å; L76-W196 HydrophobicContact CD2-CD2 4.4Å; L76-W196 HydrophobicContact CD2-CE3 3.26Å; L76-W196 HydrophobicContact CD2-CH2 4.41Å; L76-W196 HydrophobicContact CD2-CZ3 3.28Å; L76-W196 HydrophobicContact CG-CZ3 4.22Å
77S93.3Very high92.5Very high31 Ų3152 Ų5222%0.21727%0.267CS..EExtended strand (participates in β ladder)trans-117.9155.8172.160.50000110.8W66 S79 N136W66-S77 CarbonylContact O-C 3.2Å; W66-S77 VanDerWaalsContact O-CA 3.31Å; W66-S77 WeakPolarHBondContact O-CA 3.27Å; S77-S79 PolarHBondContact O-N 3.25Å; S77-N136 PolarHBondContact O-ND2 3.44Å
78L93Very high92.5Very high63 Ų6348.3 Ų48.333%0.3325%0.25SS..EExtended strand (participates in β ladder)trans-82.8104.5165.6-173142.9000107.5N65 W66 F80N65-L78 PolarHBondContact N-O 3.48Å; W66-L78 HydrophobicContact CB-CB 4.23Å; W66-L78 HydrophobicContact CE3-CB 4.41Å; W66-L78 HydrophobicContact CE3-CD1 4.43Å; W66-L78 PolarHBondContact O-N 3.49Å; L78-F80 HydrophobicContact CD2-CD2 4.09Å; L78-F80 HydrophobicContact CD2-CE1 4.46Å; L78-F80 HydrophobicContact CD2-CE2 3.24Å; L78-F80 HydrophobicContact CD2-CZ 3.48Å; L78-F80 VanDerWaalsContact CD2-CZ 3.48Å; L78-F80 HydrophobicContact CG-CE2 4.44Å; L78-F80 HydrophobicContact CG-CZ 4.32Å
79S93.6Very high92.6Very high2 Ų242.1 Ų42.11%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-128.5121.9-166.6530000110.5I63 S77 N135 N136 Q139I63-S79 CarbonylContact O-C 3.59Å; I63-S79 VanDerWaalsContact O-CA 3.3Å; I63-S79 WeakPolarHBondContact O-CA 3.45Å; S77-S79 PolarHBondContact O-N 3.25Å; S79-N135 WeakPolarHBondContact O-CB 3.15Å; S79-N135 PolarHBondContact O-N 3.46Å; S79-N135 WeakPolarHBondContact OG-CB 3.28Å; S79-N136 PolarHBondContact OG-ND2 3.14Å; S79-N136 VanDerWaalsContact OG-ND2 3.1Å; S79-N136 PolarHBondContact OG-OD1 3.06Å; S79-Q139 VanDerWaalsContact N-OE1 3.17Å; S79-Q139 PolarHBondContact O-OE1 3.27Å; S79-Q139 VanDerWaalsContact O-OE1 3.07Å
80F93.6Very high92.7Very high30 Ų3040.8 Ų40.813%0.13221%0.214CC..EExtended strand (participates in β ladder)trans-102.8121.6178.5-60.6-68.2000110.6L12 I62 I63 L78 T133L12-F80 HydrophobicContact CD1-CD1 3.88Å; L12-F80 HydrophobicContact CD1-CD2 4.21Å; L12-F80 HydrophobicContact CD1-CE1 3.68Å; L12-F80 HydrophobicContact CD1-CE2 4.01Å; L12-F80 HydrophobicContact CD1-CG 4.13Å; L12-F80 HydrophobicContact CD1-CZ 3.75Å; I62-F80 WeakPolarHBondContact CA-O 3.2Å; I63-F80 HydrophobicContact CB-CB 4.39Å; I63-F80 PolarHBondContact N-O 2.92Å; I63-F80 PolarHBondContact O-N 3.44Å; L78-F80 HydrophobicContact CD2-CD2 4.09Å; L78-F80 HydrophobicContact CD2-CE1 4.46Å; L78-F80 HydrophobicContact CD2-CE2 3.24Å; L78-F80 HydrophobicContact CD2-CZ 3.48Å; L78-F80 VanDerWaalsContact CD2-CZ 3.48Å; L78-F80 HydrophobicContact CG-CE2 4.44Å; L78-F80 HydrophobicContact CG-CZ 4.32Å; F80-T133 CarbonylContact C-O 3.49Å; F80-T133 WeakPolarHBondContact CA-O 3.41Å; F80-T133 VanDerWaalsContact CD1-OG1 3.31Å; F80-T133 WeakPolarHBondContact CD1-OG1 3.34Å
81K93.3Very high92.8Very high39 Ų3937.3 Ų37.317%0.1719%0.193CC..EExtended strand (participates in β ladder)trans-90.7115.7171.3-173.7176-177.8177.10109.2D83 S86 T133 N135K81-D83 WeakPolarHBondContact CE-OD2 3.29Å; K81-D83 HydrophobicContact CG-CB 4.24Å; K81-D83 IonicContact NZ-OD2 3.18Å; K81-S86 PolarHBondContact O-OG 2.99Å; K81-T133 PolarHBondContact N-O 3.37Å; K81-N135 HydrophobicContact CB-CB 3.93Å
82L92.9Very high93Very high3 Ų334.4 Ų34.42%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-108.374.1-178.2-71.8-177.8000109.5T8 E60 V61 I63 S86 M87T8-L82 HydrophobicContact CG2-CD1 3.4Å; T8-L82 HydrophobicContact CG2-CD2 4.04Å; T8-L82 HydrophobicContact CG2-CG 4.34Å; T8-L82 WeakPolarHBondContact OG1-CD1 3.44Å; E60-L82 WeakPolarHBondContact CA-O 3.49Å; V61-L82 HydrophobicContact CB-CB 4.32Å; V61-L82 PolarHBondContact N-O 3.14Å; V61-L82 WeakPolarHBondContact O-CA 3.48Å; V61-L82 VanDerWaalsContact O-CB 3.24Å; V61-L82 WeakPolarHBondContact O-CB 3.48Å; V61-L82 PolarHBondContact O-N 3.21Å; I63-L82 HydrophobicContact CD1-CD1 3.44Å; I63-L82 VanDerWaalsContact CD1-CD1 3.44Å; I63-L82 HydrophobicContact CD1-CG 4.49Å; I63-L82 HydrophobicContact CG1-CD1 4.04Å; L82-S86 VanDerWaalsContact CA-OG 3.28Å; L82-S86 WeakPolarHBondContact CA-OG 3.44Å; L82-M87 HydrophobicContact CB-CE 3.31Å; L82-M87 HydrophobicContact CD1-CE 3.92Å; L82-M87 HydrophobicContact CD2-CE 3.58Å; L82-M87 HydrophobicContact CG-CE 3.75Å
83D92.6Very high93.2Very high3 Ų324.9 Ų24.92%0.01613%0.131CC..SBendtrans-110.2-178.6178.169.2-17.7000112.5E60 K81 F85 S86 M87 R262E60-D83 HydrophobicContact CG-CB 4.16Å; K81-D83 WeakPolarHBondContact CE-OD2 3.29Å; K81-D83 HydrophobicContact CG-CB 4.24Å; K81-D83 IonicContact NZ-OD2 3.18Å; D83-F85 VanDerWaalsContact C-N 3.26Å; D83-F85 PolarHBondContact O-N 3Å; D83-F85 VanDerWaalsContact O-N 3.15Å; D83-S86 PolarHBondContact N-OG 3.42Å; D83-S86 PolarHBondContact O-N 3.48Å; D83-S86 PolarHBondContact O-OG 3.08Å; D83-S86 PolarHBondContact OD1-N 2.92Å; D83-S86 VanDerWaalsContact OD1-N 3.16Å; D83-S86 PolarHBondContact OD1-OG 3Å; D83-M87 WeakPolarHBondContact O-CB 3.27Å; D83-M87 WeakPolarHBondContact O-CG 3.15Å; D83-M87 PolarHBondContact O-N 3.47Å; D83-R262 IonicContact OD1-CZ 2.55Å; D83-R262 VanDerWaalsContact OD1-CZ 3.26Å; D83-R262 IonicContact OD1-NH1 3.96Å; D83-R262 PolarHBondContact OD1-NH1 2.83Å; D83-R262 IonicContact OD1-NH2 3.41Å; D83-R262 PolarHBondContact OD1-NH2 2.9Å; D83-R262 IonicContact OD2-CZ 3.49Å; D83-R262 IonicContact OD2-NH1 3.13Å; D83-R262 PolarHBondContact OD2-NH1 2.69Å; D83-R262 IonicContact OD2-NH2 3.38Å
84Y91.9Very high93.5Very high15 Ų1520.3 Ų20.36%0.05910%0.103CC..Hα-helixtrans-41.7-50.8176.6173.6-102.7000113.5F54 M87 M88 H323 F326 I472F54-Y84 AromaticContact CE1-CD2 3.85Å; F54-Y84 HydrophobicContact CE1-CD2 3.85Å; F54-Y84 VanDerWaalsContact CZ-CA 3.49Å; F54-Y84 HydrophobicContact CZ-CD2 4.04Å; F54-Y84 HydrophobicContact CZ-CG 4.43Å; Y84-M87 PolarHBondContact O-N 3.47Å; Y84-M88 HydrophobicContact CD2-CE 4.14Å; Y84-M88 HydrophobicContact CD2-CG 4.21Å; Y84-M88 HydrophobicContact CE2-CE 3.75Å; Y84-M88 HydrophobicContact CE2-CG 3.93Å; Y84-M88 WeakPolarHBondContact O-CB 3.48Å; Y84-M88 VanDerWaalsContact O-CG 3.32Å; Y84-M88 WeakPolarHBondContact O-CG 3.15Å; Y84-M88 PolarHBondContact O-N 3.01Å; Y84-M88 VanDerWaalsContact O-N 3.1Å; Y84-H323 AromaticContact CE1-CD2 3.91Å; Y84-F326 HydrophobicContact CD1-CD1 4.3Å; Y84-F326 HydrophobicContact CD1-CE1 4.41Å; Y84-F326 AromaticContact CE1-CD1 3.49Å; Y84-F326 HydrophobicContact CE1-CD1 3.49Å; Y84-F326 VanDerWaalsContact CE1-CD1 3.49Å; Y84-F326 AromaticContact CE1-CE1 3.83Å; Y84-F326 HydrophobicContact CE1-CE1 3.83Å; Y84-F326 HydrophobicContact CE1-CG 4.39Å; Y84-I472 HydrophobicContact CE2-CB 4.33Å; Y84-I472 HydrophobicContact CE2-CD1 4.44Å; Y84-I472 HydrophobicContact CE2-CG1 3.89Å; Y84-I472 HydrophobicContact CE2-CG2 3.64Å; Y84-I472 WeakPolarHBondContact OH-CD1 3.3Å; Y84-I472 WeakPolarHBondContact OH-CG1 3.4Å
85F94Very high93.9Very high13 Ų1321 Ų216%0.05710%0.104CC..Hα-helixtrans-65.1-44-177-58.3-56.8000112.3D83 F89 F258 I261 H323 F326D83-F85 VanDerWaalsContact C-N 3.26Å; D83-F85 PolarHBondContact O-N 3Å; D83-F85 VanDerWaalsContact O-N 3.15Å; F85-F89 WeakPolarHBondContact O-CB 3.31Å; F85-F89 PolarHBondContact O-N 3.48Å; F85-F258 HydrophobicContact CB-CE2 3.91Å; F85-F258 HydrophobicContact CB-CZ 4.36Å; F85-I261 HydrophobicContact CD1-CG2 3.7Å; F85-I261 HydrophobicContact CD2-CG2 4.26Å; F85-I261 HydrophobicContact CE1-CG2 3.27Å; F85-I261 HydrophobicContact CE2-CG2 3.88Å; F85-I261 HydrophobicContact CG-CG2 4.18Å; F85-I261 HydrophobicContact CZ-CG2 3.38Å; F85-H323 AromaticContact CZ-NE2 3.94Å; F85-F326 HydrophobicContact CB-CD2 4.43Å; F85-F326 HydrophobicContact CB-CE2 4.07Å; F85-F326 HydrophobicContact CB-CZ 4.33Å; 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 3.56Å; F85-F326 HydrophobicContact CD1-CG 3.56Å; 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 4.47Å; F85-F326 WeakPolarHBondContact O-CE2 3.17Å; F85-F326 WeakPolarHBondContact O-CZ 3.47Å
86S93.9Very high94.3Very high0 Ų014.3 Ų14.30%07%0.073CC..Hα-helixtrans-69.9-43.7178.7660000112.2K81 L82 D83 M88 F89 I90K81-S86 PolarHBondContact O-OG 2.99Å; L82-S86 VanDerWaalsContact CA-OG 3.28Å; L82-S86 WeakPolarHBondContact CA-OG 3.44Å; D83-S86 PolarHBondContact N-OG 3.42Å; D83-S86 PolarHBondContact O-N 3.48Å; D83-S86 PolarHBondContact O-OG 3.08Å; D83-S86 PolarHBondContact OD1-N 2.92Å; D83-S86 VanDerWaalsContact OD1-N 3.16Å; D83-S86 PolarHBondContact OD1-OG 3Å; S86-M88 PolarHBondContact O-N 3.41Å; S86-F89 PolarHBondContact O-N 3.24Å; S86-I90 WeakPolarHBondContact O-CD1 3.49Å; S86-I90 WeakPolarHBondContact O-CG1 3.35Å; S86-I90 PolarHBondContact O-N 3.38Å
87M92.8Very high94.5Very high2 Ų213.5 Ų13.51%0.017%0.068CC..Hα-helixtrans-61.1-50.3-176.8-74.9-60.2158.800110.6H4 T8 P50 T51 F54 L82 D83 Y84 F89 P91H4-M87 WeakPolarHBondContact CE1-CE 3.17Å; T8-M87 HydrophobicContact CG2-CE 4.03Å; P50-M87 HydrophobicContact CB-CE 4.5Å; P50-M87 HydrophobicContact CB-SD 4.01Å; T51-M87 HydrophobicContact CG2-CB 4.22Å; T51-M87 WeakPolarHBondContact CG2-O 3.47Å; T51-M87 HydrophobicContact CG2-SD 4.47Å; F54-M87 HydrophobicContact CB-CB 4.3Å; F54-M87 HydrophobicContact CB-CG 3.95Å; F54-M87 HydrophobicContact CD1-CB 4.1Å; F54-M87 HydrophobicContact CD1-CG 4.41Å; F54-M87 HydrophobicContact CD2-CG 4.05Å; F54-M87 HydrophobicContact CG-CB 4.04Å; F54-M87 HydrophobicContact CG-CG 3.85Å; L82-M87 HydrophobicContact CB-CE 3.31Å; L82-M87 HydrophobicContact CD1-CE 3.92Å; L82-M87 HydrophobicContact CD2-CE 3.58Å; L82-M87 HydrophobicContact CG-CE 3.75Å; D83-M87 WeakPolarHBondContact O-CB 3.27Å; D83-M87 WeakPolarHBondContact O-CG 3.15Å; D83-M87 PolarHBondContact O-N 3.47Å; Y84-M87 PolarHBondContact O-N 3.47Å; M87-F89 PolarHBondContact O-N 2.93Å; M87-P91 WeakPolarHBondContact O-CD 3.27Å
88M93.3Very high94.7Very high14 Ų1414.4 Ų14.47%0.0697%0.067CC..Hα-helixtrans-68-37.2-179.9-66.4-64.3-179.800113F54 M55 Y84 S86 V92 F326 I472F54-M88 HydrophobicContact CD1-CE 4.41Å; F54-M88 HydrophobicContact CE1-CE 4.24Å; M55-M88 HydrophobicContact CE-CE 3.16Å; M55-M88 HydrophobicContact CE-SD 3.55Å; M55-M88 VanDerWaalsContact CE-SD 3.55Å; M55-M88 HydrophobicContact CG-CE 4.43Å; M55-M88 HydrophobicContact SD-CE 3.2Å; M55-M88 WeakPolarHBondContact SD-CE 3.35Å; M55-M88 HydrophobicContact SD-SD 4.32Å; Y84-M88 HydrophobicContact CD2-CE 4.14Å; Y84-M88 HydrophobicContact CD2-CG 4.21Å; Y84-M88 HydrophobicContact CE2-CE 3.75Å; Y84-M88 HydrophobicContact CE2-CG 3.93Å; Y84-M88 WeakPolarHBondContact O-CB 3.48Å; Y84-M88 VanDerWaalsContact O-CG 3.32Å; Y84-M88 WeakPolarHBondContact O-CG 3.15Å; Y84-M88 PolarHBondContact O-N 3.01Å; Y84-M88 VanDerWaalsContact O-N 3.1Å; S86-M88 PolarHBondContact O-N 3.41Å; M88-V92 WeakPolarHBondContact O-CG2 3.49Å; M88-F326 HydrophobicContact CB-CE1 3.54Å; M88-F326 HydrophobicContact CB-CZ 3.75Å; M88-F326 HydrophobicContact CG-CE1 4.16Å; M88-I472 HydrophobicContact CE-CG1 3.78Å
89F95.2Very high94.9Very high1 Ų111.4 Ų11.40%0.0045%0.052CC..Hα-helixtrans-76.5-36.6-172.9-174-89.8000113.2F85 S86 M87 V92 A93 M128 V132 S250 V254 F326 I329F85-F89 WeakPolarHBondContact O-CB 3.31Å; F85-F89 PolarHBondContact O-N 3.48Å; S86-F89 PolarHBondContact O-N 3.24Å; M87-F89 PolarHBondContact O-N 2.93Å; F89-V92 PolarHBondContact O-N 3.47Å; F89-A93 HydrophobicContact CD1-CB 4.1Å; F89-A93 HydrophobicContact CE1-CB 3.74Å; F89-A93 HydrophobicContact CZ-CB 4.33Å; F89-A93 WeakPolarHBondContact O-CB 3.34Å; F89-A93 PolarHBondContact O-N 3.15Å; F89-M128 HydrophobicContact CE1-CE 3.72Å; F89-M128 HydrophobicContact CE1-CG 4.32Å; F89-M128 HydrophobicContact CZ-CE 3.5Å; F89-M128 VanDerWaalsContact CZ-CE 3.5Å; F89-V132 HydrophobicContact CB-CG1 4.09Å; F89-V132 HydrophobicContact CD1-CB 4.14Å; F89-V132 HydrophobicContact CD1-CG1 3.71Å; F89-V132 HydrophobicContact CD1-CG2 3.51Å; F89-V132 HydrophobicContact CE1-CB 4.47Å; F89-V132 HydrophobicContact CE1-CG1 4.49Å; F89-V132 HydrophobicContact CE1-CG2 3.45Å; F89-V132 VanDerWaalsContact CE1-CG2 3.45Å; F89-V132 HydrophobicContact CG-CG1 4.19Å; F89-V132 HydrophobicContact CG-CG2 4.37Å; F89-V132 HydrophobicContact CZ-CG2 4.25Å; F89-S250 WeakPolarHBondContact CE2-O 3.13Å; F89-S250 WeakPolarHBondContact CZ-O 3.09Å; F89-V254 HydrophobicContact CE2-CG1 4.32Å; F89-F326 HydrophobicContact CB-CE2 4.04Å; F89-F326 HydrophobicContact CB-CZ 3.92Å; F89-F326 HydrophobicContact CD2-CE2 4.38Å; F89-I329 HydrophobicContact CD2-CG2 4.18Å; F89-I329 HydrophobicContact CE2-CG2 3.97Å
90I95.2Very high95.1Very high10 Ų1011.3 Ų11.35%0.0515%0.051CC..Hα-helixtrans-57.6-51-176.2-68.4162.3000112S86 V92 A93 L94 L129 T133S86-I90 WeakPolarHBondContact O-CD1 3.49Å; S86-I90 WeakPolarHBondContact O-CG1 3.35Å; S86-I90 PolarHBondContact O-N 3.38Å; I90-V92 PolarHBondContact O-N 2.83Å; I90-A93 PolarHBondContact O-N 2.97Å; I90-L94 HydrophobicContact CG2-CD1 3.72Å; I90-L94 HydrophobicContact CG2-CG 4.41Å; I90-L94 WeakPolarHBondContact O-CB 3.14Å; I90-L94 VanDerWaalsContact O-CG 3.28Å; I90-L94 WeakPolarHBondContact O-CG 3.48Å; I90-L94 PolarHBondContact O-N 3.24Å; I90-L129 HydrophobicContact CB-CD2 4.26Å; I90-L129 HydrophobicContact CG1-CD2 3.9Å; I90-L129 HydrophobicContact CG2-CD2 4.02Å; I90-T133 HydrophobicContact CD1-CG2 3.62Å; I90-T133 HydrophobicContact CG1-CG2 4.32Å
91P95.6Very high95.2Very high12 Ų129.9 Ų9.98%0.0785%0.045CC..Hα-helixtrans-64.7-36.9176.7-18.729.6000113F44 L48 T51 M87 L94 F95F44-P91 HydrophobicContact CD2-CB 4.3Å; F44-P91 WeakPolarHBondContact CD2-O 3.19Å; F44-P91 HydrophobicContact CE2-CB 4.04Å; L48-P91 HydrophobicContact CD2-CB 4.18Å; T51-P91 HydrophobicContact CG2-CG 3.34Å; M87-P91 WeakPolarHBondContact O-CD 3.27Å; P91-L94 PolarHBondContact O-N 3.44Å; P91-F95 WeakPolarHBondContact O-CB 3.35Å; P91-F95 PolarHBondContact O-N 2.96Å
92V96.5Very high95.4Very high11 Ų118.4 Ų8.47%0.0674%0.038CC..Hα-helixtrans-62.4-47.9177.7174.30000110.3M88 F89 I90 F95 V96 C330 A333 F334M88-V92 WeakPolarHBondContact O-CG2 3.49Å; F89-V92 PolarHBondContact O-N 3.47Å; I90-V92 PolarHBondContact O-N 2.83Å; V92-F95 PolarHBondContact O-N 3.09Å; V92-V96 WeakPolarHBondContact O-CG2 3.11Å; V92-V96 PolarHBondContact O-N 3.33Å; V92-C330 HydrophobicContact CG2-CB 4.36Å; V92-A333 HydrophobicContact CG1-CB 3.7Å; V92-F334 HydrophobicContact CG1-CE2 3.99Å; V92-F334 HydrophobicContact CG1-CZ 4.21Å; V92-F334 HydrophobicContact CG2-CE2 4.12Å; V92-F334 HydrophobicContact CG2-CZ 4.16Å
93A96.3Very high95.6Very high0 Ų08.2 Ų8.20%04%0.037CC..Hα-helixtrans-62.3-44.5176.900000111.8F89 I90 T97F89-A93 HydrophobicContact CD1-CB 4.1Å; F89-A93 HydrophobicContact CE1-CB 3.74Å; F89-A93 HydrophobicContact CZ-CB 4.33Å; F89-A93 WeakPolarHBondContact O-CB 3.34Å; F89-A93 PolarHBondContact O-N 3.15Å; I90-A93 PolarHBondContact O-N 2.97Å; A93-T97 WeakPolarHBondContact O-CB 3.36Å; A93-T97 VanDerWaalsContact O-CG2 3.28Å; A93-T97 WeakPolarHBondContact O-CG2 3.49Å; A93-T97 PolarHBondContact O-N 3.31Å; A93-T97 PolarHBondContact O-OG1 3.42Å
94L96.6Very high95.8Very high1 Ų18.1 Ų8.11%0.0054%0.037CC..Hα-helixtrans-65.9-38.7177.8-71.4173000112.7L15 V40 T43 F44 I90 P91 T97 W98 L125 L129L15-L94 HydrophobicContact CD1-CD2 4.34Å; V40-L94 HydrophobicContact CG1-CD2 4.33Å; T43-L94 WeakPolarHBondContact OG1-CD2 3.29Å; F44-L94 HydrophobicContact CB-CB 3.99Å; F44-L94 HydrophobicContact CD2-CB 4.21Å; I90-L94 HydrophobicContact CG2-CD1 3.72Å; I90-L94 HydrophobicContact CG2-CG 4.41Å; I90-L94 WeakPolarHBondContact O-CB 3.14Å; I90-L94 VanDerWaalsContact O-CG 3.28Å; I90-L94 WeakPolarHBondContact O-CG 3.48Å; I90-L94 PolarHBondContact O-N 3.24Å; P91-L94 PolarHBondContact O-N 3.44Å; L94-T97 WeakPolarHBondContact CA-OG1 3.45Å; L94-T97 PolarHBondContact O-OG1 3.47Å; L94-T97 VanDerWaalsContact O-OG1 3.09Å; L94-W98 VanDerWaalsContact O-CB 3.27Å; L94-W98 WeakPolarHBondContact O-CB 3.36Å; L94-W98 PolarHBondContact O-N 3Å; L94-L125 HydrophobicContact CD2-CD1 4.18Å; L94-L125 HydrophobicContact CD2-CD2 3.86Å; L94-L125 HydrophobicContact CD2-CG 4.44Å; L94-L129 HydrophobicContact CD2-CD1 4.24Å
95F96.9Very high95.9Very high33 Ų338.2 Ų8.215%0.1454%0.038CC..Hα-helixtrans-65.4-46.9177-175.2-96.2000112F44 P91 V92 W98 S99 F334 R456 L457F44-F95 HydrophobicContact CD2-CB 3.97Å; F44-F95 HydrophobicContact CE1-CD2 4.03Å; F44-F95 HydrophobicContact CE2-CB 3.73Å; F44-F95 AromaticContact CE2-CD2 3.93Å; F44-F95 HydrophobicContact CE2-CD2 3.93Å; F44-F95 HydrophobicContact CE2-CG 4.29Å; F44-F95 HydrophobicContact CZ-CB 4.35Å; F44-F95 AromaticContact CZ-CD2 3.65Å; F44-F95 HydrophobicContact CZ-CD2 3.65Å; F44-F95 HydrophobicContact CZ-CE2 4.45Å; F44-F95 HydrophobicContact CZ-CG 4.44Å; P91-F95 WeakPolarHBondContact O-CB 3.35Å; P91-F95 PolarHBondContact O-N 2.96Å; V92-F95 PolarHBondContact O-N 3.09Å; F95-W98 HydrophobicContact CD2-CE3 4.17Å; F95-W98 HydrophobicContact CD2-CZ3 4.35Å; F95-W98 HydrophobicContact CE2-CE3 4.36Å; F95-W98 HydrophobicContact CE2-CZ3 4.18Å; F95-W98 PolarHBondContact O-N 3.45Å; F95-S99 PolarHBondContact O-N 3.02Å; F95-S99 VanDerWaalsContact O-N 3.13Å; F95-F334 HydrophobicContact CD1-CD1 4.01Å; F95-F334 AromaticContact CD1-CE1 3.44Å; F95-F334 HydrophobicContact CD1-CE1 3.44Å; F95-F334 VanDerWaalsContact CD1-CE1 3.44Å; F95-F334 HydrophobicContact CD1-CZ 4.48Å; F95-F334 HydrophobicContact CE1-CD1 4.02Å; F95-F334 AromaticContact CE1-CE1 3.68Å; F95-F334 HydrophobicContact CE1-CE1 3.68Å; F95-F334 HydrophobicContact CG-CE1 4.32Å; F95-R456 HydrophobicContact CZ-CB 3.93Å; F95-L457 HydrophobicContact CD1-CD2 4.09Å; F95-L457 HydrophobicContact CE1-CD2 3.91Å
96V97.2Very high96Very high0 Ų08.7 Ų8.70%04%0.04CC..Hα-helixtrans-64.2-46.7177.2172.20000110V92 W98 S99 I100 A333 A337 L457V92-V96 WeakPolarHBondContact O-CG2 3.11Å; V92-V96 PolarHBondContact O-N 3.33Å; V96-W98 VanDerWaalsContact C-N 3.35Å; V96-W98 PolarHBondContact O-N 3.32Å; V96-S99 PolarHBondContact O-N 3.34Å; V96-S99 VanDerWaalsContact O-N 3.13Å; V96-S99 PolarHBondContact O-OG 3.47Å; V96-I100 HydrophobicContact CG1-CD1 3.65Å; V96-I100 HydrophobicContact CG1-CG1 4.33Å; V96-I100 WeakPolarHBondContact O-CG1 3.4Å; V96-I100 PolarHBondContact O-N 2.9Å; V96-A333 HydrophobicContact CG2-CB 4.21Å; V96-A337 HydrophobicContact CG1-CB 3.63Å; V96-L457 HydrophobicContact CG2-CD2 4.1Å
97T96.5Very high96.1Very high0 Ų09.4 Ų9.40%04%0.042CC..Hα-helixtrans-64.9-36.2178.353.50000113.1A93 L94 S99 I100 M101 L125 L246A93-T97 WeakPolarHBondContact O-CB 3.36Å; A93-T97 VanDerWaalsContact O-CG2 3.28Å; A93-T97 WeakPolarHBondContact O-CG2 3.49Å; A93-T97 PolarHBondContact O-N 3.31Å; A93-T97 PolarHBondContact O-OG1 3.42Å; L94-T97 WeakPolarHBondContact CA-OG1 3.45Å; L94-T97 PolarHBondContact O-OG1 3.47Å; L94-T97 VanDerWaalsContact O-OG1 3.09Å; T97-S99 VanDerWaalsContact C-N 3.32Å; T97-S99 PolarHBondContact O-N 3.38Å; T97-I100 PolarHBondContact O-N 3.37Å; T97-M101 WeakPolarHBondContact O-CB 3.43Å; T97-M101 WeakPolarHBondContact O-CG 2.99Å; T97-M101 PolarHBondContact O-N 3.44Å; T97-L125 HydrophobicContact CG2-CD1 3.78Å; T97-L246 HydrophobicContact CG2-CD1 3.61Å; T97-L246 HydrophobicContact CG2-CG 4.1Å
98W97.3Very high96.2Very high51 Ų519.4 Ų9.419%0.1934%0.043CC..Hα-helixtrans-58.1-43.8171.5172.539.4000112.2V40 A41 L94 F95 V96 E102 R456V40-W98 HydrophobicContact CG1-CB 4.07Å; A41-W98 HydrophobicContact CB-CD2 4.27Å; A41-W98 HydrophobicContact CB-CG 4.24Å; A41-W98 HydrophobicContact CB-CZ2 4.46Å; L94-W98 VanDerWaalsContact O-CB 3.27Å; L94-W98 WeakPolarHBondContact O-CB 3.36Å; L94-W98 PolarHBondContact O-N 3Å; F95-W98 HydrophobicContact CD2-CE3 4.17Å; F95-W98 HydrophobicContact CD2-CZ3 4.35Å; F95-W98 HydrophobicContact CE2-CE3 4.36Å; F95-W98 HydrophobicContact CE2-CZ3 4.18Å; F95-W98 PolarHBondContact O-N 3.45Å; V96-W98 VanDerWaalsContact C-N 3.35Å; V96-W98 PolarHBondContact O-N 3.32Å; W98-E102 PolarHBondContact O-N 3.49Å; W98-E102 VanDerWaalsContact O-N 3.15Å; W98-R456 VanDerWaalsContact CZ3-CD 3.42Å
99S97.6Very high96.1Very high0 Ų015 Ų150%07%0.072CC..Hα-helixtrans-64.3-42175.571.60000112.9F95 V96 T97 E102 F103 P453 L457F95-S99 PolarHBondContact O-N 3.02Å; F95-S99 VanDerWaalsContact O-N 3.13Å; V96-S99 PolarHBondContact O-N 3.34Å; V96-S99 VanDerWaalsContact O-N 3.13Å; V96-S99 PolarHBondContact O-OG 3.47Å; T97-S99 VanDerWaalsContact C-N 3.32Å; T97-S99 PolarHBondContact O-N 3.38Å; S99-E102 PolarHBondContact O-N 3.46Å; S99-F103 WeakPolarHBondContact O-CB 3.38Å; S99-F103 PolarHBondContact O-N 2.99Å; S99-P453 WeakPolarHBondContact O-CB 3.24Å; S99-L457 WeakPolarHBondContact OG-CD1 3.33Å; S99-L457 WeakPolarHBondContact OG-CG 3.23Å
100I97.3Very high96Very high0 Ų019.7 Ų19.70%011%0.106CC..Hα-helixtrans-68.4-41179.9-64.9171000111.3V96 T97 E102 F103 S104 L121 P242 A245 L246V96-I100 HydrophobicContact CG1-CD1 3.65Å; V96-I100 HydrophobicContact CG1-CG1 4.33Å; V96-I100 WeakPolarHBondContact O-CG1 3.4Å; V96-I100 PolarHBondContact O-N 2.9Å; T97-I100 PolarHBondContact O-N 3.37Å; I100-E102 VanDerWaalsContact C-N 3.3Å; I100-E102 PolarHBondContact O-N 3.37Å; I100-F103 PolarHBondContact O-N 3.07Å; I100-S104 PolarHBondContact O-N 3.28Å; I100-S104 PolarHBondContact O-OG 3.35Å; I100-L121 HydrophobicContact CG2-CD1 4.2Å; I100-P242 HydrophobicContact CG2-CB 3.9Å; I100-P242 WeakPolarHBondContact CG2-O 3.47Å; I100-A245 HydrophobicContact CD1-CB 4.01Å; I100-A245 HydrophobicContact CG1-CB 4.24Å; I100-L246 HydrophobicContact CD1-CB 3.65Å; I100-L246 HydrophobicContact CD1-CD1 4.23Å; I100-L246 HydrophobicContact CD1-CG 4Å; I100-L246 HydrophobicContact CG2-CB 4.4Å; I100-L246 HydrophobicContact CG2-CD1 4.3Å
101M96.1Very high95.9Very high0 Ų020.8 Ų20.80%011%0.112CC..Hα-helixtrans-63.2-35.9176.3-71.3-72.9-148.500111.9V36 V40 T97 S104 F118 L121 L122V36-M101 HydrophobicContact CG1-CE 3.43Å; V36-M101 VanDerWaalsContact CG1-CE 3.43Å; V36-M101 HydrophobicContact CG1-SD 4.17Å; V40-M101 HydrophobicContact CG2-CE 4.37Å; T97-M101 WeakPolarHBondContact O-CB 3.43Å; T97-M101 WeakPolarHBondContact O-CG 2.99Å; T97-M101 PolarHBondContact O-N 3.44Å; M101-S104 WeakPolarHBondContact CA-OG 3.4Å; M101-S104 PolarHBondContact O-OG 2.98Å; M101-F118 HydrophobicContact CB-CE1 4.06Å; M101-F118 HydrophobicContact CE-CD1 4.43Å; M101-F118 HydrophobicContact CG-CE1 4.48Å; M101-F118 WeakPolarHBondContact O-CE1 3.3Å; M101-F118 VanDerWaalsContact O-CZ 3.29Å; M101-F118 WeakPolarHBondContact O-CZ 3.21Å; M101-F118 HydrophobicContact SD-CD1 3.41Å; M101-F118 WeakPolarHBondContact SD-CD1 3.2Å; M101-F118 HydrophobicContact SD-CE1 3.66Å; M101-F118 HydrophobicContact SD-CG 4.33Å; M101-L121 HydrophobicContact CE-CB 4.14Å; M101-L121 HydrophobicContact CE-CD2 3.42Å; M101-L121 VanDerWaalsContact CE-CD2 3.42Å; M101-L121 HydrophobicContact CE-CG 4.21Å; M101-L121 HydrophobicContact CG-CD2 4.25Å; M101-L121 HydrophobicContact SD-CB 4.22Å; M101-L121 HydrophobicContact SD-CD1 3.75Å; M101-L121 HydrophobicContact SD-CD2 3.66Å; M101-L121 HydrophobicContact SD-CG 4.06Å; M101-L122 HydrophobicContact CE-CB 4.22Å
102E97.2Very high95.6Very high7 Ų725.9 Ų25.93%0.03315%0.145CC..Hα-helixtrans-71.6-40.7173.9-174.6164-16400112K37 W98 S99 I100 S104 L105 P453 R456K37-E102 HydrophobicContact CD-CB 4.18Å; K37-E102 HydrophobicContact CD-CG 4.32Å; K37-E102 VanDerWaalsContact CE-CD 3.44Å; K37-E102 VanDerWaalsContact CE-OE2 3.28Å; K37-E102 WeakPolarHBondContact CE-OE2 3.37Å; K37-E102 IonicContact NZ-OE1 2.84Å; K37-E102 PolarHBondContact NZ-OE1 3.07Å; K37-E102 IonicContact NZ-OE2 3.26Å; K37-E102 PolarHBondContact NZ-OE2 3.22Å; W98-E102 PolarHBondContact O-N 3.49Å; W98-E102 VanDerWaalsContact O-N 3.15Å; S99-E102 PolarHBondContact O-N 3.46Å; I100-E102 VanDerWaalsContact C-N 3.3Å; I100-E102 PolarHBondContact O-N 3.37Å; E102-S104 VanDerWaalsContact C-N 3.33Å; E102-S104 PolarHBondContact O-N 3.15Å; E102-L105 WeakPolarHBondContact O-CB 3.49Å; E102-L105 PolarHBondContact O-N 3.2Å; E102-P453 HydrophobicContact CB-CB 4.46Å; E102-P453 HydrophobicContact CB-CG 4.4Å; E102-P453 HydrophobicContact CG-CG 4.34Å; E102-R456 IonicContact OE2-CZ 3.11Å; E102-R456 IonicContact OE2-NH1 2.71Å; E102-R456 PolarHBondContact OE2-NH1 3.22Å; E102-R456 IonicContact OE2-NH2 2.86Å; E102-R456 PolarHBondContact OE2-NH2 3.06Å
103F97.2Very high95.4Very high0 Ų029.5 Ų29.50%016%0.164CC..Hα-helixtrans-62.5-38.6175175.2-101.5000112.2S99 I100 L105 W106 Y107 P242 M341 L450 P453S99-F103 WeakPolarHBondContact O-CB 3.38Å; S99-F103 PolarHBondContact O-N 2.99Å; I100-F103 PolarHBondContact O-N 3.07Å; F103-L105 VanDerWaalsContact C-N 3.27Å; F103-L105 PolarHBondContact O-N 3.12Å; 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 3.79Å; F103-W106 HydrophobicContact CE2-CZ3 3.79Å; F103-W106 HydrophobicContact CZ-CE3 4.27Å; F103-W106 HydrophobicContact CZ-CZ3 4.12Å; F103-W106 PolarHBondContact O-N 3.07Å; F103-W106 VanDerWaalsContact O-N 3.09Å; F103-Y107 AromaticContact CE1-CD2 3.97Å; F103-Y107 HydrophobicContact CE1-CD2 3.97Å; F103-Y107 HydrophobicContact CE1-CG 4.02Å; F103-Y107 AromaticContact CZ-CD2 3.76Å; F103-Y107 HydrophobicContact CZ-CD2 3.76Å; F103-Y107 HydrophobicContact CZ-CG 4.22Å; F103-Y107 PolarHBondContact O-N 3.22Å; F103-P242 HydrophobicContact CD1-CB 4.22Å; F103-P242 HydrophobicContact CD1-CG 3.91Å; F103-P242 HydrophobicContact CE1-CG 3.89Å; F103-M341 HydrophobicContact CB-CG 4.46Å; F103-M341 HydrophobicContact CB-SD 3.92Å; F103-M341 HydrophobicContact CD1-CG 4.23Å; F103-M341 HydrophobicContact CD2-CB 4.32Å; F103-M341 HydrophobicContact CD2-CG 4.35Å; F103-M341 HydrophobicContact CE2-CB 4.37Å; F103-M341 HydrophobicContact CG-CG 4.09Å; F103-M341 HydrophobicContact CG-SD 4.17Å; F103-L450 HydrophobicContact CD2-CD1 3.76Å; F103-L450 HydrophobicContact CE2-CD1 3.58Å; F103-P453 HydrophobicContact CB-CG 4.13Å
104S96.3Very high95.2Very high0 Ų030.9 Ų30.90%017%0.171CC..Hα-helixtrans-68.2-22.9179.558.10000113.6I100 M101 E102 W106 M108 F118I100-S104 PolarHBondContact O-N 3.28Å; I100-S104 PolarHBondContact O-OG 3.35Å; M101-S104 WeakPolarHBondContact CA-OG 3.4Å; M101-S104 PolarHBondContact O-OG 2.98Å; E102-S104 VanDerWaalsContact C-N 3.33Å; E102-S104 PolarHBondContact O-N 3.15Å; S104-W106 VanDerWaalsContact C-N 3.25Å; S104-W106 PolarHBondContact O-N 3.13Å; S104-M108 WeakPolarHBondContact O-CB 3.43Å; S104-M108 PolarHBondContact O-N 3.27Å; S104-F118 WeakPolarHBondContact OG-CE2 3.09Å; S104-F118 WeakPolarHBondContact OG-CZ 3.28Å
105L95.8Very high95Very high17 Ų1732.5 Ų32.59%0.08918%0.179CC..Hα-helixtrans-61.5-36.9170.5-67170.8000111.7P33 K37 E102 F103 F118P33-L105 HydrophobicContact CB-CD2 3.3Å; P33-L105 HydrophobicContact CG-CD2 4.48Å; K37-L105 HydrophobicContact CD-CD1 3.99Å; E102-L105 WeakPolarHBondContact O-CB 3.49Å; E102-L105 PolarHBondContact O-N 3.2Å; F103-L105 VanDerWaalsContact C-N 3.27Å; F103-L105 PolarHBondContact O-N 3.12Å; L105-F118 HydrophobicContact CD2-CE1 4.27Å; L105-F118 HydrophobicContact CD2-CE2 4.21Å; L105-F118 HydrophobicContact CD2-CZ 3.6Å; L105-F118 HydrophobicContact CG-CZ 3.84Å
106W95.9Very high94.8Very high24 Ų2434.3 Ų34.39%0.09119%0.188CC..Hα-helixtrans-79.6-50.4176.6174.773.3000111.3F103 S104 M108 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 3.79Å; F103-W106 HydrophobicContact CE2-CZ3 3.79Å; F103-W106 HydrophobicContact CZ-CE3 4.27Å; F103-W106 HydrophobicContact CZ-CZ3 4.12Å; F103-W106 PolarHBondContact O-N 3.07Å; F103-W106 VanDerWaalsContact O-N 3.09Å; S104-W106 VanDerWaalsContact C-N 3.25Å; S104-W106 PolarHBondContact O-N 3.13Å; W106-M108 PolarHBondContact O-N 3Å; W106-H348 HydrophobicContact CH2-CB 3.59Å; W106-H348 AromaticContact CH2-CG 3.7Å; W106-H348 AromaticContact CH2-ND1 3.58Å; W106-H348 HydrophobicContact CZ2-CB 4.39Å; W106-H348 AromaticContact CZ2-ND1 3.47Å; W106-H348 WeakPolarHBondContact CZ2-ND1 3.21Å; W106-H348 HydrophobicContact CZ3-CB 3.98Å; W106-N447 VanDerWaalsContact CD1-ND2 3.35Å; W106-N447 PolarHBondContact NE1-ND2 3.4Å; W106-L450 HydrophobicContact CD2-CB 4.11Å; W106-L450 HydrophobicContact CD2-CD1 4.39Å; W106-L450 HydrophobicContact CD2-CD2 4.44Å; W106-L450 HydrophobicContact CE3-CB 4.44Å; W106-L450 HydrophobicContact CE3-CD1 3.91Å; W106-L450 HydrophobicContact CG-CB 4.19Å; W106-L450 HydrophobicContact CH2-CD1 4.38Å; W106-L450 HydrophobicContact CH2-CD2 4.05Å; W106-L450 HydrophobicContact CZ2-CD2 3.96Å; W106-L450 HydrophobicContact CZ3-CD1 3.91Å; W106-L450 HydrophobicContact CZ3-CD2 4.38Å
107Y95.6Very high94.7Very high14 Ų1434.3 Ų34.36%0.05519%0.188CC..Hα-helixtrans-68.8-36.4-171.6-171-86.8000113.5F103 P240 T241 P242 H348F103-Y107 AromaticContact CE1-CD2 3.97Å; F103-Y107 HydrophobicContact CE1-CD2 3.97Å; F103-Y107 HydrophobicContact CE1-CG 4.02Å; F103-Y107 AromaticContact CZ-CD2 3.76Å; F103-Y107 HydrophobicContact CZ-CD2 3.76Å; F103-Y107 HydrophobicContact CZ-CG 4.22Å; F103-Y107 PolarHBondContact O-N 3.22Å; Y107-P240 HydrophobicContact CE1-CB 4.41Å; Y107-T241 WeakPolarHBondContact CD2-OG1 3.49Å; Y107-T241 HydrophobicContact CE2-CG2 4.12Å; Y107-T241 WeakPolarHBondContact CE2-OG1 3.25Å; Y107-T241 WeakPolarHBondContact OH-CG2 3.26Å; Y107-P242 HydrophobicContact CD1-CG 3.85Å; Y107-P242 HydrophobicContact CG-CG 4.13Å; Y107-H348 HydrophobicContact CD2-CB 4.16Å; Y107-H348 HydrophobicContact CE2-CB 4.01Å
108M94.7Very high94.6Very high3 Ų334.3 Ų34.32%0.01519%0.188CC..THydrogen-bonded Turntrans-10218-176.5-59.1-65.8-74.500112.8S104 W106 S110 D111 I114 F117 P240S104-M108 WeakPolarHBondContact O-CB 3.43Å; S104-M108 PolarHBondContact O-N 3.27Å; W106-M108 PolarHBondContact O-N 3Å; M108-S110 PolarHBondContact O-N 3.02Å; M108-D111 HydrophobicContact CE-CB 4.17Å; M108-D111 WeakPolarHBondContact CE-OD2 3.46Å; M108-D111 PolarHBondContact O-N 3.1Å; M108-I114 HydrophobicContact CB-CD1 4.34Å; M108-I114 HydrophobicContact CB-CG1 4.37Å; M108-F117 HydrophobicContact CE-CD2 4.09Å; M108-F117 HydrophobicContact CE-CE2 4.29Å; M108-F117 HydrophobicContact CE-CG 4.39Å; M108-F117 HydrophobicContact CG-CD1 4.36Å; M108-F117 HydrophobicContact CG-CE1 4.22Å; M108-F117 HydrophobicContact CG-CZ 4.46Å; M108-P240 HydrophobicContact SD-CB 4.16Å
109N92.1Very high94.4Very high130 Ų13034.8 Ų34.870%0.69519%0.192SC*.THydrogen-bonded Turntrans-62.9-28.4-174.7-168.530.2000113.1D111N109-D111 VanDerWaalsContact C-N 3.33Å
110S91.5Very high94.3Very high100 Ų10037 Ų3770%0.69920%0.2SC*.THydrogen-bonded Turntrans-76.3-18.317756.50000113.9M108M108-S110 PolarHBondContact O-N 3.02Å
111D92.9Very high94.2Very high34 Ų3437 Ų3718%0.18220%0.201CC..  trans-83124.8-172.3-91.114.1000111M108 N109 N113 I114 W157M108-D111 HydrophobicContact CE-CB 4.17Å; M108-D111 WeakPolarHBondContact CE-OD2 3.46Å; M108-D111 PolarHBondContact O-N 3.1Å; N109-D111 VanDerWaalsContact C-N 3.33Å; D111-N113 PolarHBondContact O-N 3.1Å; D111-I114 PolarHBondContact O-N 3.25Å; D111-W157 PolarHBondContact OD2-NE1 3.04Å
112P90.8Very high94.2Very high119 Ų11937 Ų3777%0.77320%0.201SC*.THydrogen-bonded Turntrans-66.2-24.3-178.126.4-34.7000113
113N92.3Very high94.1Very high86 Ų8638.6 Ų38.646%0.4621%0.209SC..THydrogen-bonded Turntrans-98.426.9-176.4-65.7-22.9000113.2D111 N115 Q116 F117 W157D111-N113 PolarHBondContact O-N 3.1Å; N113-N115 PolarHBondContact O-N 3.17Å; N113-N115 VanDerWaalsContact O-N 3.14Å; N113-Q116 WeakPolarHBondContact O-CB 3.4Å; N113-Q116 PolarHBondContact O-N 3.2Å; N113-F117 PolarHBondContact O-N 3.37Å; N113-W157 HydrophobicContact CB-CH2 4.14Å; N113-W157 HydrophobicContact CB-CZ2 4.03Å; N113-W157 WeakPolarHBondContact O-CH2 3.34Å
114I92.3Very high94.1Very high29 Ų2938.6 Ų38.615%0.14921%0.209CC..Hα-helixtrans-53.3-36.3-179.9-167.3170.9000113P33 M108 D111 Q116 F117 F118P33-I114 HydrophobicContact CG-CD1 4.42Å; P33-I114 HydrophobicContact CG-CG1 4.29Å; P33-I114 HydrophobicContact CG-CG2 4.2Å; M108-I114 HydrophobicContact CB-CD1 4.34Å; M108-I114 HydrophobicContact CB-CG1 4.37Å; D111-I114 PolarHBondContact O-N 3.25Å; I114-Q116 VanDerWaalsContact C-N 3.34Å; I114-Q116 PolarHBondContact O-N 3.12Å; I114-F117 WeakPolarHBondContact O-CB 3.42Å; I114-F117 PolarHBondContact O-N 2.91Å; I114-F118 HydrophobicContact CD1-CE2 3.93Å; I114-F118 HydrophobicContact CG1-CD2 3.76Å; I114-F118 HydrophobicContact CG1-CE2 3.63Å; I114-F118 WeakPolarHBondContact O-CD2 3.16Å; I114-F118 PolarHBondContact O-N 3.49Å
115N92Very high94Very high35 Ų3538.6 Ų38.619%0.18721%0.209CC..Hα-helixtrans-64.2-38.5179.3-66.5-18000112.6K29 Y32 P33 N113 F117 K119K29-N115 PolarHBondContact O-ND2 3.28Å; Y32-N115 HydrophobicContact CD1-CB 3.92Å; Y32-N115 WeakPolarHBondContact CE1-O 3.42Å; P33-N115 WeakPolarHBondContact CD-OD1 3.36Å; P33-N115 VanDerWaalsContact CG-OD1 3.26Å; P33-N115 WeakPolarHBondContact CG-OD1 3.41Å; N113-N115 PolarHBondContact O-N 3.17Å; N113-N115 VanDerWaalsContact O-N 3.14Å; N115-F117 VanDerWaalsContact C-N 3.35Å; N115-K119 WeakPolarHBondContact O-CB 3.49Å; N115-K119 PolarHBondContact O-N 3.42Å
116Q92.4Very high94Very high71 Ų7139.2 Ų39.233%0.33221%0.212SC..Hα-helixtrans-68.3-37.7176-178.8179.32.800111N113 I114 K119 Y120 W157N113-Q116 WeakPolarHBondContact O-CB 3.4Å; N113-Q116 PolarHBondContact O-N 3.2Å; I114-Q116 VanDerWaalsContact C-N 3.34Å; I114-Q116 PolarHBondContact O-N 3.12Å; Q116-K119 WeakPolarHBondContact O-CB 3.1Å; Q116-K119 PolarHBondContact O-N 2.88Å; Q116-Y120 HydrophobicContact CG-CD2 4.34Å; Q116-Y120 HydrophobicContact CG-CE1 4.22Å; Q116-Y120 HydrophobicContact CG-CE2 3.86Å; Q116-Y120 PolarHBondContact NE2-OH 3.42Å; Q116-Y120 PolarHBondContact O-N 3.31Å; Q116-W157 HydrophobicContact CB-CH2 4.1Å; Q116-W157 HydrophobicContact CG-CH2 4.19Å; Q116-W157 HydrophobicContact CG-CZ3 4.21Å
117F94.7Very high94Very high0 Ų039 Ų390%021%0.213CC..Hα-helixtrans-59.7-50.2175-177.7-96.8000111.8M108 N113 I114 N115 K119 Y120 L121 L154 W157 P240 P242 V243M108-F117 HydrophobicContact CE-CD2 4.09Å; M108-F117 HydrophobicContact CE-CE2 4.29Å; M108-F117 HydrophobicContact CE-CG 4.39Å; M108-F117 HydrophobicContact CG-CD1 4.36Å; M108-F117 HydrophobicContact CG-CE1 4.22Å; M108-F117 HydrophobicContact CG-CZ 4.46Å; N113-F117 PolarHBondContact O-N 3.37Å; I114-F117 WeakPolarHBondContact O-CB 3.42Å; I114-F117 PolarHBondContact O-N 2.91Å; N115-F117 VanDerWaalsContact C-N 3.35Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 3.4Å; F117-Y120 PolarHBondContact O-N 2.8Å; F117-L121 HydrophobicContact CE1-CD1 4Å; F117-L121 HydrophobicContact CZ-CD1 4.44Å; F117-L121 WeakPolarHBondContact O-CB 3.28Å; F117-L121 PolarHBondContact O-N 2.95Å; F117-L154 HydrophobicContact CD2-CD2 4.36Å; F117-L154 HydrophobicContact CE2-CD2 4.24Å; F117-W157 HydrophobicContact CB-CH2 3.63Å; F117-W157 HydrophobicContact CB-CZ2 3.81Å; F117-W157 HydrophobicContact CB-CZ3 4.11Å; F117-W157 HydrophobicContact CD2-CD2 4.05Å; F117-W157 HydrophobicContact CD2-CE3 4.14Å; F117-W157 HydrophobicContact CD2-CH2 4.4Å; F117-W157 HydrophobicContact CD2-CZ2 4.3Å; F117-W157 HydrophobicContact CD2-CZ3 4.31Å; F117-P240 HydrophobicContact CE2-CG 3.83Å; F117-P240 HydrophobicContact CZ-CG 4.45Å; F117-P242 HydrophobicContact CE1-CB 4.44Å; F117-P242 HydrophobicContact CZ-CB 4.16Å; F117-P242 HydrophobicContact CZ-CG 4.44Å; F117-V243 HydrophobicContact CE2-CG2 3.49Å; F117-V243 VanDerWaalsContact CE2-CG2 3.49Å; F117-V243 HydrophobicContact CZ-CG2 3.68Å
118F94.3Very high94.1Very high0 Ų038.3 Ų38.30%021%0.211CC..Hα-helixtrans-63.7-34.2177.3-85.9-101.9000112.6Y32 P33 V36 M101 S104 L105 I114 L122Y32-F118 HydrophobicContact CD1-CB 4.4Å; Y32-F118 HydrophobicContact CE1-CB 4Å; P33-F118 HydrophobicContact CB-CD1 4.12Å; P33-F118 HydrophobicContact CB-CD2 3.89Å; P33-F118 HydrophobicContact CB-CE1 4.01Å; P33-F118 HydrophobicContact CB-CE2 3.78Å; P33-F118 HydrophobicContact CB-CG 4.06Å; P33-F118 HydrophobicContact CB-CZ 3.82Å; P33-F118 HydrophobicContact CG-CD2 4.23Å; P33-F118 HydrophobicContact CG-CE2 4.4Å; V36-F118 HydrophobicContact CB-CD1 4.19Å; V36-F118 HydrophobicContact CG1-CD1 4.12Å; M101-F118 HydrophobicContact CB-CE1 4.06Å; M101-F118 HydrophobicContact CE-CD1 4.43Å; M101-F118 HydrophobicContact CG-CE1 4.48Å; M101-F118 WeakPolarHBondContact O-CE1 3.3Å; M101-F118 VanDerWaalsContact O-CZ 3.29Å; M101-F118 WeakPolarHBondContact O-CZ 3.21Å; M101-F118 HydrophobicContact SD-CD1 3.41Å; M101-F118 WeakPolarHBondContact SD-CD1 3.2Å; M101-F118 HydrophobicContact SD-CE1 3.66Å; M101-F118 HydrophobicContact SD-CG 4.33Å; S104-F118 WeakPolarHBondContact OG-CE2 3.09Å; S104-F118 WeakPolarHBondContact OG-CZ 3.28Å; L105-F118 HydrophobicContact CD2-CE1 4.27Å; L105-F118 HydrophobicContact CD2-CE2 4.21Å; L105-F118 HydrophobicContact CD2-CZ 3.6Å; L105-F118 HydrophobicContact CG-CZ 3.84Å; I114-F118 HydrophobicContact CD1-CE2 3.93Å; I114-F118 HydrophobicContact CG1-CD2 3.76Å; I114-F118 HydrophobicContact CG1-CE2 3.63Å; I114-F118 WeakPolarHBondContact O-CD2 3.16Å; I114-F118 PolarHBondContact O-N 3.49Å; F118-L122 VanDerWaalsContact O-CB 3.32Å; F118-L122 WeakPolarHBondContact O-CB 3.32Å; F118-L122 PolarHBondContact O-N 3.2Å
119K94Very high94.1Very high62 Ų6238.3 Ų38.327%0.2721%0.211SC..Hα-helixtrans-62.9-47.7173.2-175.7-178.668.7177.10111.5T22 Y32 N115 Q116 F117 L122 I123T22-K119 HydrophobicContact CG2-CD 4.21Å; T22-K119 WeakPolarHBondContact OG1-CD 3.37Å; Y32-K119 HydrophobicContact CE1-CB 4.49Å; N115-K119 WeakPolarHBondContact O-CB 3.49Å; N115-K119 PolarHBondContact O-N 3.42Å; Q116-K119 WeakPolarHBondContact O-CB 3.1Å; Q116-K119 PolarHBondContact O-N 2.88Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 3.4Å; K119-L122 PolarHBondContact O-N 2.71Å; K119-I123 HydrophobicContact CG-CD1 3.97Å; K119-I123 VanDerWaalsContact O-CG1 3.31Å; K119-I123 WeakPolarHBondContact O-CG1 3.22Å; K119-I123 PolarHBondContact O-N 3.37Å
120Y95.6Very high94.3Very high45 Ų4534.4 Ų34.418%0.17619%0.189CC..Hα-helixtrans-64.6-40.6178-68.3-15.2000112.4Q116 F117 L122 I123 F124 L153 L154 W157Q116-Y120 HydrophobicContact CG-CD2 4.34Å; Q116-Y120 HydrophobicContact CG-CE1 4.22Å; Q116-Y120 HydrophobicContact CG-CE2 3.86Å; Q116-Y120 PolarHBondContact NE2-OH 3.42Å; Q116-Y120 PolarHBondContact O-N 3.31Å; F117-Y120 PolarHBondContact O-N 2.8Å; Y120-L122 VanDerWaalsContact C-N 3.32Å; Y120-L122 PolarHBondContact O-N 3.41Å; Y120-I123 PolarHBondContact O-N 2.91Å; Y120-F124 VanDerWaalsContact O-CB 3.28Å; Y120-F124 WeakPolarHBondContact O-CB 3.29Å; Y120-F124 PolarHBondContact O-N 3.49Å; Y120-L153 HydrophobicContact CD2-CB 4.49Å; Y120-L153 HydrophobicContact CE2-CB 4.42Å; Y120-L154 HydrophobicContact CD2-CD2 4.38Å; Y120-W157 HydrophobicContact CD2-CE3 4.3Å; Y120-W157 AromaticContact CD2-CZ3 3.84Å; Y120-W157 HydrophobicContact CD2-CZ3 3.84Å; Y120-W157 AromaticContact CE2-CZ3 3.98Å; Y120-W157 HydrophobicContact CE2-CZ3 3.98Å
121L95.1Very high94.5Very high2 Ų229.7 Ų29.71%0.0116%0.156CC..Hα-helixtrans-62.9-40.1175.8-158.5168.7000111.2I100 M101 F117 F124 L125 L246I100-L121 HydrophobicContact CG2-CD1 4.2Å; M101-L121 HydrophobicContact CE-CB 4.14Å; M101-L121 HydrophobicContact CE-CD2 3.42Å; M101-L121 VanDerWaalsContact CE-CD2 3.42Å; M101-L121 HydrophobicContact CE-CG 4.21Å; M101-L121 HydrophobicContact CG-CD2 4.25Å; M101-L121 HydrophobicContact SD-CB 4.22Å; M101-L121 HydrophobicContact SD-CD1 3.75Å; M101-L121 HydrophobicContact SD-CD2 3.66Å; M101-L121 HydrophobicContact SD-CG 4.06Å; F117-L121 HydrophobicContact CE1-CD1 4Å; F117-L121 HydrophobicContact CZ-CD1 4.44Å; F117-L121 WeakPolarHBondContact O-CB 3.28Å; F117-L121 PolarHBondContact O-N 2.95Å; L121-F124 WeakPolarHBondContact O-CB 3.28Å; L121-F124 PolarHBondContact O-N 2.94Å; L121-L125 PolarHBondContact O-N 3.28Å; L121-L246 HydrophobicContact CD1-CD1 4.13Å; L121-L246 HydrophobicContact CD2-CD1 3.15Å; L121-L246 HydrophobicContact CG-CD1 3.69Å
122L95.3Very high94.6Very high0 Ų028 Ų280%015%0.147CC..Hα-helixtrans-68.1-43.9176.1-176.665.4000112.7L15 P18 I19 V36 V40 M101 F118 K119 Y120 F124 L125 I126L15-L122 HydrophobicContact CB-CD1 4.42Å; L15-L122 HydrophobicContact CD2-CD1 3.96Å; P18-L122 HydrophobicContact CB-CD2 3.51Å; P18-L122 HydrophobicContact CG-CD2 3.7Å; I19-L122 HydrophobicContact CD1-CD2 4.33Å; I19-L122 HydrophobicContact CD1-CG 4.37Å; I19-L122 HydrophobicContact CG1-CD2 3.79Å; I19-L122 HydrophobicContact CG1-CG 4.33Å; V36-L122 HydrophobicContact CG1-CB 4.44Å; V36-L122 HydrophobicContact CG1-CD1 4.49Å; V36-L122 HydrophobicContact CG1-CD2 4.36Å; V40-L122 HydrophobicContact CG2-CD1 4.2Å; M101-L122 HydrophobicContact CE-CB 4.22Å; F118-L122 VanDerWaalsContact O-CB 3.32Å; F118-L122 WeakPolarHBondContact O-CB 3.32Å; F118-L122 PolarHBondContact O-N 3.2Å; K119-L122 PolarHBondContact O-N 2.71Å; Y120-L122 VanDerWaalsContact C-N 3.32Å; Y120-L122 PolarHBondContact O-N 3.41Å; L122-F124 VanDerWaalsContact C-N 3.26Å; L122-F124 PolarHBondContact O-N 3.43Å; L122-L125 HydrophobicContact CD1-CD2 4.35Å; L122-L125 WeakPolarHBondContact O-CB 3.4Å; L122-L125 PolarHBondContact O-N 2.94Å; L122-L125 VanDerWaalsContact O-N 3.15Å; L122-I126 HydrophobicContact CG-CD1 4.42Å; L122-I126 WeakPolarHBondContact O-CG1 3.01Å; L122-I126 PolarHBondContact O-N 3.34Å
123I95.9Very high94.8Very high39 Ų3922.4 Ų22.420%0.211%0.111CC..Hα-helixtrans-60.6-41.5175.7-66163.8000110I19 K119 Y120 L125 I126 T127 M150I19-I123 HydrophobicContact CD1-CG1 3.71Å; I19-I123 HydrophobicContact CG1-CG1 4.28Å; K119-I123 HydrophobicContact CG-CD1 3.97Å; K119-I123 VanDerWaalsContact O-CG1 3.31Å; K119-I123 WeakPolarHBondContact O-CG1 3.22Å; K119-I123 PolarHBondContact O-N 3.37Å; Y120-I123 PolarHBondContact O-N 2.91Å; I123-L125 VanDerWaalsContact C-N 3.34Å; I123-L125 PolarHBondContact O-N 3.07Å; I123-I126 PolarHBondContact O-N 2.84Å; I123-T127 HydrophobicContact CG2-CG2 4.4Å; I123-T127 WeakPolarHBondContact O-CG2 3.39Å; I123-T127 PolarHBondContact O-N 3.32Å; I123-T127 PolarHBondContact O-OG1 3.5Å; I123-M150 HydrophobicContact CB-SD 4Å; I123-M150 HydrophobicContact CG2-CE 3.61Å; I123-M150 HydrophobicContact CG2-CG 3.91Å; I123-M150 HydrophobicContact CG2-SD 3.58Å; I123-M150 VanDerWaalsContact CG2-SD 3.58Å
124F96.2Very high95Very high0 Ų018.6 Ų18.60%09%0.091CC..Hα-helixtrans-58.8-43.6174.4179.9-78.3000112.2Y120 L121 L122 I126 T127 M128 V147 M150 L154 L246 L247 T251 M252Y120-F124 VanDerWaalsContact O-CB 3.28Å; Y120-F124 WeakPolarHBondContact O-CB 3.29Å; Y120-F124 PolarHBondContact O-N 3.49Å; L121-F124 WeakPolarHBondContact O-CB 3.28Å; L121-F124 PolarHBondContact O-N 2.94Å; L122-F124 VanDerWaalsContact C-N 3.26Å; L122-F124 PolarHBondContact O-N 3.43Å; F124-I126 VanDerWaalsContact C-N 3.35Å; F124-I126 PolarHBondContact O-N 3.28Å; F124-T127 PolarHBondContact O-N 2.98Å; F124-T127 PolarHBondContact O-OG1 2.99Å; F124-M128 PolarHBondContact O-N 3.49Å; F124-V147 HydrophobicContact CE2-CB 4.31Å; F124-V147 HydrophobicContact CE2-CG1 3.64Å; F124-V147 HydrophobicContact CZ-CG1 3.82Å; F124-M150 HydrophobicContact CB-CB 3.94Å; F124-M150 HydrophobicContact CB-CG 4.4Å; F124-M150 HydrophobicContact CD2-CB 3.68Å; F124-M150 HydrophobicContact CG-CB 4.3Å; F124-L154 HydrophobicContact CB-CD1 4.28Å; F124-L154 HydrophobicContact CD2-CD1 4.37Å; F124-L154 HydrophobicContact CG-CD1 4.41Å; F124-L246 HydrophobicContact CD1-CD2 3.18Å; F124-L246 HydrophobicContact CE1-CD2 3.02Å; F124-L246 HydrophobicContact CG-CD2 4.26Å; F124-L246 HydrophobicContact CZ-CD2 3.97Å; F124-L247 HydrophobicContact CD2-CD2 3.87Å; F124-L247 HydrophobicContact CE1-CD2 4.17Å; F124-L247 HydrophobicContact CE2-CD2 3.13Å; F124-L247 HydrophobicContact CZ-CD2 3.34Å; F124-T251 HydrophobicContact CE1-CG2 3.78Å; F124-T251 WeakPolarHBondContact CE1-OG1 3.39Å; F124-T251 WeakPolarHBondContact CZ-OG1 3.42Å; F124-M252 HydrophobicContact CE2-CB 4.42Å; F124-M252 HydrophobicContact CZ-CB 4.1Å
125L95.6Very high95.1Very high0 Ų017.6 Ų17.60%09%0.086CC..Hα-helixtrans-61.8-43175.6172.364.2000111.4L15 V40 L94 T97 L121 L122 I123 M128 L129L15-L125 HydrophobicContact CD1-CD2 4.13Å; L15-L125 HydrophobicContact CD1-CG 4.29Å; L15-L125 HydrophobicContact CD2-CD2 4.1Å; V40-L125 HydrophobicContact CG1-CD2 4.32Å; V40-L125 HydrophobicContact CG2-CD2 4.16Å; L94-L125 HydrophobicContact CD2-CD1 4.18Å; L94-L125 HydrophobicContact CD2-CD2 3.86Å; L94-L125 HydrophobicContact CD2-CG 4.44Å; T97-L125 HydrophobicContact CG2-CD1 3.78Å; L121-L125 PolarHBondContact O-N 3.28Å; L122-L125 HydrophobicContact CD1-CD2 4.35Å; L122-L125 WeakPolarHBondContact O-CB 3.4Å; L122-L125 PolarHBondContact O-N 2.94Å; L122-L125 VanDerWaalsContact O-N 3.15Å; I123-L125 VanDerWaalsContact C-N 3.34Å; I123-L125 PolarHBondContact O-N 3.07Å; L125-M128 PolarHBondContact O-N 3.3Å; L125-L129 HydrophobicContact CD1-CD1 4.05Å; L125-L129 HydrophobicContact CD1-CG 4.18Å; L125-L129 HydrophobicContact CG-CD1 4.07Å; L125-L129 WeakPolarHBondContact O-CG 3.42Å; L125-L129 PolarHBondContact O-N 2.92Å
126I95.9Very high95.1Very high31 Ų3116.1 Ų16.116%0.1598%0.078CC..Hα-helixtrans-64.2-45.8179-67.1173.8000111.2L15 I19 L122 I123 F124 M128 L129 I130L15-I126 HydrophobicContact CB-CD1 3.96Å; L15-I126 HydrophobicContact CB-CG1 3.84Å; L15-I126 HydrophobicContact CD1-CG1 4.2Å; I19-I126 HydrophobicContact CD1-CD1 3.26Å; I19-I126 HydrophobicContact CG1-CD1 4.47Å; L122-I126 HydrophobicContact CG-CD1 4.42Å; L122-I126 WeakPolarHBondContact O-CG1 3.01Å; L122-I126 PolarHBondContact O-N 3.34Å; I123-I126 PolarHBondContact O-N 2.84Å; F124-I126 VanDerWaalsContact C-N 3.35Å; F124-I126 PolarHBondContact O-N 3.28Å; I126-M128 VanDerWaalsContact C-N 3.27Å; I126-M128 PolarHBondContact O-N 2.62Å; I126-L129 PolarHBondContact O-N 3.02Å; I126-I130 HydrophobicContact CG2-CD1 3.81Å; I126-I130 HydrophobicContact CG2-CG1 4.38Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.17Å; I126-I130 PolarHBondContact O-N 3.4Å
127T96.1Very high95.2Very high19 Ų1912.9 Ų12.912%0.1176%0.063CC..Hα-helixtrans-63.4-35.7178.555.70000111.8I123 F124 I130 L131 G143I123-T127 HydrophobicContact CG2-CG2 4.4Å; I123-T127 WeakPolarHBondContact O-CG2 3.39Å; I123-T127 PolarHBondContact O-N 3.32Å; I123-T127 PolarHBondContact O-OG1 3.5Å; F124-T127 PolarHBondContact O-N 2.98Å; F124-T127 PolarHBondContact O-OG1 2.99Å; T127-I130 PolarHBondContact O-N 3.1Å; T127-L131 PolarHBondContact O-N 2.73Å; T127-G143 WeakPolarHBondContact O-CA 3.49Å
128M95.7Very high95.2Very high0 Ų015.8 Ų15.80%08%0.076CC..Hα-helixtrans-67.1-41.5173.6-172.960.5-164.900112.6F89 F124 L125 I126 I130 L131 V132 V147 T251 A255F89-M128 HydrophobicContact CE1-CE 3.72Å; F89-M128 HydrophobicContact CE1-CG 4.32Å; F89-M128 HydrophobicContact CZ-CE 3.5Å; F89-M128 VanDerWaalsContact CZ-CE 3.5Å; F124-M128 PolarHBondContact O-N 3.49Å; L125-M128 PolarHBondContact O-N 3.3Å; I126-M128 VanDerWaalsContact C-N 3.27Å; I126-M128 PolarHBondContact O-N 2.62Å; M128-I130 VanDerWaalsContact C-N 3.34Å; M128-L131 WeakPolarHBondContact O-CB 3.35Å; M128-L131 PolarHBondContact O-N 3.08Å; M128-L131 HydrophobicContact SD-CD1 4.47Å; M128-V132 HydrophobicContact CE-CG2 3.57Å; M128-V132 VanDerWaalsContact O-CG2 3.31Å; M128-V132 WeakPolarHBondContact O-CG2 3.49Å; M128-V132 PolarHBondContact O-N 3.3Å; M128-V147 HydrophobicContact CB-CG2 4.12Å; M128-V147 HydrophobicContact SD-CG2 4.21Å; M128-T251 HydrophobicContact CB-CG2 4.4Å; M128-T251 WeakPolarHBondContact CE-O 3.37Å; M128-T251 HydrophobicContact CG-CG2 3.84Å; M128-A255 HydrophobicContact CE-CB 4.47Å
129L95.4Very high95.3Very high3 Ų316.4 Ų16.42%0.0168%0.079CC..Hα-helixtrans-66.2-37.3176.1-69.9170.8000111.8L12 L15 I90 L94 L125 I126 L131 V132 T133L12-L129 HydrophobicContact CD2-CB 4.03Å; L15-L129 HydrophobicContact CD1-CD1 3.24Å; I90-L129 HydrophobicContact CB-CD2 4.26Å; I90-L129 HydrophobicContact CG1-CD2 3.9Å; I90-L129 HydrophobicContact CG2-CD2 4.02Å; L94-L129 HydrophobicContact CD2-CD1 4.24Å; L125-L129 HydrophobicContact CD1-CD1 4.05Å; L125-L129 HydrophobicContact CD1-CG 4.18Å; L125-L129 HydrophobicContact CG-CD1 4.07Å; L125-L129 WeakPolarHBondContact O-CG 3.42Å; L125-L129 PolarHBondContact O-N 2.92Å; I126-L129 PolarHBondContact O-N 3.02Å; L129-L131 VanDerWaalsContact C-N 3.34Å; L129-V132 PolarHBondContact O-N 3.47Å; L129-T133 WeakPolarHBondContact O-CB 3.44Å; L129-T133 WeakPolarHBondContact O-CG2 3.26Å; L129-T133 PolarHBondContact O-N 3.02Å; L129-T133 PolarHBondContact O-OG1 3.44Å
130I95.8Very high95.4Very high47 Ų4713.9 Ų13.924%0.2417%0.068CC..Hα-helixtrans-60.4-44.6172.1-68.7166.6000110.4I126 T127 M128 V132 A134 Q139I126-I130 HydrophobicContact CG2-CD1 3.81Å; I126-I130 HydrophobicContact CG2-CG1 4.38Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.17Å; I126-I130 PolarHBondContact O-N 3.4Å; T127-I130 PolarHBondContact O-N 3.1Å; M128-I130 VanDerWaalsContact C-N 3.34Å; I130-V132 PolarHBondContact O-N 3.19Å; I130-A134 WeakPolarHBondContact O-CB 3.38Å; I130-A134 PolarHBondContact O-N 3.2Å; I130-Q139 HydrophobicContact CG2-CG 3.91Å
131L96.1Very high95.5Very high1 Ų113.5 Ų13.51%0.0057%0.068CC..Hα-helixtrans-59.4-46.9178.2-171.6160000111.7T127 M128 L129 L140 W144 A255 F258T127-L131 PolarHBondContact O-N 2.73Å; M128-L131 WeakPolarHBondContact O-CB 3.35Å; M128-L131 PolarHBondContact O-N 3.08Å; M128-L131 HydrophobicContact SD-CD1 4.47Å; L129-L131 VanDerWaalsContact C-N 3.34Å; L131-L140 HydrophobicContact CG-CD2 4.2Å; L131-L140 HydrophobicContact CG-CG 4.48Å; L131-W144 HydrophobicContact CD1-CB 4.28Å; L131-W144 HydrophobicContact CD1-CE3 4.28Å; L131-A255 HydrophobicContact CD1-CB 3.78Å; L131-A255 HydrophobicContact CD2-CB 4.29Å; L131-F258 HydrophobicContact CD2-CD1 3.84Å; L131-F258 HydrophobicContact CD2-CE1 4.2Å
132V95.9Very high95.6Very high0 Ų017.4 Ų17.40%09%0.088CC..Hα-helixtrans-71.2-35.1-174.4170.10000112.7F89 M128 L129 I130 F258 R262F89-V132 HydrophobicContact CB-CG1 4.09Å; F89-V132 HydrophobicContact CD1-CB 4.14Å; F89-V132 HydrophobicContact CD1-CG1 3.71Å; F89-V132 HydrophobicContact CD1-CG2 3.51Å; F89-V132 HydrophobicContact CE1-CB 4.47Å; F89-V132 HydrophobicContact CE1-CG1 4.49Å; F89-V132 HydrophobicContact CE1-CG2 3.45Å; F89-V132 VanDerWaalsContact CE1-CG2 3.45Å; F89-V132 HydrophobicContact CG-CG1 4.19Å; F89-V132 HydrophobicContact CG-CG2 4.37Å; F89-V132 HydrophobicContact CZ-CG2 4.25Å; M128-V132 HydrophobicContact CE-CG2 3.57Å; M128-V132 VanDerWaalsContact O-CG2 3.31Å; M128-V132 WeakPolarHBondContact O-CG2 3.49Å; M128-V132 PolarHBondContact O-N 3.3Å; L129-V132 PolarHBondContact O-N 3.47Å; I130-V132 PolarHBondContact O-N 3.19Å; V132-F258 HydrophobicContact CB-CE1 4.31Å; V132-F258 HydrophobicContact CB-CZ 4.02Å; V132-F258 HydrophobicContact CG1-CE1 4.45Å; V132-F258 HydrophobicContact CG1-CE2 4.09Å; V132-F258 HydrophobicContact CG1-CZ 3.68Å; V132-F258 HydrophobicContact CG2-CE1 4.27Å; V132-F258 HydrophobicContact CG2-CE2 4.5Å; V132-F258 HydrophobicContact CG2-CZ 4.15Å; V132-F258 WeakPolarHBondContact O-CZ 3.37Å; V132-R262 PolarHBondContact O-NH2 3.49Å
133T95.2Very high95.6Very high0 Ų017.4 Ų17.40%09%0.088CC..Hα-helixtrans-90.7-7-178.8560000113.1F80 K81 I90 L129 N135F80-T133 CarbonylContact C-O 3.49Å; F80-T133 WeakPolarHBondContact CA-O 3.41Å; F80-T133 VanDerWaalsContact CD1-OG1 3.31Å; F80-T133 WeakPolarHBondContact CD1-OG1 3.34Å; K81-T133 PolarHBondContact N-O 3.37Å; I90-T133 HydrophobicContact CD1-CG2 3.62Å; I90-T133 HydrophobicContact CG1-CG2 4.32Å; L129-T133 WeakPolarHBondContact O-CB 3.44Å; L129-T133 WeakPolarHBondContact O-CG2 3.26Å; L129-T133 PolarHBondContact O-N 3.02Å; L129-T133 PolarHBondContact O-OG1 3.44Å; T133-N135 PolarHBondContact O-N 3.33Å
134A95.3Very high95.6Very high7 Ų715.7 Ų15.76%0.0588%0.079CC..BIsolated β-bridgetrans-60.7126-178.200000111.5I130 Q139 L140I130-A134 WeakPolarHBondContact O-CB 3.38Å; I130-A134 PolarHBondContact O-N 3.2Å; A134-Q139 HydrophobicContact CB-CB 3.98Å; A134-Q139 HydrophobicContact CB-CG 3.81Å; A134-L140 HydrophobicContact CB-CB 3.83Å; A134-L140 HydrophobicContact CB-CG 4.45Å
135N93.9Very high95.7Very high8 Ų816.5 Ų16.54%0.0438%0.083CC..  trans-83-49.2164.5-171.459.6000110.3S79 K81 T133 P198 Q199S79-N135 WeakPolarHBondContact O-CB 3.15Å; S79-N135 PolarHBondContact O-N 3.46Å; S79-N135 WeakPolarHBondContact OG-CB 3.28Å; K81-N135 HydrophobicContact CB-CB 3.93Å; T133-N135 PolarHBondContact O-N 3.33Å; N135-P198 WeakPolarHBondContact O-CD 3.37Å; N135-P198 WeakPolarHBondContact O-CG 3.41Å; N135-Q199 PolarHBondContact OD1-NE2 2.96Å; N135-Q199 PolarHBondContact OD1-OE1 3.4Å; N135-Q199 VanDerWaalsContact OD1-OE1 3.07Å
136N93.8Very high95.7Very high4 Ų417.1 Ų17.12%0.0219%0.089CC..SBendtrans-82.4138.4-174.9-59.74.2000110.8S77 S79 F138 Q139 L140 D197S77-N136 PolarHBondContact O-ND2 3.44Å; S79-N136 PolarHBondContact OG-ND2 3.14Å; S79-N136 VanDerWaalsContact OG-ND2 3.1Å; S79-N136 PolarHBondContact OG-OD1 3.06Å; N136-F138 PolarHBondContact O-N 2.81Å; N136-Q139 HydrophobicContact CB-CB 4.46Å; N136-Q139 WeakPolarHBondContact O-CB 3.22Å; N136-Q139 PolarHBondContact O-N 3.02Å; N136-L140 PolarHBondContact O-N 3.4Å; N136-D197 PolarHBondContact OD1-OD1 3.03Å
137L93.8Very high95.7Very high3 Ų315.7 Ų15.72%0.0168%0.081CC..Hα-helixtrans-57-32.9177.8-86171.3000113.7L140 F141 F182 L186 F189 W196 F263L137-L140 HydrophobicContact CD2-CD1 4.46Å; L137-L140 WeakPolarHBondContact O-CB 3.38Å; L137-L140 PolarHBondContact O-N 3.07Å; L137-F141 PolarHBondContact O-N 3.2Å; L137-F182 HydrophobicContact CD2-CE1 4.43Å; L137-F182 HydrophobicContact CD2-CZ 3.92Å; L137-L186 HydrophobicContact CB-CD2 3.54Å; L137-L186 HydrophobicContact CD1-CD2 4.32Å; L137-L186 HydrophobicContact CG-CD2 4.47Å; L137-F189 HydrophobicContact CD1-CD2 3.36Å; L137-F189 HydrophobicContact CD1-CE2 3.83Å; L137-F189 HydrophobicContact CD1-CG 4.27Å; L137-W196 HydrophobicContact CB-CB 4.15Å; L137-W196 WeakPolarHBondContact CB-O 3.49Å; L137-W196 WeakPolarHBondContact CG-O 3.49Å; L137-W196 PolarHBondContact N-O 3.49Å; L137-F263 HydrophobicContact CD1-CZ 4Å; L137-F263 HydrophobicContact CD2-CE1 4.48Å; L137-F263 HydrophobicContact CD2-CE2 3.55Å; L137-F263 HydrophobicContact CD2-CZ 3.28Å; L137-F263 HydrophobicContact CG-CZ 3.79Å
138F94.9Very high95.7Very high60 Ų6014.8 Ų14.826%0.2638%0.076SC..Hα-helixtrans-66.6-41.7175.1-179-98.3000112.5W68 N136 L140 F141 I142 W196W68-F138 HydrophobicContact CE3-CD1 4.43Å; W68-F138 HydrophobicContact CE3-CE1 4.07Å; W68-F138 HydrophobicContact CH2-CD1 4.45Å; W68-F138 AromaticContact CH2-CE1 3.41Å; W68-F138 HydrophobicContact CH2-CE1 3.41Å; W68-F138 VanDerWaalsContact CH2-CE1 3.41Å; W68-F138 AromaticContact CH2-CZ 3.64Å; W68-F138 HydrophobicContact CH2-CZ 3.64Å; W68-F138 AromaticContact CZ3-CD1 3.72Å; W68-F138 HydrophobicContact CZ3-CD1 3.72Å; W68-F138 AromaticContact CZ3-CE1 3.07Å; W68-F138 HydrophobicContact CZ3-CE1 3.07Å; W68-F138 AromaticContact CZ3-CZ 3.66Å; W68-F138 HydrophobicContact CZ3-CZ 3.66Å; N136-F138 PolarHBondContact O-N 2.81Å; F138-L140 VanDerWaalsContact C-N 3.31Å; F138-L140 PolarHBondContact O-N 2.88Å; F138-F141 WeakPolarHBondContact O-CB 3.32Å; F138-F141 PolarHBondContact O-N 3.37Å; F138-I142 HydrophobicContact CD1-CD1 3.87Å; F138-I142 HydrophobicContact CE1-CD1 3.41Å; F138-I142 VanDerWaalsContact CE1-CD1 3.41Å; F138-I142 HydrophobicContact CE1-CG1 4.09Å; F138-I142 HydrophobicContact CZ-CD1 4.12Å; F138-I142 HydrophobicContact CZ-CG1 4.38Å; F138-I142 PolarHBondContact O-N 2.98Å; F138-W196 HydrophobicContact CB-CD2 4.45Å; F138-W196 HydrophobicContact CB-CE3 3.57Å; F138-W196 HydrophobicContact CB-CZ3 3.73Å; F138-W196 HydrophobicContact CD2-CH2 4.49Å; F138-W196 HydrophobicContact CD2-CZ3 4.05Å; F138-W196 HydrophobicContact CG-CE3 4.34Å; F138-W196 AromaticContact CG-CZ3 3.99Å; F138-W196 HydrophobicContact CG-CZ3 3.99Å
139Q96Very high95.7Very high13 Ų1318.4 Ų18.46%0.06110%0.095CC..Hα-helixtrans-65.9-37.5174.4-178177.7-23.400111.2S79 I130 A134 N136 F141 I142 G143S79-Q139 VanDerWaalsContact N-OE1 3.17Å; S79-Q139 PolarHBondContact O-OE1 3.27Å; S79-Q139 VanDerWaalsContact O-OE1 3.07Å; I130-Q139 HydrophobicContact CG2-CG 3.91Å; A134-Q139 HydrophobicContact CB-CB 3.98Å; A134-Q139 HydrophobicContact CB-CG 3.81Å; N136-Q139 HydrophobicContact CB-CB 4.46Å; N136-Q139 WeakPolarHBondContact O-CB 3.22Å; N136-Q139 PolarHBondContact O-N 3.02Å; Q139-F141 VanDerWaalsContact C-N 3.31Å; Q139-F141 PolarHBondContact O-N 3.38Å; Q139-I142 PolarHBondContact O-N 2.92Å; Q139-G143 PolarHBondContact O-N 3.5Å; Q139-G143 VanDerWaalsContact O-N 3.1Å
140L96.3Very high95.7Very high9 Ų919.7 Ų19.75%0.04710%0.101CC..Hα-helixtrans-60.2-43.7172.6-162.5170.6000110.2L131 A134 N136 L137 F138 I142 G143 W144 F182L131-L140 HydrophobicContact CG-CD2 4.2Å; L131-L140 HydrophobicContact CG-CG 4.48Å; A134-L140 HydrophobicContact CB-CB 3.83Å; A134-L140 HydrophobicContact CB-CG 4.45Å; N136-L140 PolarHBondContact O-N 3.4Å; L137-L140 HydrophobicContact CD2-CD1 4.46Å; L137-L140 WeakPolarHBondContact O-CB 3.38Å; L137-L140 PolarHBondContact O-N 3.07Å; F138-L140 VanDerWaalsContact C-N 3.31Å; F138-L140 PolarHBondContact O-N 2.88Å; L140-I142 PolarHBondContact O-N 2.98Å; L140-G143 PolarHBondContact O-N 3.26Å; L140-W144 HydrophobicContact CD2-CB 4.44Å; L140-W144 HydrophobicContact CD2-CE3 4.31Å; L140-W144 VanDerWaalsContact O-CB 3.26Å; L140-W144 WeakPolarHBondContact O-CB 3.23Å; L140-W144 PolarHBondContact O-N 2.89Å; L140-F182 HydrophobicContact CB-CZ 4.41Å; L140-F182 HydrophobicContact CD2-CE2 3.56Å; L140-F182 HydrophobicContact CD2-CZ 3.73Å; L140-F182 HydrophobicContact CG-CZ 4.48Å
141F96.9Very high95.6Very high38 Ų3817.5 Ų17.517%0.1679%0.09CC..Hα-helixtrans-62.2-39176-171-108.5000113.1L137 F138 Q139 G143 W144 E145 F182 I183 L186L137-F141 PolarHBondContact O-N 3.2Å; F138-F141 WeakPolarHBondContact O-CB 3.32Å; F138-F141 PolarHBondContact O-N 3.37Å; Q139-F141 VanDerWaalsContact C-N 3.31Å; Q139-F141 PolarHBondContact O-N 3.38Å; F141-G143 PolarHBondContact O-N 3.07Å; F141-W144 WeakPolarHBondContact O-CB 3.37Å; F141-W144 PolarHBondContact O-N 3.42Å; F141-E145 HydrophobicContact CD1-CG 4.33Å; F141-E145 HydrophobicContact CD2-CG 4.44Å; F141-E145 HydrophobicContact CE1-CG 3.83Å; F141-E145 HydrophobicContact CE2-CG 3.96Å; F141-E145 HydrophobicContact CZ-CG 3.62Å; F141-E145 WeakPolarHBondContact CZ-OE1 3.38Å; F141-E145 PolarHBondContact O-N 3.41Å; F141-F182 HydrophobicContact CB-CD1 4.33Å; F141-F182 HydrophobicContact CB-CE1 3.74Å; F141-F182 HydrophobicContact CB-CZ 4.25Å; F141-F182 AromaticContact CD2-CD1 3.47Å; F141-F182 HydrophobicContact CD2-CD1 3.47Å; F141-F182 VanDerWaalsContact CD2-CD1 3.47Å; F141-F182 AromaticContact CD2-CE1 3.77Å; F141-F182 HydrophobicContact CD2-CE1 3.77Å; F141-F182 HydrophobicContact CD2-CG 4.07Å; F141-F182 HydrophobicContact CE2-CD1 4.2Å; F141-F182 HydrophobicContact CG-CD1 4.26Å; F141-F182 HydrophobicContact CG-CE1 4.16Å; F141-I183 HydrophobicContact CE2-CD1 4.46Å; F141-I183 HydrophobicContact CE2-CG1 4.1Å; F141-I183 HydrophobicContact CZ-CD1 4.16Å; F141-I183 HydrophobicContact CZ-CG1 4.16Å; F141-L186 HydrophobicContact CB-CD1 4.42Å; F141-L186 HydrophobicContact CD2-CD1 4.47Å; F141-L186 HydrophobicContact CG-CD1 4.34Å
142I96.9Very high95.6Very high84 Ų8420.5 Ų20.543%0.43110%0.103SC..Hα-helixtrans-58.9-48.1172.9-69.1165.9000110.7F138 Q139 L140 W144 G146F138-I142 HydrophobicContact CD1-CD1 3.87Å; F138-I142 HydrophobicContact CE1-CD1 3.41Å; F138-I142 VanDerWaalsContact CE1-CD1 3.41Å; F138-I142 HydrophobicContact CE1-CG1 4.09Å; F138-I142 HydrophobicContact CZ-CD1 4.12Å; F138-I142 HydrophobicContact CZ-CG1 4.38Å; F138-I142 PolarHBondContact O-N 2.98Å; Q139-I142 PolarHBondContact O-N 2.92Å; L140-I142 PolarHBondContact O-N 2.98Å; I142-W144 VanDerWaalsContact C-N 3.34Å; I142-W144 PolarHBondContact O-N 2.98Å; I142-G146 PolarHBondContact O-N 2.98Å
143G96.7Very high95.6Very high0 Ų023.1 Ų23.10%012%0.117CC..Hα-helixtrans-62.3-41.917600000112.2T127 Q139 L140 F141 G146 V147T127-G143 WeakPolarHBondContact O-CA 3.49Å; Q139-G143 PolarHBondContact O-N 3.5Å; Q139-G143 VanDerWaalsContact O-N 3.1Å; L140-G143 PolarHBondContact O-N 3.26Å; F141-G143 PolarHBondContact O-N 3.07Å; G143-G146 PolarHBondContact O-N 3.21Å; G143-V147 WeakPolarHBondContact O-CB 3.05Å; G143-V147 VanDerWaalsContact O-CG2 3.27Å; G143-V147 WeakPolarHBondContact O-CG2 3.2Å; G143-V147 PolarHBondContact O-N 3.24Å
144W96.2Very high95.7Very high2 Ų223.3 Ų23.31%0.00812%0.118CC..Hα-helixtrans-60.1-46.9-179-178.4-88.8000113.2L131 L140 F141 I142 G148 D179 F182 A219 K223 A255 L259L131-W144 HydrophobicContact CD1-CB 4.28Å; L131-W144 HydrophobicContact CD1-CE3 4.28Å; L140-W144 HydrophobicContact CD2-CB 4.44Å; L140-W144 HydrophobicContact CD2-CE3 4.31Å; L140-W144 VanDerWaalsContact O-CB 3.26Å; L140-W144 WeakPolarHBondContact O-CB 3.23Å; L140-W144 PolarHBondContact O-N 2.89Å; F141-W144 WeakPolarHBondContact O-CB 3.37Å; F141-W144 PolarHBondContact O-N 3.42Å; I142-W144 VanDerWaalsContact C-N 3.34Å; I142-W144 PolarHBondContact O-N 2.98Å; W144-G148 PolarHBondContact O-N 3.04Å; W144-D179 VanDerWaalsContact CD1-OD1 3.26Å; W144-D179 PolarHBondContact NE1-OD1 3Å; W144-F182 HydrophobicContact CD2-CD2 4.3Å; W144-F182 HydrophobicContact CZ2-CD2 4.48Å; W144-A219 HydrophobicContact CH2-CB 4.06Å; W144-A219 WeakPolarHBondContact CH2-O 3.45Å; W144-A219 HydrophobicContact CZ2-CB 3.84Å; W144-A219 WeakPolarHBondContact CZ2-O 3.03Å; W144-K223 HydrophobicContact CD2-CG 4.07Å; W144-K223 VanDerWaalsContact CE2-CE 3.48Å; W144-K223 VanDerWaalsContact CE2-CG 3.45Å; W144-K223 HydrophobicContact CE3-CG 4.28Å; W144-K223 HydrophobicContact CH2-CB 3.74Å; W144-K223 HydrophobicContact CH2-CG 3.36Å; W144-K223 HydrophobicContact CZ2-CB 3.94Å; W144-K223 HydrophobicContact CZ2-CD 4.2Å; W144-K223 HydrophobicContact CZ2-CG 3.09Å; W144-K223 HydrophobicContact CZ3-CB 4.32Å; W144-K223 HydrophobicContact CZ3-CG 3.95Å; W144-K223 VanDerWaalsContact NE1-CE 3.25Å; W144-K223 PolarHBondContact O-NZ 3.05Å; W144-A255 HydrophobicContact CE3-CB 4.49Å; W144-A255 HydrophobicContact CZ3-CB 4.41Å; W144-L259 HydrophobicContact CE3-CD1 4.15Å; W144-L259 HydrophobicContact CH2-CD1 3.77Å; W144-L259 HydrophobicContact CZ3-CB 4.16Å; W144-L259 HydrophobicContact CZ3-CD1 3.53Å
145E96.8Very high95.7Very high18 Ų1823 Ų238%0.08412%0.115CC..Hα-helixtrans-72.4-41.4175-74.6-71.5-171.700112F141 V147 G148 I149 R176 D179F141-E145 HydrophobicContact CD1-CG 4.33Å; F141-E145 HydrophobicContact CD2-CG 4.44Å; F141-E145 HydrophobicContact CE1-CG 3.83Å; F141-E145 HydrophobicContact CE2-CG 3.96Å; F141-E145 HydrophobicContact CZ-CG 3.62Å; F141-E145 WeakPolarHBondContact CZ-OE1 3.38Å; F141-E145 PolarHBondContact O-N 3.41Å; E145-V147 VanDerWaalsContact C-N 3.32Å; E145-V147 PolarHBondContact O-N 3.16Å; E145-G148 CarbonylContact O-C 3.31Å; E145-G148 WeakPolarHBondContact O-CA 3.47Å; E145-G148 PolarHBondContact O-N 3.48Å; E145-I149 WeakPolarHBondContact O-CG1 2.91Å; E145-I149 PolarHBondContact O-N 3.41Å; E145-R176 VanDerWaalsContact CD-NH1 3.32Å; E145-R176 IonicContact OE1-CZ 2.92Å; E145-R176 VanDerWaalsContact OE1-CZ 3.23Å; E145-R176 IonicContact OE1-NH1 3.19Å; E145-R176 PolarHBondContact OE1-NH1 3.41Å; E145-R176 IonicContact OE1-NH2 3.99Å; E145-R176 PolarHBondContact OE1-NH2 3Å; E145-R176 IonicContact OE2-CZ 3.96Å; E145-R176 IonicContact OE2-NE 3.78Å; E145-R176 IonicContact OE2-NH1 3.89Å; E145-R176 PolarHBondContact OE2-NH1 3.47Å; E145-R176 IonicContact OE2-NH2 2.67Å; E145-R176 PolarHBondContact OE2-NH2 3.29Å; E145-D179 VanDerWaalsContact OE1-OD2 3.1Å
146G96.4Very high95.8Very high13 Ų1323.6 Ų23.613%0.13412%0.12CC..Hα-helixtrans-57.4-44.7177.400000112.3I142 G143 G148 M150I142-G146 PolarHBondContact O-N 2.98Å; G143-G146 PolarHBondContact O-N 3.21Å; G146-G148 VanDerWaalsContact C-N 3.32Å; G146-G148 PolarHBondContact O-N 2.9Å; G146-M150 WeakPolarHBondContact O-CB 2.91Å; G146-M150 VanDerWaalsContact O-CG 3.24Å; G146-M150 WeakPolarHBondContact O-CG 3.37Å; G146-M150 PolarHBondContact O-N 3.12Å
147V95.8Very high95.9Very high0 Ų024.7 Ų24.70%012%0.124CC..Hα-helixtrans-62.2-39.5172.6168.90000111.1F124 M128 G143 E145 S151 M252F124-V147 HydrophobicContact CE2-CB 4.31Å; F124-V147 HydrophobicContact CE2-CG1 3.64Å; F124-V147 HydrophobicContact CZ-CG1 3.82Å; M128-V147 HydrophobicContact CB-CG2 4.12Å; M128-V147 HydrophobicContact SD-CG2 4.21Å; G143-V147 WeakPolarHBondContact O-CB 3.05Å; G143-V147 VanDerWaalsContact O-CG2 3.27Å; G143-V147 WeakPolarHBondContact O-CG2 3.2Å; G143-V147 PolarHBondContact O-N 3.24Å; E145-V147 VanDerWaalsContact C-N 3.32Å; E145-V147 PolarHBondContact O-N 3.16Å; V147-S151 WeakPolarHBondContact O-CB 3.12Å; V147-S151 PolarHBondContact O-N 3.04Å; V147-S151 PolarHBondContact O-OG 3.4Å; V147-M252 HydrophobicContact CG1-CB 3.76Å; V147-M252 HydrophobicContact CG1-CG 3.83Å
148G95.1Very high96Very high1 Ų128.2 Ų28.21%0.0114%0.137CC..Hα-helixtrans-62.7-49.9176.900000113.5W144 E145 G146 S151 F152W144-G148 PolarHBondContact O-N 3.04Å; E145-G148 CarbonylContact O-C 3.31Å; E145-G148 WeakPolarHBondContact O-CA 3.47Å; E145-G148 PolarHBondContact O-N 3.48Å; G146-G148 VanDerWaalsContact C-N 3.32Å; G146-G148 PolarHBondContact O-N 2.9Å; G148-S151 PolarHBondContact O-N 3.43Å; G148-S151 PolarHBondContact O-OG 3.09Å; G148-F152 PolarHBondContact O-N 2.81Å; G148-F152 VanDerWaalsContact O-N 3.1Å
149I95.8Very high95.9Very high76 Ų7633.5 Ų33.539%0.3916%0.156SC..Hα-helixtrans-66.7-42.8-179.1-63.9165.8000110.8E145 S151 F152 L153E145-I149 WeakPolarHBondContact O-CG1 2.91Å; E145-I149 PolarHBondContact O-N 3.41Å; I149-S151 VanDerWaalsContact C-N 3.29Å; I149-S151 PolarHBondContact O-N 2.86Å; I149-F152 WeakPolarHBondContact O-CB 3.18Å; I149-F152 PolarHBondContact O-N 2.89Å; I149-L153 PolarHBondContact O-N 2.97Å; I149-L153 VanDerWaalsContact O-N 3.13Å
150M95.8Very high95.9Very high30 Ų3037.3 Ų37.315%0.14819%0.19CC..Hα-helixtrans-65.8-34.8177.3-67.1-60137.700111.6I123 F124 G146 F152 L153 L154I123-M150 HydrophobicContact CB-SD 4Å; I123-M150 HydrophobicContact CG2-CE 3.61Å; I123-M150 HydrophobicContact CG2-CG 3.91Å; I123-M150 HydrophobicContact CG2-SD 3.58Å; I123-M150 VanDerWaalsContact CG2-SD 3.58Å; F124-M150 HydrophobicContact CB-CB 3.94Å; F124-M150 HydrophobicContact CB-CG 4.4Å; F124-M150 HydrophobicContact CD2-CB 3.68Å; F124-M150 HydrophobicContact CG-CB 4.3Å; G146-M150 WeakPolarHBondContact O-CB 2.91Å; G146-M150 VanDerWaalsContact O-CG 3.24Å; G146-M150 WeakPolarHBondContact O-CG 3.37Å; G146-M150 PolarHBondContact O-N 3.12Å; M150-F152 VanDerWaalsContact C-N 3.35Å; M150-F152 PolarHBondContact O-N 3.26Å; M150-L153 HydrophobicContact CE-CD1 4.38Å; M150-L153 PolarHBondContact O-N 2.79Å; M150-L153 HydrophobicContact SD-CD1 4.26Å; M150-L154 WeakPolarHBondContact O-CB 3.21Å; M150-L154 VanDerWaalsContact O-CG 3.28Å; M150-L154 WeakPolarHBondContact O-CG 3.43Å; M150-L154 PolarHBondContact O-N 2.95Å
151S94.5Very high95.8Very high0 Ų043.4 Ų43.40%021%0.212CC..Hα-helixtrans-62.7-40.6172.877.10000112.3V147 G148 I149 L153 L154 I155 M252V147-S151 WeakPolarHBondContact O-CB 3.12Å; V147-S151 PolarHBondContact O-N 3.04Å; V147-S151 PolarHBondContact O-OG 3.4Å; G148-S151 PolarHBondContact O-N 3.43Å; G148-S151 PolarHBondContact O-OG 3.09Å; I149-S151 VanDerWaalsContact C-N 3.29Å; I149-S151 PolarHBondContact O-N 2.86Å; S151-L153 PolarHBondContact O-N 3.24Å; S151-L154 PolarHBondContact O-N 2.62Å; S151-I155 WeakPolarHBondContact O-CB 3.36Å; S151-I155 WeakPolarHBondContact O-CD1 3.29Å; S151-I155 WeakPolarHBondContact O-CG1 3.46Å; S151-I155 PolarHBondContact O-N 2.89Å; S151-M252 WeakPolarHBondContact CB-SD 3.3Å; S151-M252 VanDerWaalsContact OG-CE 3.27Å; S151-M252 WeakPolarHBondContact OG-CE 3.27Å
152F95.5Very high95.7Very high65 Ų6544.9 Ų44.929%0.28523%0.231SC..Hα-helixtrans-58.6-49.5175.6169.5-94.5000111.5G148 I149 M150 L154 I155 S156 A168 I169 I172G148-F152 PolarHBondContact O-N 2.81Å; G148-F152 VanDerWaalsContact O-N 3.1Å; I149-F152 WeakPolarHBondContact O-CB 3.18Å; I149-F152 PolarHBondContact O-N 2.89Å; M150-F152 VanDerWaalsContact C-N 3.35Å; M150-F152 PolarHBondContact O-N 3.26Å; F152-L154 VanDerWaalsContact C-N 3.34Å; F152-L154 PolarHBondContact O-N 2.86Å; F152-I155 PolarHBondContact O-N 2.89Å; F152-S156 WeakPolarHBondContact O-CB 3.47Å; F152-S156 PolarHBondContact O-N 3.1Å; F152-A168 HydrophobicContact CD2-CB 3.61Å; F152-A168 WeakPolarHBondContact CD2-O 3.36Å; F152-A168 HydrophobicContact CE2-CB 3.78Å; F152-A168 HydrophobicContact CG-CB 4.41Å; F152-I169 HydrophobicContact CE2-CG1 4.14Å; F152-I172 HydrophobicContact CD2-CB 4.45Å; F152-I172 HydrophobicContact CD2-CG2 4.25Å
153L96.5Very high95.6Very high55 Ų5546 Ų4629%0.28824%0.238SC..Hα-helixtrans-64.9-36.4179.5-66.3174.9000112.9Y120 I149 M150 S151 S156 W157Y120-L153 HydrophobicContact CD2-CB 4.49Å; Y120-L153 HydrophobicContact CE2-CB 4.42Å; I149-L153 PolarHBondContact O-N 2.97Å; I149-L153 VanDerWaalsContact O-N 3.13Å; M150-L153 HydrophobicContact CE-CD1 4.38Å; M150-L153 PolarHBondContact O-N 2.79Å; M150-L153 HydrophobicContact SD-CD1 4.26Å; S151-L153 PolarHBondContact O-N 3.24Å; L153-S156 CarbonylContact O-C 3.55Å; L153-W157 PolarHBondContact O-N 3.46Å
154L96.3Very high95.6Very high3 Ų346 Ų462%0.01624%0.239CC..Hα-helixtrans-79.1-31.4-178.9-72.5173.8000113.1F117 Y120 F124 M150 S151 F152 V243F117-L154 HydrophobicContact CD2-CD2 4.36Å; F117-L154 HydrophobicContact CE2-CD2 4.24Å; Y120-L154 HydrophobicContact CD2-CD2 4.38Å; F124-L154 HydrophobicContact CB-CD1 4.28Å; F124-L154 HydrophobicContact CD2-CD1 4.37Å; F124-L154 HydrophobicContact CG-CD1 4.41Å; M150-L154 WeakPolarHBondContact O-CB 3.21Å; M150-L154 VanDerWaalsContact O-CG 3.28Å; M150-L154 WeakPolarHBondContact O-CG 3.43Å; M150-L154 PolarHBondContact O-N 2.95Å; S151-L154 PolarHBondContact O-N 2.62Å; F152-L154 VanDerWaalsContact C-N 3.34Å; F152-L154 PolarHBondContact O-N 2.86Å; L154-V243 HydrophobicContact CB-CB 4.41Å; L154-V243 HydrophobicContact CB-CG1 3.62Å; L154-V243 HydrophobicContact CB-CG2 3.84Å; L154-V243 HydrophobicContact CD1-CG1 4.46Å; L154-V243 HydrophobicContact CD1-CG2 4.36Å; L154-V243 HydrophobicContact CD2-CG2 3.89Å; L154-V243 HydrophobicContact CG-CG2 4.25Å
155I96.3Very high95.6Very high1 Ų148.4 Ų48.41%0.00525%0.251CS..Hα-helixtrans-70.1-45.3172.4-66163.7000109.6S151 F152 W157 A167 A168 A171 A236 L247S151-I155 WeakPolarHBondContact O-CB 3.36Å; S151-I155 WeakPolarHBondContact O-CD1 3.29Å; S151-I155 WeakPolarHBondContact O-CG1 3.46Å; S151-I155 PolarHBondContact O-N 2.89Å; F152-I155 PolarHBondContact O-N 2.89Å; I155-W157 PolarHBondContact O-N 3.49Å; I155-W157 VanDerWaalsContact O-N 3.09Å; I155-A167 HydrophobicContact CG2-CB 4.12Å; I155-A168 HydrophobicContact CB-CB 4.17Å; I155-A168 HydrophobicContact CG2-CB 4Å; I155-A171 HydrophobicContact CD1-CB 3.98Å; I155-A236 HydrophobicContact CD1-CB 3.74Å; I155-A236 HydrophobicContact CG1-CB 4.18Å; I155-L247 HydrophobicContact CD1-CD1 4.48Å; I155-L247 HydrophobicContact CG1-CD1 4.24Å
156S96.3Very high95.6Very high21 Ų2151.5 Ų51.515%0.14727%0.272CS..THydrogen-bonded Turntrans-82.535.3175.8-175.10000112.6F152 L153 Y159 N165F152-S156 WeakPolarHBondContact O-CB 3.47Å; F152-S156 PolarHBondContact O-N 3.1Å; L153-S156 CarbonylContact O-C 3.55Å; S156-Y159 PolarHBondContact O-N 2.87Å; S156-N165 PolarHBondContact OG-OD1 2.77Å
157W96Very high95.5Very high26 Ų2651 Ų5110%0.09827%0.266CS..THydrogen-bonded Turntrans-61.7-49.4179.2-179.8-107000111.6D111 N113 Q116 F117 Y120 L153 I155 Y159 P240D111-W157 PolarHBondContact OD2-NE1 3.04Å; N113-W157 HydrophobicContact CB-CH2 4.14Å; N113-W157 HydrophobicContact CB-CZ2 4.03Å; N113-W157 WeakPolarHBondContact O-CH2 3.34Å; Q116-W157 HydrophobicContact CB-CH2 4.1Å; Q116-W157 HydrophobicContact CG-CH2 4.19Å; Q116-W157 HydrophobicContact CG-CZ3 4.21Å; F117-W157 HydrophobicContact CB-CH2 3.63Å; F117-W157 HydrophobicContact CB-CZ2 3.81Å; F117-W157 HydrophobicContact CB-CZ3 4.11Å; F117-W157 HydrophobicContact CD2-CD2 4.05Å; F117-W157 HydrophobicContact CD2-CE3 4.14Å; F117-W157 HydrophobicContact CD2-CH2 4.4Å; F117-W157 HydrophobicContact CD2-CZ2 4.3Å; F117-W157 HydrophobicContact CD2-CZ3 4.31Å; Y120-W157 HydrophobicContact CD2-CE3 4.3Å; Y120-W157 AromaticContact CD2-CZ3 3.84Å; Y120-W157 HydrophobicContact CD2-CZ3 3.84Å; Y120-W157 AromaticContact CE2-CZ3 3.98Å; Y120-W157 HydrophobicContact CE2-CZ3 3.98Å; L153-W157 PolarHBondContact O-N 3.46Å; I155-W157 PolarHBondContact O-N 3.49Å; I155-W157 VanDerWaalsContact O-N 3.09Å; W157-Y159 VanDerWaalsContact C-N 3.3Å; W157-Y159 PolarHBondContact O-N 2.94Å; W157-Y159 VanDerWaalsContact O-N 3.15Å; W157-P240 HydrophobicContact CB-CG 4.32Å; W157-P240 HydrophobicContact CG-CG 4.49Å
158W94.8Very high95.5Very high77 Ų7751 Ų5129%0.29227%0.266SS..THydrogen-bonded Turntrans-88.870.1172.3-61-52.1000110.4A160 R161 P240W158-A160 PolarHBondContact O-N 3.49Å; W158-R161 HydrophobicContact CB-CG 4.47Å; W158-R161 PolarHBondContact O-N 3.48Å; W158-P240 HydrophobicContact CH2-CB 4.03Å; W158-P240 HydrophobicContact CZ2-CB 4.45Å; W158-P240 HydrophobicContact CZ3-CB 4.42Å
159Y93.7Very high95.6Very high172 Ų17255.7 Ų55.768%0.67529%0.29SS*.THydrogen-bonded Turntrans-55.6-17.8-176.260.5-94.3000115.1S156 W157 R161 N165S156-Y159 PolarHBondContact O-N 2.87Å; W157-Y159 VanDerWaalsContact C-N 3.3Å; W157-Y159 PolarHBondContact O-N 2.94Å; W157-Y159 VanDerWaalsContact O-N 3.15Å; Y159-R161 VanDerWaalsContact C-N 3.28Å; Y159-R161 PolarHBondContact O-N 2.66Å; Y159-N165 WeakPolarHBondContact CA-OD1 3.42Å; Y159-N165 PolarHBondContact O-ND2 2.84Å; Y159-N165 PolarHBondContact O-OD1 3.12Å
160A94.6Very high95.5Very high93 Ų9353.7 Ų53.777%0.76928%0.279SS*.THydrogen-bonded Turntrans-71.6-21.5174.300000113W158W158-A160 PolarHBondContact O-N 3.49Å
161R94.4Very high95.5Very high137 Ų13752.2 Ų52.252%0.51727%0.272SS..  trans-83.7118.8177.2-66.7-173.7-179.3-174.51.4110W158 Y159 D163 A164 N165W158-R161 HydrophobicContact CB-CG 4.47Å; W158-R161 PolarHBondContact O-N 3.48Å; Y159-R161 VanDerWaalsContact C-N 3.28Å; Y159-R161 PolarHBondContact O-N 2.66Å; R161-D163 VanDerWaalsContact C-N 3.28Å; R161-D163 PolarHBondContact O-N 3.08Å; R161-A164 HydrophobicContact CB-CB 4.07Å; R161-A164 PolarHBondContact O-N 3.24Å; R161-N165 PolarHBondContact O-N 3.42Å
162A96.2Very high95.5Very high68 Ų6854 Ų5456%0.56228%0.281SS*.Hα-helixtrans-57.5-41.4177.900000112A164 N165 T166A162-A164 VanDerWaalsContact C-N 3.32Å; A162-A164 PolarHBondContact O-N 3.21Å; A162-N165 PolarHBondContact O-N 3.38Å; A162-N165 VanDerWaalsContact O-N 3.15Å; A162-T166 WeakPolarHBondContact O-CG2 3.4Å; A162-T166 PolarHBondContact O-N 3.18Å; A162-T166 PolarHBondContact O-OG1 2.95Å
163D94.9Very high95.6Very high108 Ų10855.7 Ų55.758%0.57829%0.292SS*.Hα-helixtrans-64.4-34-179.6-61.2-36000113.1R161 T166 A167 E238R161-D163 VanDerWaalsContact C-N 3.28Å; R161-D163 PolarHBondContact O-N 3.08Å; D163-T166 WeakPolarHBondContact CA-OG1 3.28Å; D163-T166 PolarHBondContact O-OG1 2.84Å; D163-A167 VanDerWaalsContact O-CB 3.23Å; D163-A167 WeakPolarHBondContact O-CB 3.44Å; D163-A167 PolarHBondContact O-N 2.88Å; D163-E238 HydrophobicContact CB-CG 4.47Å
164A95.1Very high95.5Very high1 Ų153.9 Ų53.91%0.00828%0.282CS..Hα-helixtrans-68.6-38.3175.200000111.3R161 A162 A168 E238R161-A164 HydrophobicContact CB-CB 4.07Å; R161-A164 PolarHBondContact O-N 3.24Å; A162-A164 VanDerWaalsContact C-N 3.32Å; A162-A164 PolarHBondContact O-N 3.21Å; A164-A168 WeakPolarHBondContact O-CB 3.28Å; A164-A168 PolarHBondContact O-N 3.19Å; A164-E238 HydrophobicContact CB-CB 4.37Å
165N96.3Very high95.5Very high51 Ų5153.8 Ų53.827%0.27328%0.281SS..Hα-helixtrans-70.7-42.2178.1-63.7-15.8000111.6S156 Y159 R161 A162 A167 A168 I169S156-N165 PolarHBondContact OG-OD1 2.77Å; Y159-N165 WeakPolarHBondContact CA-OD1 3.42Å; Y159-N165 PolarHBondContact O-ND2 2.84Å; Y159-N165 PolarHBondContact O-OD1 3.12Å; R161-N165 PolarHBondContact O-N 3.42Å; A162-N165 PolarHBondContact O-N 3.38Å; A162-N165 VanDerWaalsContact O-N 3.15Å; N165-A167 VanDerWaalsContact C-N 3.35Å; N165-A168 PolarHBondContact O-N 3.04Å; N165-I169 VanDerWaalsContact O-CG1 3.31Å; N165-I169 WeakPolarHBondContact O-CG1 3.33Å; N165-I169 PolarHBondContact O-N 3.28Å
166T96.4Very high95.5Very high84 Ų8458.8 Ų58.852%0.51530%0.3SS..Hα-helixtrans-63.8-42.3175.557.70000110.7A162 D163 A168 I169 Q170A162-T166 WeakPolarHBondContact O-CG2 3.4Å; A162-T166 PolarHBondContact O-N 3.18Å; A162-T166 PolarHBondContact O-OG1 2.95Å; D163-T166 WeakPolarHBondContact CA-OG1 3.28Å; D163-T166 PolarHBondContact O-OG1 2.84Å; T166-A168 PolarHBondContact O-N 2.66Å; T166-I169 PolarHBondContact O-N 3.28Å; T166-Q170 VanDerWaalsContact O-CB 3.24Å; T166-Q170 WeakPolarHBondContact O-CB 3.4Å; T166-Q170 PolarHBondContact O-N 3.05Å
167A95.9Very high95.5Very high2 Ų260.5 Ų60.52%0.01731%0.307CS..Hα-helixtrans-61.6-41.7174.700000112.8I155 D163 N165 Q170 A171 S235I155-A167 HydrophobicContact CG2-CB 4.12Å; D163-A167 VanDerWaalsContact O-CB 3.23Å; D163-A167 WeakPolarHBondContact O-CB 3.44Å; D163-A167 PolarHBondContact O-N 2.88Å; N165-A167 VanDerWaalsContact C-N 3.35Å; A167-Q170 WeakPolarHBondContact O-CB 3.48Å; A167-Q170 PolarHBondContact O-N 3.15Å; A167-A171 PolarHBondContact O-N 3.28Å; A167-S235 WeakPolarHBondContact CB-O 3.06Å
168A96.1Very high95.5Very high0 Ų059.3 Ų59.30%030%0.302CS..Hα-helixtrans-65.6-45.817700000111.9F152 I155 A164 N165 T166 Q170 A171 I172F152-A168 HydrophobicContact CD2-CB 3.61Å; F152-A168 WeakPolarHBondContact CD2-O 3.36Å; F152-A168 HydrophobicContact CE2-CB 3.78Å; F152-A168 HydrophobicContact CG-CB 4.41Å; I155-A168 HydrophobicContact CB-CB 4.17Å; I155-A168 HydrophobicContact CG2-CB 4Å; A164-A168 WeakPolarHBondContact O-CB 3.28Å; A164-A168 PolarHBondContact O-N 3.19Å; N165-A168 PolarHBondContact O-N 3.04Å; T166-A168 PolarHBondContact O-N 2.66Å; A168-Q170 VanDerWaalsContact C-N 3.28Å; A168-Q170 PolarHBondContact O-N 3.23Å; A168-A171 PolarHBondContact O-N 3.39Å; A168-I172 PolarHBondContact O-N 3.04Å; A168-I172 VanDerWaalsContact O-N 3.09Å
169I95.4Very high95.6Very high100 Ų10055.8 Ų55.851%0.51329%0.289SS..Hα-helixtrans-61.5-39.4175.5-68.1168.4000110.7F152 N165 T166 I172 L173F152-I169 HydrophobicContact CE2-CG1 4.14Å; N165-I169 VanDerWaalsContact O-CG1 3.31Å; N165-I169 WeakPolarHBondContact O-CG1 3.33Å; N165-I169 PolarHBondContact O-N 3.28Å; T166-I169 PolarHBondContact O-N 3.28Å; I169-I172 WeakPolarHBondContact O-CG2 3.28Å; I169-I172 PolarHBondContact O-N 3.14Å; I169-L173 WeakPolarHBondContact O-CB 3.34Å; I169-L173 PolarHBondContact O-N 3.44Å
170Q95Very high95.8Very high33 Ų3353 Ų5315%0.15429%0.285CS..Hα-helixtrans-60.3-48.9175.6-171.8-169.2-16.300110.7T166 A167 A168 I172 L173 Y174 P231 W232 S235 H534T166-Q170 VanDerWaalsContact O-CB 3.24Å; T166-Q170 WeakPolarHBondContact O-CB 3.4Å; T166-Q170 PolarHBondContact O-N 3.05Å; A167-Q170 WeakPolarHBondContact O-CB 3.48Å; A167-Q170 PolarHBondContact O-N 3.15Å; A168-Q170 VanDerWaalsContact C-N 3.28Å; A168-Q170 PolarHBondContact O-N 3.23Å; Q170-I172 PolarHBondContact O-N 3.04Å; Q170-L173 PolarHBondContact O-N 3.02Å; Q170-Y174 HydrophobicContact CG-CD2 3.71Å; Q170-Y174 HydrophobicContact CG-CE2 3.49Å; Q170-Y174 VanDerWaalsContact CG-CE2 3.49Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.34Å; Q170-Y174 PolarHBondContact O-N 3.17Å; Q170-P231 PolarHBondContact NE2-O 2.8Å; Q170-W232 HydrophobicContact CG-CB 4.31Å; Q170-S235 VanDerWaalsContact CD-OG 3.28Å; Q170-S235 PolarHBondContact NE2-OG 3.01Å; Q170-S235 PolarHBondContact OE1-OG 3.43Å; Q170-H534 PolarHBondContact NE2-CE1 3.2Å
171A94.8Very high95.9Very high0 Ų048.6 Ų48.60%025%0.248CC..Hα-helixtrans-60.2-42.9179.400000113I155 A167 A168 N175 W232I155-A171 HydrophobicContact CD1-CB 3.98Å; A167-A171 PolarHBondContact O-N 3.28Å; A168-A171 PolarHBondContact O-N 3.39Å; A171-N175 WeakPolarHBondContact O-CB 3.35Å; A171-N175 PolarHBondContact O-N 3.31Å; A171-N175 VanDerWaalsContact O-N 3.07Å; A171-N175 PolarHBondContact O-ND2 3.41Å; A171-N175 VanDerWaalsContact O-ND2 3.1Å; A171-W232 HydrophobicContact CB-CB 4.32Å; A171-W232 HydrophobicContact CB-CD2 4.46Å; A171-W232 HydrophobicContact CB-CE3 3.91Å
172I96Very high95.9Very high37 Ų3742.1 Ų42.119%0.1922%0.224CC..Hα-helixtrans-65.5-40.5176.6-170.865.4000111.3F152 A168 I169 Q170 N175 R176F152-I172 HydrophobicContact CD2-CB 4.45Å; F152-I172 HydrophobicContact CD2-CG2 4.25Å; A168-I172 PolarHBondContact O-N 3.04Å; A168-I172 VanDerWaalsContact O-N 3.09Å; I169-I172 WeakPolarHBondContact O-CG2 3.28Å; I169-I172 PolarHBondContact O-N 3.14Å; Q170-I172 PolarHBondContact O-N 3.04Å; I172-N175 PolarHBondContact O-N 3.15Å; I172-R176 HydrophobicContact CD1-CG 4.3Å; I172-R176 HydrophobicContact CG1-CG 4.16Å; I172-R176 WeakPolarHBondContact O-CB 3.13Å; I172-R176 WeakPolarHBondContact O-CG 3.39Å; I172-R176 PolarHBondContact O-N 3.37Å
173L95.9Very high96Very high100 Ų10042.9 Ų42.952%0.52422%0.218SC..Hα-helixtrans-61.6-48.8179.7-166.2164.5000111.4I169 Q170 N175 R176 I177I169-L173 WeakPolarHBondContact O-CB 3.34Å; I169-L173 PolarHBondContact O-N 3.44Å; Q170-L173 PolarHBondContact O-N 3.02Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 2.92Å; L173-R176 PolarHBondContact O-N 3.1Å; L173-I177 HydrophobicContact CD2-CD1 3.62Å; L173-I177 HydrophobicContact CD2-CG1 4.21Å; L173-I177 WeakPolarHBondContact O-CG1 3.34Å; L173-I177 PolarHBondContact O-N 3Å
174Y95.7Very high96Very high18 Ų1842.1 Ų42.17%0.07121%0.213CC..Hα-helixtrans-63.4-38.5177.9-79.3-72.4000112.8Q170 R176 I177 G178 L229 W232 H534Q170-Y174 HydrophobicContact CG-CD2 3.71Å; Q170-Y174 HydrophobicContact CG-CE2 3.49Å; Q170-Y174 VanDerWaalsContact CG-CE2 3.49Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.34Å; Q170-Y174 PolarHBondContact O-N 3.17Å; Y174-R176 VanDerWaalsContact C-N 3.34Å; Y174-I177 HydrophobicContact CD1-CD1 4.49Å; Y174-I177 PolarHBondContact O-N 3.07Å; Y174-G178 PolarHBondContact O-N 2.87Å; Y174-L229 HydrophobicContact CD1-CB 3.77Å; Y174-L229 HydrophobicContact CD1-CD2 3.52Å; Y174-L229 HydrophobicContact CD1-CG 4.2Å; Y174-L229 HydrophobicContact CE1-CB 4.34Å; Y174-L229 HydrophobicContact CE1-CD2 3.82Å; Y174-W232 HydrophobicContact CD2-CB 3.69Å; Y174-W232 HydrophobicContact CD2-CG 4.28Å; Y174-W232 HydrophobicContact CE2-CB 4.39Å; Y174-W232 HydrophobicContact CG-CB 4.28Å; Y174-W232 AromaticContact CG-CD1 3.83Å; Y174-W232 HydrophobicContact CG-CG 4.4Å; Y174-H534 AromaticContact CE2-NE2 3.83Å; Y174-H534 AromaticContact CZ-NE2 3.76Å; Y174-H534 PolarHBondContact OH-CD2 3.38Å; Y174-H534 PolarHBondContact OH-NE2 2.7Å
175N95.2Very high96Very high0 Ų042.2 Ų42.20%021%0.214CC..Hα-helixtrans-62.8-42.9174.2-70.7-23.8000111.5A171 I172 L173 I177 G178 D179 K223 M252A171-N175 WeakPolarHBondContact O-CB 3.35Å; A171-N175 PolarHBondContact O-N 3.31Å; A171-N175 VanDerWaalsContact O-N 3.07Å; A171-N175 PolarHBondContact O-ND2 3.41Å; A171-N175 VanDerWaalsContact O-ND2 3.1Å; I172-N175 PolarHBondContact O-N 3.15Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 2.92Å; N175-I177 VanDerWaalsContact C-N 3.3Å; N175-I177 PolarHBondContact O-N 3.42Å; N175-G178 CarbonylContact O-C 3.5Å; N175-G178 VanDerWaalsContact O-CA 3.31Å; N175-G178 WeakPolarHBondContact O-CA 3.48Å; N175-G178 PolarHBondContact O-N 3.44Å; N175-D179 PolarHBondContact O-N 3.17Å; N175-D179 VanDerWaalsContact O-OD1 3.1Å; N175-K223 HydrophobicContact CB-CD 4.38Å; N175-K223 WeakPolarHBondContact OD1-CD 3.43Å; N175-M252 WeakPolarHBondContact ND2-CE 3.31Å
176R96.6Very high95.9Very high107 Ų10740.7 Ų40.740%0.40421%0.206SC..Hα-helixtrans-62.6-34.5178.5-68.9-75.8170.4-165.5-7.6113E145 I172 L173 Y174 G178 D179 I180E145-R176 VanDerWaalsContact CD-NH1 3.32Å; E145-R176 IonicContact OE1-CZ 2.92Å; E145-R176 VanDerWaalsContact OE1-CZ 3.23Å; E145-R176 IonicContact OE1-NH1 3.19Å; E145-R176 PolarHBondContact OE1-NH1 3.41Å; E145-R176 IonicContact OE1-NH2 3.99Å; E145-R176 PolarHBondContact OE1-NH2 3Å; E145-R176 IonicContact OE2-CZ 3.96Å; E145-R176 IonicContact OE2-NE 3.78Å; E145-R176 IonicContact OE2-NH1 3.89Å; E145-R176 PolarHBondContact OE2-NH1 3.47Å; E145-R176 IonicContact OE2-NH2 2.67Å; E145-R176 PolarHBondContact OE2-NH2 3.29Å; I172-R176 HydrophobicContact CD1-CG 4.3Å; I172-R176 HydrophobicContact CG1-CG 4.16Å; I172-R176 WeakPolarHBondContact O-CB 3.13Å; I172-R176 WeakPolarHBondContact O-CG 3.39Å; I172-R176 PolarHBondContact O-N 3.37Å; L173-R176 PolarHBondContact O-N 3.1Å; Y174-R176 VanDerWaalsContact C-N 3.34Å; R176-G178 VanDerWaalsContact C-N 3.29Å; R176-G178 PolarHBondContact O-N 3.15Å; R176-D179 VanDerWaalsContact CA-OD2 3.29Å; R176-D179 WeakPolarHBondContact CA-OD2 2.99Å; R176-D179 WeakPolarHBondContact CD-OD2 3.16Å; R176-D179 IonicContact CZ-OD2 3.75Å; R176-D179 IonicContact NE-OD2 2.64Å; R176-D179 IonicContact NH1-OD2 3.23Å; R176-D179 WeakPolarHBondContact O-CB 3.13Å; R176-D179 PolarHBondContact O-N 3.33Å; R176-I180 PolarHBondContact O-N 2.52Å
177I96.8Very high95.9Very high57 Ų5738.8 Ų38.829%0.29220%0.198SC..Hα-helixtrans-61.5-41.4170.5-65.5167.9000110.5L173 Y174 N175 I180 L229L173-I177 HydrophobicContact CD2-CD1 3.62Å; L173-I177 HydrophobicContact CD2-CG1 4.21Å; L173-I177 WeakPolarHBondContact O-CG1 3.34Å; L173-I177 PolarHBondContact O-N 3Å; Y174-I177 HydrophobicContact CD1-CD1 4.49Å; Y174-I177 PolarHBondContact O-N 3.07Å; N175-I177 VanDerWaalsContact C-N 3.3Å; N175-I177 PolarHBondContact O-N 3.42Å; I177-I180 WeakPolarHBondContact O-CB 3.45Å; I177-I180 PolarHBondContact O-N 2.91Å; I177-L229 HydrophobicContact CB-CD2 4.45Å; I177-L229 HydrophobicContact CD1-CD2 4.08Å; I177-L229 HydrophobicContact CG2-CD1 4.01Å; I177-L229 HydrophobicContact CG2-CD2 4.01Å
178G95.9Very high95.8Very high0 Ų040.4 Ų40.40%020%0.204CC..Hα-helixtrans-65.1-38.1172.900000113Y174 N175 R176 I180 G181 F182 A219Y174-G178 PolarHBondContact O-N 2.87Å; N175-G178 CarbonylContact O-C 3.5Å; N175-G178 VanDerWaalsContact O-CA 3.31Å; N175-G178 WeakPolarHBondContact O-CA 3.48Å; N175-G178 PolarHBondContact O-N 3.44Å; R176-G178 VanDerWaalsContact C-N 3.29Å; R176-G178 PolarHBondContact O-N 3.15Å; G178-I180 PolarHBondContact O-N 2.95Å; G178-G181 WeakPolarHBondContact O-CA 3.23Å; G178-G181 PolarHBondContact O-N 2.99Å; G178-F182 PolarHBondContact O-N 3.43Å; G178-F182 VanDerWaalsContact O-N 3.13Å; G178-A219 VanDerWaalsContact O-CA 3.3Å; G178-A219 WeakPolarHBondContact O-CA 3.3Å; G178-A219 WeakPolarHBondContact O-CB 3.32Å
179D96.4Very high95.6Very high3 Ų340.4 Ų40.42%0.01620%0.204CC..Hα-helixtrans-61.8-31.5180-56.1-23.8000111.8W144 E145 N175 R176 G181 F182 I183W144-D179 VanDerWaalsContact CD1-OD1 3.26Å; W144-D179 PolarHBondContact NE1-OD1 3Å; E145-D179 VanDerWaalsContact OE1-OD2 3.1Å; N175-D179 PolarHBondContact O-N 3.17Å; N175-D179 VanDerWaalsContact O-OD1 3.1Å; R176-D179 VanDerWaalsContact CA-OD2 3.29Å; R176-D179 WeakPolarHBondContact CA-OD2 2.99Å; R176-D179 WeakPolarHBondContact CD-OD2 3.16Å; R176-D179 IonicContact CZ-OD2 3.75Å; R176-D179 IonicContact NE-OD2 2.64Å; R176-D179 IonicContact NH1-OD2 3.23Å; R176-D179 WeakPolarHBondContact O-CB 3.13Å; R176-D179 PolarHBondContact O-N 3.33Å; D179-G181 VanDerWaalsContact C-N 3.27Å; D179-G181 PolarHBondContact O-N 2.95Å; D179-F182 PolarHBondContact O-N 2.95Å; D179-I183 WeakPolarHBondContact O-CB 3.47Å; D179-I183 VanDerWaalsContact O-CG1 3.26Å; D179-I183 WeakPolarHBondContact O-CG1 3.01Å; D179-I183 PolarHBondContact O-N 2.87Å
180I97.5Very high95.4Very high114 Ų11437.8 Ų37.859%0.58519%0.19SC*.Hα-helixtrans-56.7-44.1171.8-62.9167.1000110.5R176 I177 G178 L184R176-I180 PolarHBondContact O-N 2.52Å; I177-I180 WeakPolarHBondContact O-CB 3.45Å; I177-I180 PolarHBondContact O-N 2.91Å; G178-I180 PolarHBondContact O-N 2.95Å; I180-L184 WeakPolarHBondContact O-CB 3.41Å; I180-L184 PolarHBondContact O-N 3.24Å
181G96.4Very high95.3Very high0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-67-39.517700000112.9G178 D179 L184 A185 G215G178-G181 WeakPolarHBondContact O-CA 3.23Å; G178-G181 PolarHBondContact O-N 2.99Å; D179-G181 VanDerWaalsContact C-N 3.27Å; D179-G181 PolarHBondContact O-N 2.95Å; G181-L184 WeakPolarHBondContact O-CB 3.49Å; G181-L184 PolarHBondContact O-N 3.42Å; G181-A185 PolarHBondContact O-N 3.28Å; G181-A185 VanDerWaalsContact O-N 3.08Å; G181-G215 CarbonylContact C-O 3.57Å; G181-G215 VanDerWaalsContact CA-O 3.25Å; G181-G215 WeakPolarHBondContact CA-O 3.47Å; G181-G215 CarbonylContact O-C 3.29Å; G181-G215 VanDerWaalsContact O-C 3.29Å; G181-G215 VanDerWaalsContact O-CA 3.26Å; G181-G215 WeakPolarHBondContact O-CA 3.49Å
182F96.3Very high95.1Very high1 Ų148.8 Ų48.80%0.00425%0.246CC..Hα-helixtrans-65-46176.9-164.6-71.6000111.4L137 L140 F141 W144 G178 D179 L184 A185 L186 A219 L259L137-F182 HydrophobicContact CD2-CE1 4.43Å; L137-F182 HydrophobicContact CD2-CZ 3.92Å; L140-F182 HydrophobicContact CB-CZ 4.41Å; L140-F182 HydrophobicContact CD2-CE2 3.56Å; L140-F182 HydrophobicContact CD2-CZ 3.73Å; L140-F182 HydrophobicContact CG-CZ 4.48Å; F141-F182 HydrophobicContact CB-CD1 4.33Å; F141-F182 HydrophobicContact CB-CE1 3.74Å; F141-F182 HydrophobicContact CB-CZ 4.25Å; F141-F182 AromaticContact CD2-CD1 3.47Å; F141-F182 HydrophobicContact CD2-CD1 3.47Å; F141-F182 VanDerWaalsContact CD2-CD1 3.47Å; F141-F182 AromaticContact CD2-CE1 3.77Å; F141-F182 HydrophobicContact CD2-CE1 3.77Å; F141-F182 HydrophobicContact CD2-CG 4.07Å; F141-F182 HydrophobicContact CE2-CD1 4.2Å; F141-F182 HydrophobicContact CG-CD1 4.26Å; F141-F182 HydrophobicContact CG-CE1 4.16Å; W144-F182 HydrophobicContact CD2-CD2 4.3Å; W144-F182 HydrophobicContact CZ2-CD2 4.48Å; G178-F182 PolarHBondContact O-N 3.43Å; G178-F182 VanDerWaalsContact O-N 3.13Å; D179-F182 PolarHBondContact O-N 2.95Å; F182-L184 VanDerWaalsContact C-N 3.32Å; F182-L184 PolarHBondContact O-N 2.9Å; F182-A185 WeakPolarHBondContact O-CB 3.39Å; F182-A185 PolarHBondContact O-N 3.32Å; F182-L186 HydrophobicContact CD1-CD1 3.66Å; F182-L186 HydrophobicContact CD1-CG 3.89Å; F182-L186 HydrophobicContact CE1-CD1 3.63Å; F182-L186 HydrophobicContact CE1-CD2 4.22Å; F182-L186 HydrophobicContact CE1-CG 3.7Å; F182-L186 PolarHBondContact O-N 3.08Å; F182-A219 HydrophobicContact CB-CB 3.94Å; F182-A219 HydrophobicContact CD2-CB 4.29Å; F182-L259 HydrophobicContact CD2-CD1 3.43Å; F182-L259 VanDerWaalsContact CD2-CD1 3.43Å; F182-L259 HydrophobicContact CE2-CD1 3.34Å; F182-L259 HydrophobicContact CE2-CG 4.41Å
183I96.9Very high94.7Very high84 Ų8447.3 Ų47.343%0.43124%0.239SC..Hα-helixtrans-65.5-37.4178.5-66.5165.9000110.6F141 D179 A185 L186 A187F141-I183 HydrophobicContact CE2-CD1 4.46Å; F141-I183 HydrophobicContact CE2-CG1 4.1Å; F141-I183 HydrophobicContact CZ-CD1 4.16Å; F141-I183 HydrophobicContact CZ-CG1 4.16Å; D179-I183 WeakPolarHBondContact O-CB 3.47Å; D179-I183 VanDerWaalsContact O-CG1 3.26Å; D179-I183 WeakPolarHBondContact O-CG1 3.01Å; D179-I183 PolarHBondContact O-N 2.87Å; I183-A185 VanDerWaalsContact C-N 3.32Å; I183-A185 PolarHBondContact O-N 3.01Å; I183-L186 WeakPolarHBondContact O-CB 3.33Å; I183-L186 PolarHBondContact O-N 2.88Å; I183-A187 WeakPolarHBondContact O-CB 3.4Å; I183-A187 PolarHBondContact O-N 3.04Å
184L95.9Very high94.5Very high93 Ų9346.2 Ų46.249%0.48723%0.233SC..Hα-helixtrans-58.7-44.1172.5-178.669.1000111.4I180 G181 F182 A187 W188I180-L184 WeakPolarHBondContact O-CB 3.41Å; I180-L184 PolarHBondContact O-N 3.24Å; G181-L184 WeakPolarHBondContact O-CB 3.49Å; G181-L184 PolarHBondContact O-N 3.42Å; F182-L184 VanDerWaalsContact C-N 3.32Å; F182-L184 PolarHBondContact O-N 2.9Å; L184-A187 PolarHBondContact O-N 3.32Å; L184-W188 WeakPolarHBondContact O-CB 3.41Å; L184-W188 PolarHBondContact O-N 3.05Å
185A94.6Very high94.3Very high2 Ų245.7 Ų45.72%0.01723%0.232CC..Hα-helixtrans-64.8-44.4176.300000111.9G181 F182 I183 A187 W188 F189 P212 L216G181-A185 PolarHBondContact O-N 3.28Å; G181-A185 VanDerWaalsContact O-N 3.08Å; F182-A185 WeakPolarHBondContact O-CB 3.39Å; F182-A185 PolarHBondContact O-N 3.32Å; I183-A185 VanDerWaalsContact C-N 3.32Å; I183-A185 PolarHBondContact O-N 3.01Å; A185-A187 PolarHBondContact O-N 2.72Å; A185-W188 PolarHBondContact O-N 3.41Å; A185-F189 HydrophobicContact CB-CD2 4.38Å; A185-F189 HydrophobicContact CB-CE2 3.98Å; A185-F189 WeakPolarHBondContact O-CD2 3.26Å; A185-F189 VanDerWaalsContact O-CG 3.32Å; A185-F189 WeakPolarHBondContact O-CG 3.35Å; A185-F189 PolarHBondContact O-N 3.15Å; A185-P212 HydrophobicContact CB-CB 4.35Å; A185-L216 HydrophobicContact CB-CD2 3.87Å; A185-L216 HydrophobicContact CB-CG 3.92Å
186L94.6Very high94.1Very high20 Ų2048.1 Ų48.111%0.10524%0.241CC..Hα-helixtrans-55.7-48.1174-82.1171.8000112.5L137 F141 F182 I183 W188 F189 I190 W196L137-L186 HydrophobicContact CB-CD2 3.54Å; L137-L186 HydrophobicContact CD1-CD2 4.32Å; L137-L186 HydrophobicContact CG-CD2 4.47Å; F141-L186 HydrophobicContact CB-CD1 4.42Å; F141-L186 HydrophobicContact CD2-CD1 4.47Å; F141-L186 HydrophobicContact CG-CD1 4.34Å; F182-L186 HydrophobicContact CD1-CD1 3.66Å; F182-L186 HydrophobicContact CD1-CG 3.89Å; F182-L186 HydrophobicContact CE1-CD1 3.63Å; F182-L186 HydrophobicContact CE1-CD2 4.22Å; F182-L186 HydrophobicContact CE1-CG 3.7Å; F182-L186 PolarHBondContact O-N 3.08Å; I183-L186 WeakPolarHBondContact O-CB 3.33Å; I183-L186 PolarHBondContact O-N 2.88Å; L186-W188 VanDerWaalsContact C-N 3.33Å; L186-F189 PolarHBondContact O-N 2.86Å; L186-I190 PolarHBondContact O-N 2.95Å; L186-I190 VanDerWaalsContact O-N 3.08Å; L186-W196 HydrophobicContact CD2-CG 4.44Å
187A94.9Very high93.8Very high43 Ų4345.2 Ų45.236%0.35523%0.234SC..Hα-helixtrans-65-38.717900000111.4I183 L184 A185 I190 L191I183-A187 WeakPolarHBondContact O-CB 3.4Å; I183-A187 PolarHBondContact O-N 3.04Å; L184-A187 PolarHBondContact O-N 3.32Å; A185-A187 PolarHBondContact O-N 2.72Å; A187-I190 VanDerWaalsContact O-CG2 3.29Å; A187-I190 WeakPolarHBondContact O-CG2 3.43Å; A187-L191 WeakPolarHBondContact O-CB 3.44Å; A187-L191 WeakPolarHBondContact O-CD1 3.32Å; A187-L191 WeakPolarHBondContact O-CG 3.39Å; A187-L191 PolarHBondContact O-N 2.97Å
188W93.8Very high93.4Very high36 Ų3643.5 Ų43.514%0.13623%0.226CC..Hα-helixtrans-67.9-45.9177.4-167.887.9000111.9L184 A185 L186 I190 L191 H192 S209 T211 P212L184-W188 WeakPolarHBondContact O-CB 3.41Å; L184-W188 PolarHBondContact O-N 3.05Å; A185-W188 PolarHBondContact O-N 3.41Å; L186-W188 VanDerWaalsContact C-N 3.33Å; W188-I190 PolarHBondContact O-N 3.38Å; W188-L191 PolarHBondContact O-N 3.49Å; W188-H192 AromaticContact CD1-CD2 3.6Å; W188-H192 AromaticContact CD1-NE2 3.82Å; W188-H192 AromaticContact CD2-CD2 3.66Å; W188-H192 AromaticContact CE2-CD2 3.15Å; W188-H192 AromaticContact CE2-CG 3.86Å; W188-H192 AromaticContact CE2-NE2 3.7Å; W188-H192 AromaticContact CG-CD2 3.9Å; W188-H192 HydrophobicContact CH2-CB 4.05Å; W188-H192 HydrophobicContact CZ2-CB 4.05Å; W188-H192 AromaticContact CZ2-CD2 3.5Å; W188-H192 AromaticContact CZ2-CG 3.73Å; W188-H192 HydrophobicContact CZ3-CB 4.33Å; W188-H192 AromaticContact NE1-CD2 3.16Å; W188-H192 PolarHBondContact NE1-CD2 3.48Å; W188-H192 AromaticContact NE1-NE2 3.26Å; W188-H192 PolarHBondContact NE1-NE2 3.27Å; W188-H192 PolarHBondContact O-CD2 2.97Å; W188-H192 PolarHBondContact O-N 3.26Å; W188-H192 VanDerWaalsContact O-N 3.1Å; W188-S209 WeakPolarHBondContact CH2-OG 3.12Å; W188-S209 WeakPolarHBondContact CZ2-OG 3.36Å; W188-S209 PolarHBondContact NE1-OG 2.86Å; W188-T211 PolarHBondContact NE1-OG1 3.17Å; W188-P212 HydrophobicContact CB-CB 4.32Å; W188-P212 HydrophobicContact CD2-CB 4.05Å; W188-P212 HydrophobicContact CD2-CG 3.73Å; W188-P212 HydrophobicContact CE3-CB 3.75Å; W188-P212 HydrophobicContact CE3-CG 3.47Å; W188-P212 VanDerWaalsContact CE3-CG 3.47Å; W188-P212 HydrophobicContact CG-CB 4.27Å; W188-P212 HydrophobicContact CG-CG 4.31Å; W188-P212 HydrophobicContact CH2-CG 4.43Å; W188-P212 HydrophobicContact CZ3-CB 4.49Å; W188-P212 HydrophobicContact CZ3-CG 3.83Å
189F92.6Very high93Very high1 Ų145.9 Ų45.90%0.00424%0.237CC..Hα-helixtrans-64.2-39.4180-66.1-46.7000112.5L137 A185 L186 S193 N194 V201 P212 L216 F263 L266L137-F189 HydrophobicContact CD1-CD2 3.36Å; L137-F189 HydrophobicContact CD1-CE2 3.83Å; L137-F189 HydrophobicContact CD1-CG 4.27Å; A185-F189 HydrophobicContact CB-CD2 4.38Å; A185-F189 HydrophobicContact CB-CE2 3.98Å; A185-F189 WeakPolarHBondContact O-CD2 3.26Å; A185-F189 VanDerWaalsContact O-CG 3.32Å; A185-F189 WeakPolarHBondContact O-CG 3.35Å; A185-F189 PolarHBondContact O-N 3.15Å; L186-F189 PolarHBondContact O-N 2.86Å; F189-S193 WeakPolarHBondContact O-CA 3.4Å; F189-S193 PolarHBondContact O-N 3.43Å; F189-S193 PolarHBondContact O-OG 2.78Å; F189-N194 PolarHBondContact O-N 3.09Å; F189-V201 HydrophobicContact CB-CG2 4.32Å; F189-V201 HydrophobicContact CD1-CB 4.46Å; F189-V201 HydrophobicContact CD1-CG1 3.36Å; F189-V201 HydrophobicContact CD1-CG2 4.19Å; F189-V201 HydrophobicContact CE1-CG1 3.34Å; F189-V201 HydrophobicContact CG-CG1 4.15Å; F189-V201 HydrophobicContact CG-CG2 4.24Å; F189-V201 HydrophobicContact CZ-CG1 4.05Å; F189-P212 HydrophobicContact CD1-CB 4.5Å; F189-P212 HydrophobicContact CE1-CB 3.77Å; F189-P212 HydrophobicContact CE1-CG 4.16Å; F189-P212 HydrophobicContact CE2-CB 4.35Å; F189-P212 HydrophobicContact CZ-CB 3.7Å; F189-P212 HydrophobicContact CZ-CG 4.46Å; F189-L216 HydrophobicContact CE2-CD1 4.45Å; F189-L216 HydrophobicContact CZ-CD1 4.29Å; F189-F263 HydrophobicContact CE2-CE1 4.32Å; F189-F263 HydrophobicContact CZ-CE1 4.44Å; F189-L266 HydrophobicContact CE1-CD1 4.09Å; F189-L266 HydrophobicContact CZ-CD1 3.98Å
190I91.9Very high92.6Very high44 Ų4450 Ų5023%0.22626%0.257CS..Hα-helixtrans-66.3-40.7177.4-159.463.2000112T74 L186 A187 W188 N194 W196T74-I190 HydrophobicContact CG2-CD1 3.5Å; L186-I190 PolarHBondContact O-N 2.95Å; L186-I190 VanDerWaalsContact O-N 3.08Å; A187-I190 VanDerWaalsContact O-CG2 3.29Å; A187-I190 WeakPolarHBondContact O-CG2 3.43Å; W188-I190 PolarHBondContact O-N 3.38Å; I190-N194 VanDerWaalsContact O-CA 3.3Å; I190-N194 WeakPolarHBondContact O-CA 3.35Å; I190-N194 PolarHBondContact O-N 3.48Å; I190-W196 HydrophobicContact CD1-CZ2 4.32Å; I190-W196 HydrophobicContact CG1-CZ2 4.43Å
191L92Very high92.2Very high142 Ų14244.5 Ų44.574%0.74323%0.229SC*.Hα-helixtrans-69.1-36.7-178.1-71.7170.6000112.8A187 W188A187-L191 WeakPolarHBondContact O-CB 3.44Å; A187-L191 WeakPolarHBondContact O-CD1 3.32Å; A187-L191 WeakPolarHBondContact O-CG 3.39Å; A187-L191 PolarHBondContact O-N 2.97Å; W188-L191 PolarHBondContact O-N 3.49Å
192H90.1Very high91.7Very high123 Ų12346.1 Ų46.157%0.56924%0.242SC*.Hα-helixtrans-101.3-36.6-173.3-71.3-72.9000114.6W188W188-H192 AromaticContact CD1-CD2 3.6Å; W188-H192 AromaticContact CD1-NE2 3.82Å; W188-H192 AromaticContact CD2-CD2 3.66Å; W188-H192 AromaticContact CE2-CD2 3.15Å; W188-H192 AromaticContact CE2-CG 3.86Å; W188-H192 AromaticContact CE2-NE2 3.7Å; W188-H192 AromaticContact CG-CD2 3.9Å; W188-H192 HydrophobicContact CH2-CB 4.05Å; W188-H192 HydrophobicContact CZ2-CB 4.05Å; W188-H192 AromaticContact CZ2-CD2 3.5Å; W188-H192 AromaticContact CZ2-CG 3.73Å; W188-H192 HydrophobicContact CZ3-CB 4.33Å; W188-H192 AromaticContact NE1-CD2 3.16Å; W188-H192 PolarHBondContact NE1-CD2 3.48Å; W188-H192 AromaticContact NE1-NE2 3.26Å; W188-H192 PolarHBondContact NE1-NE2 3.27Å; W188-H192 PolarHBondContact O-CD2 2.97Å; W188-H192 PolarHBondContact O-N 3.26Å; W188-H192 VanDerWaalsContact O-N 3.1Å
193S88.4Confident91.3Very high6 Ų653.2 Ų53.24%0.04228%0.279CS..Hα-helixtrans-109.8-2.4-176.163.80000113.9F189 S195F189-S193 WeakPolarHBondContact O-CA 3.4Å; F189-S193 PolarHBondContact O-N 3.43Å; F189-S193 PolarHBondContact O-OG 2.78Å; S193-S195 PolarHBondContact O-N 3.49Å; S193-S195 PolarHBondContact O-OG 3.43Å
194N91.8Very high90.7Very high77 Ų7754.1 Ų54.141%0.41228%0.284SS..SBendtrans47.729.8-179.2-161.826.6000114.1T73 T74 F189 I190T73-N194 WeakPolarHBondContact CB-ND2 2.94Å; T73-N194 PolarHBondContact OG1-ND2 3.01Å; T73-N194 PolarHBondContact OG1-OD1 3.23Å; T74-N194 VanDerWaalsContact CG2-O 3.26Å; T74-N194 WeakPolarHBondContact CG2-O 3.41Å; T74-N194 VanDerWaalsContact CG2-OD1 3.32Å; T74-N194 WeakPolarHBondContact CG2-OD1 3.35Å; F189-N194 PolarHBondContact O-N 3.09Å; I190-N194 VanDerWaalsContact O-CA 3.3Å; I190-N194 WeakPolarHBondContact O-CA 3.35Å; I190-N194 PolarHBondContact O-N 3.48Å
195S90.8Very high89.7Confident7 Ų750.9 Ų50.95%0.04927%0.267CS..  trans-153153.1-175.656.10000110.6S193 Q200S193-S195 PolarHBondContact O-N 3.49Å; S193-S195 PolarHBondContact O-OG 3.43Å; S195-Q200 VanDerWaalsContact OG-CD 3.27Å; S195-Q200 WeakPolarHBondContact OG-CG 3.49Å
196W91.3Very high88.4Confident50 Ų5053.9 Ų53.919%0.18929%0.292CS..  trans-111.16.3175.1-74.4-18.7000112.5L76 L137 F138 L186 I190L76-W196 HydrophobicContact CD1-CZ3 3.87Å; L76-W196 HydrophobicContact CD2-CD2 4.4Å; L76-W196 HydrophobicContact CD2-CE3 3.26Å; L76-W196 HydrophobicContact CD2-CH2 4.41Å; L76-W196 HydrophobicContact CD2-CZ3 3.28Å; L76-W196 HydrophobicContact CG-CZ3 4.22Å; L137-W196 HydrophobicContact CB-CB 4.15Å; L137-W196 WeakPolarHBondContact CB-O 3.49Å; L137-W196 WeakPolarHBondContact CG-O 3.49Å; L137-W196 PolarHBondContact N-O 3.49Å; F138-W196 HydrophobicContact CB-CD2 4.45Å; F138-W196 HydrophobicContact CB-CE3 3.57Å; F138-W196 HydrophobicContact CB-CZ3 3.73Å; F138-W196 HydrophobicContact CD2-CH2 4.49Å; F138-W196 HydrophobicContact CD2-CZ3 4.05Å; F138-W196 HydrophobicContact CG-CE3 4.34Å; F138-W196 AromaticContact CG-CZ3 3.99Å; F138-W196 HydrophobicContact CG-CZ3 3.99Å; L186-W196 HydrophobicContact CD2-CG 4.44Å; I190-W196 HydrophobicContact CD1-CZ2 4.32Å; I190-W196 HydrophobicContact CG1-CZ2 4.43Å
197D91.5Very high87.4Confident46 Ų4660.2 Ų60.225%0.24633%0.326CS..  trans-91.4119.2-177.4-69.210.2000108.5N136 Q199 Q200 V201N136-D197 PolarHBondContact OD1-OD1 3.03Å; D197-Q199 PolarHBondContact O-N 2.93Å; D197-Q199 VanDerWaalsContact O-N 3.13Å; D197-Q200 HydrophobicContact CB-CB 4.38Å; D197-Q200 PolarHBondContact O-N 3.36Å; D197-V201 WeakPolarHBondContact O-CG2 3.48Å; D197-V201 PolarHBondContact O-N 2.9Å
198P87.4Confident86.4Confident21 Ų2159.1 Ų59.114%0.13632%0.316CS..Hα-helixtrans-60.9-28.6-172.924.7-33.6000112.2N135 A202 F263N135-P198 WeakPolarHBondContact O-CD 3.37Å; N135-P198 WeakPolarHBondContact O-CG 3.41Å; P198-A202 VanDerWaalsContact O-CB 3.23Å; P198-A202 WeakPolarHBondContact O-CB 3.49Å; P198-A202 PolarHBondContact O-N 3.26Å; P198-F263 HydrophobicContact CB-CE1 3.74Å; P198-F263 HydrophobicContact CB-CZ 4.04Å
199Q87.3Confident85.9Confident50 Ų5059.2 Ų59.223%0.23432%0.321CS..Hα-helixtrans-63.6-48.6174.6-62.287-16.400111.6N135 D197 V201 A202 L203N135-Q199 PolarHBondContact OD1-NE2 2.96Å; N135-Q199 PolarHBondContact OD1-OE1 3.4Å; N135-Q199 VanDerWaalsContact OD1-OE1 3.07Å; D197-Q199 PolarHBondContact O-N 2.93Å; D197-Q199 VanDerWaalsContact O-N 3.13Å; Q199-V201 VanDerWaalsContact C-N 3.35Å; Q199-A202 PolarHBondContact O-N 3.15Å; Q199-L203 VanDerWaalsContact O-CG 3.27Å; Q199-L203 WeakPolarHBondContact O-CG 3.45Å; Q199-L203 PolarHBondContact O-N 3.31Å
200Q88.7Confident85.8Confident89 Ų8962.3 Ų62.342%0.41634%0.338SS..Hα-helixtrans-67.3-41-179.5-174.6175.7-6.500110.7S195 D197 A202 L203 L204S195-Q200 VanDerWaalsContact OG-CD 3.27Å; S195-Q200 WeakPolarHBondContact OG-CG 3.49Å; D197-Q200 HydrophobicContact CB-CB 4.38Å; D197-Q200 PolarHBondContact O-N 3.36Å; Q200-A202 VanDerWaalsContact C-N 3.34Å; Q200-A202 PolarHBondContact O-N 3.05Å; Q200-L203 PolarHBondContact O-N 3.22Å; Q200-L204 HydrophobicContact CG-CD1 3.81Å; Q200-L204 HydrophobicContact CG-CG 4.42Å; Q200-L204 WeakPolarHBondContact O-CB 3.34Å; Q200-L204 WeakPolarHBondContact O-CG 3.06Å; Q200-L204 PolarHBondContact O-N 3.3Å
201V88.9Confident85.9Confident0 Ų063.4 Ų63.40%035%0.347CS..Hα-helixtrans-59.2-45.1174.9175.90000111.2F189 D197 Q199 N205 L266F189-V201 HydrophobicContact CB-CG2 4.32Å; F189-V201 HydrophobicContact CD1-CB 4.46Å; F189-V201 HydrophobicContact CD1-CG1 3.36Å; F189-V201 HydrophobicContact CD1-CG2 4.19Å; F189-V201 HydrophobicContact CE1-CG1 3.34Å; F189-V201 HydrophobicContact CG-CG1 4.15Å; F189-V201 HydrophobicContact CG-CG2 4.24Å; F189-V201 HydrophobicContact CZ-CG1 4.05Å; D197-V201 WeakPolarHBondContact O-CG2 3.48Å; D197-V201 PolarHBondContact O-N 2.9Å; Q199-V201 VanDerWaalsContact C-N 3.35Å; V201-N205 WeakPolarHBondContact O-CB 3.35Å; V201-N205 PolarHBondContact O-N 2.95Å; V201-N205 VanDerWaalsContact O-N 3.11Å; V201-N205 PolarHBondContact O-ND2 2.73Å; V201-L266 HydrophobicContact CG1-CD1 3.81Å; V201-L266 HydrophobicContact CG1-CD2 4.43Å
202A86.5Confident86Confident34 Ų3456.7 Ų56.728%0.28131%0.312SS..Hα-helixtrans-66.8-38.2179.500000112.7P198 Q199 Q200 P265 L266P198-A202 VanDerWaalsContact O-CB 3.23Å; P198-A202 WeakPolarHBondContact O-CB 3.49Å; P198-A202 PolarHBondContact O-N 3.26Å; Q199-A202 PolarHBondContact O-N 3.15Å; Q200-A202 VanDerWaalsContact C-N 3.34Å; Q200-A202 PolarHBondContact O-N 3.05Å; A202-P265 HydrophobicContact CB-CB 4.38Å; A202-L266 HydrophobicContact CB-CD2 4.42Å
203L86.8Confident86.1Confident149 Ų14951.1 Ų51.178%0.7829%0.286SS*.Hα-helixtrans-69.2-40.4178.4-72.7167.1000112.7Q199 Q200Q199-L203 VanDerWaalsContact O-CG 3.27Å; Q199-L203 WeakPolarHBondContact O-CG 3.45Å; Q199-L203 PolarHBondContact O-N 3.31Å; Q200-L203 PolarHBondContact O-N 3.22Å
204L84.9Confident86.5Confident104 Ų10454.2 Ų54.255%0.54530%0.302SS..Hα-helixtrans-78-31.8-177.2-69172.3000112.8Q200 A206Q200-L204 HydrophobicContact CG-CD1 3.81Å; Q200-L204 HydrophobicContact CG-CG 4.42Å; Q200-L204 WeakPolarHBondContact O-CB 3.34Å; Q200-L204 WeakPolarHBondContact O-CG 3.06Å; Q200-L204 PolarHBondContact O-N 3.3Å; L204-A206 PolarHBondContact O-N 3.06Å
205N75.5Confident86.7Confident24 Ų2450.6 Ų50.613%0.12828%0.283CS..  trans-102.370.6-174.3-66.7-42.5000112.1V201 N207 L266V201-N205 WeakPolarHBondContact O-CB 3.35Å; V201-N205 PolarHBondContact O-N 2.95Å; V201-N205 VanDerWaalsContact O-N 3.11Å; V201-N205 PolarHBondContact O-ND2 2.73Å; N205-N207 PolarHBondContact O-N 3.09Å; N205-L266 HydrophobicContact CB-CD2 4.16Å
206A67.9Low87Confident65 Ų6550.3 Ų50.354%0.53728%0.281SS..SBendtrans-58.3-36.8172.700000112.1L204 P208 N269L204-A206 PolarHBondContact O-N 3.06Å; A206-P208 WeakPolarHBondContact O-CD 3.32Å; A206-N269 PolarHBondContact O-ND2 2.89Å
207N73.5Confident87.2Confident154 Ų15448.9 Ų48.982%0.82428%0.277SS*.SBendtrans-114.788.1172.2-70-17.7000109.6N205 S209N205-N207 PolarHBondContact O-N 3.09Å; N207-S209 PolarHBondContact O-N 2.96Å
208P73.3Confident87.5Confident20 Ų2049.9 Ų49.913%0.1328%0.282CS..  trans-66.2137.7-177.424.4-29.3000110.4A206 L213 L266 N269A206-P208 WeakPolarHBondContact O-CD 3.32Å; P208-L213 HydrophobicContact CB-CD1 4.01Å; P208-L213 HydrophobicContact CG-CD1 4.04Å; P208-L266 HydrophobicContact CB-CD2 4.33Å; P208-L266 VanDerWaalsContact CG-O 3.24Å; P208-L266 WeakPolarHBondContact CG-O 3.31Å; P208-N269 HydrophobicContact CG-CB 4.32Å
209S82.9Confident88Confident37 Ų3748.9 Ų48.926%0.25928%0.275SS..  trans-66.8153.3169.872.30000110.1W188 N207 T211 P212W188-S209 WeakPolarHBondContact CH2-OG 3.12Å; W188-S209 WeakPolarHBondContact CZ2-OG 3.36Å; W188-S209 PolarHBondContact NE1-OG 2.86Å; N207-S209 PolarHBondContact O-N 2.96Å; S209-T211 VanDerWaalsContact C-N 3.27Å; S209-T211 PolarHBondContact O-N 3.37Å; S209-T211 PolarHBondContact OG-OG1 3.28Å; S209-P212 VanDerWaalsContact O-CD 3.3Å; S209-P212 WeakPolarHBondContact O-CD 3.34Å; S209-P212 WeakPolarHBondContact O-CG 3.12Å; S209-P212 WeakPolarHBondContact OG-CD 3.33Å
210L91.5Very high88.4Confident67 Ų6746.5 Ų46.535%0.35126%0.264SS..Hα-helixtrans-65.9-30.1-178.817961.9000112.7L213 L214 L272 I273L210-L213 PolarHBondContact O-N 3.32Å; L210-L214 HydrophobicContact CD1-CD1 4.1Å; L210-L214 HydrophobicContact CD1-CD2 4.31Å; L210-L214 HydrophobicContact CD1-CG 3.85Å; L210-L214 HydrophobicContact CD2-CD1 3.97Å; L210-L214 HydrophobicContact CG-CD1 3.62Å; L210-L214 HydrophobicContact CG-CG 3.87Å; L210-L214 WeakPolarHBondContact O-CG 3.49Å; L210-L214 PolarHBondContact O-N 3.26Å; L210-L272 HydrophobicContact CD1-CD2 3.78Å; L210-L272 HydrophobicContact CD1-CG 4.42Å; L210-L272 HydrophobicContact CD2-CD2 3.7Å; L210-L272 HydrophobicContact CG-CD2 4.42Å; L210-I273 HydrophobicContact CD1-CD1 3.13Å; L210-I273 HydrophobicContact CD1-CG1 3.92Å
211T92.9Very high88.8Confident67 Ų6742.5 Ų42.541%0.41125%0.246SC..Hα-helixtrans-63.2-51.5-170.346.30000115.2W188 S209 L213 L214 G215W188-T211 PolarHBondContact NE1-OG1 3.17Å; S209-T211 VanDerWaalsContact C-N 3.27Å; S209-T211 PolarHBondContact O-N 3.37Å; S209-T211 PolarHBondContact OG-OG1 3.28Å; T211-L213 VanDerWaalsContact C-N 3.29Å; T211-L213 PolarHBondContact O-N 3.35Å; T211-L214 PolarHBondContact O-N 2.75Å; T211-G215 PolarHBondContact O-N 3.46Å
212P93.6Very high89.1Confident1 Ų142.5 Ų42.51%0.00625%0.246CC..Hα-helixtrans-63.3-37.1176.828.4-38.1000111.4A185 W188 F189 S209 G215 L216A185-P212 HydrophobicContact CB-CB 4.35Å; W188-P212 HydrophobicContact CB-CB 4.32Å; W188-P212 HydrophobicContact CD2-CB 4.05Å; W188-P212 HydrophobicContact CD2-CG 3.73Å; W188-P212 HydrophobicContact CE3-CB 3.75Å; W188-P212 HydrophobicContact CE3-CG 3.47Å; W188-P212 VanDerWaalsContact CE3-CG 3.47Å; W188-P212 HydrophobicContact CG-CB 4.27Å; W188-P212 HydrophobicContact CG-CG 4.31Å; W188-P212 HydrophobicContact CH2-CG 4.43Å; W188-P212 HydrophobicContact CZ3-CB 4.49Å; W188-P212 HydrophobicContact CZ3-CG 3.83Å; F189-P212 HydrophobicContact CD1-CB 4.5Å; F189-P212 HydrophobicContact CE1-CB 3.77Å; F189-P212 HydrophobicContact CE1-CG 4.16Å; F189-P212 HydrophobicContact CE2-CB 4.35Å; F189-P212 HydrophobicContact CZ-CB 3.7Å; F189-P212 HydrophobicContact CZ-CG 4.46Å; S209-P212 VanDerWaalsContact O-CD 3.3Å; S209-P212 WeakPolarHBondContact O-CD 3.34Å; S209-P212 WeakPolarHBondContact O-CG 3.12Å; S209-P212 WeakPolarHBondContact OG-CD 3.33Å; P212-G215 PolarHBondContact O-N 2.73Å; P212-L216 VanDerWaalsContact O-CG 3.29Å; P212-L216 WeakPolarHBondContact O-CG 3.2Å; P212-L216 PolarHBondContact O-N 3.1Å
213L93.9Very high89.5Confident6 Ų640.9 Ų40.93%0.03123%0.233CC..Hα-helixtrans-69.6-38.3-179.5-66171.8000112.2P208 L210 T211 G215 L216 L217 L266 S270 I273P208-L213 HydrophobicContact CB-CD1 4.01Å; P208-L213 HydrophobicContact CG-CD1 4.04Å; L210-L213 PolarHBondContact O-N 3.32Å; T211-L213 VanDerWaalsContact C-N 3.29Å; T211-L213 PolarHBondContact O-N 3.35Å; L213-G215 VanDerWaalsContact C-N 3.33Å; L213-L216 HydrophobicContact CD2-CD1 4.38Å; L213-L216 PolarHBondContact O-N 3.37Å; L213-L217 WeakPolarHBondContact O-CB 3.18Å; L213-L217 PolarHBondContact O-N 3.2Å; L213-L266 HydrophobicContact CD2-CB 3.94Å; L213-S270 VanDerWaalsContact CD1-OG 3.29Å; L213-S270 WeakPolarHBondContact CD1-OG 3.47Å; L213-I273 HydrophobicContact CB-CD1 4.47Å; L213-I273 HydrophobicContact CB-CG1 3.61Å; L213-I273 HydrophobicContact CB-CG2 4.33Å; L213-I273 HydrophobicContact CD1-CD1 4.19Å; L213-I273 HydrophobicContact CD1-CG1 3.86Å; L213-I273 HydrophobicContact CG-CG1 4.35Å
214L95.8Very high89.9Confident70 Ų7033.8 Ų33.837%0.36620%0.196SC..Hα-helixtrans-63.3-39.5169.6-74.9177.6000111.8L210 T211 L217 L218 L276L210-L214 HydrophobicContact CD1-CD1 4.1Å; L210-L214 HydrophobicContact CD1-CD2 4.31Å; L210-L214 HydrophobicContact CD1-CG 3.85Å; L210-L214 HydrophobicContact CD2-CD1 3.97Å; L210-L214 HydrophobicContact CG-CD1 3.62Å; L210-L214 HydrophobicContact CG-CG 3.87Å; L210-L214 WeakPolarHBondContact O-CG 3.49Å; L210-L214 PolarHBondContact O-N 3.26Å; T211-L214 PolarHBondContact O-N 2.75Å; L214-L217 PolarHBondContact O-N 3.48Å; L214-L218 WeakPolarHBondContact O-CB 3.43Å; L214-L218 PolarHBondContact O-N 3.05Å; L214-L276 HydrophobicContact CD2-CD1 3.78Å
215G96.2Very high90.3Very high2 Ų228.9 Ų28.92%0.02117%0.17CC..Hα-helixtrans-60.6-46.8173.600000112.5G181 T211 P212 L213 L217 L218 A219G181-G215 CarbonylContact C-O 3.57Å; G181-G215 VanDerWaalsContact CA-O 3.25Å; G181-G215 WeakPolarHBondContact CA-O 3.47Å; G181-G215 CarbonylContact O-C 3.29Å; G181-G215 VanDerWaalsContact O-C 3.29Å; G181-G215 VanDerWaalsContact O-CA 3.26Å; G181-G215 WeakPolarHBondContact O-CA 3.49Å; T211-G215 PolarHBondContact O-N 3.46Å; P212-G215 PolarHBondContact O-N 2.73Å; L213-G215 VanDerWaalsContact C-N 3.33Å; G215-L217 VanDerWaalsContact C-N 3.35Å; G215-L217 PolarHBondContact O-N 3.42Å; G215-L218 PolarHBondContact O-N 3.46Å; G215-A219 WeakPolarHBondContact O-CB 3.26Å; G215-A219 PolarHBondContact O-N 3.47Å
216L95.9Very high91.3Very high1 Ų127.8 Ų27.81%0.00516%0.164CC..Hα-helixtrans-64.2-37.8175.6-67171.3000111.9A185 F189 P212 L213 A219 A220 L259 L260 F263A185-L216 HydrophobicContact CB-CD2 3.87Å; A185-L216 HydrophobicContact CB-CG 3.92Å; F189-L216 HydrophobicContact CE2-CD1 4.45Å; F189-L216 HydrophobicContact CZ-CD1 4.29Å; P212-L216 VanDerWaalsContact O-CG 3.29Å; P212-L216 WeakPolarHBondContact O-CG 3.2Å; P212-L216 PolarHBondContact O-N 3.1Å; L213-L216 HydrophobicContact CD2-CD1 4.38Å; L213-L216 PolarHBondContact O-N 3.37Å; L216-A219 PolarHBondContact O-N 3.41Å; L216-A220 WeakPolarHBondContact O-CB 3.38Å; L216-A220 PolarHBondContact O-N 3.46Å; L216-L259 HydrophobicContact CB-CD2 3.82Å; L216-L259 HydrophobicContact CD2-CD1 4.26Å; L216-L259 HydrophobicContact CD2-CD2 3.56Å; L216-L259 HydrophobicContact CD2-CG 4.19Å; L216-L259 HydrophobicContact CG-CD2 4.17Å; L216-L260 HydrophobicContact CB-CD2 4.16Å; L216-F263 HydrophobicContact CD1-CB 4.01Å; L216-F263 HydrophobicContact CD1-CD1 4.29Å; L216-F263 HydrophobicContact CD1-CD2 3.84Å; L216-F263 HydrophobicContact CD1-CE2 4.48Å; L216-F263 HydrophobicContact CD1-CG 3.76Å; L216-F263 HydrophobicContact CD2-CD2 4.1Å; L216-F263 HydrophobicContact CD2-CE2 4.22Å
217L96.8Very high92.6Very high20 Ų2027.7 Ų27.711%0.10515%0.154CC..Hα-helixtrans-64.5-41.7174.4-174.8151.4000111.6L213 L214 G215 A220 A221 L276 T277 L280 M314L213-L217 WeakPolarHBondContact O-CB 3.18Å; L213-L217 PolarHBondContact O-N 3.2Å; L214-L217 PolarHBondContact O-N 3.48Å; G215-L217 VanDerWaalsContact C-N 3.35Å; G215-L217 PolarHBondContact O-N 3.42Å; L217-A220 PolarHBondContact O-N 3.02Å; L217-A221 VanDerWaalsContact O-CB 3.3Å; L217-A221 WeakPolarHBondContact O-CB 3.35Å; L217-A221 PolarHBondContact O-N 3.32Å; L217-L276 HydrophobicContact CD1-CB 4.03Å; L217-T277 HydrophobicContact CD1-CG2 3.49Å; L217-T277 VanDerWaalsContact CD1-CG2 3.49Å; L217-T277 HydrophobicContact CG-CG2 4.32Å; L217-L280 HydrophobicContact CD2-CD1 4.4Å; L217-M314 HydrophobicContact CD1-CE 4.45Å; L217-M314 HydrophobicContact CG-CE 4.17Å
218L97.4Very high93.6Very high66 Ų6621.3 Ų21.335%0.34613%0.125SC..Hα-helixtrans-65-42.7175-177.166.2000111.4L214 G215 A220 A221 G222 L229L214-L218 WeakPolarHBondContact O-CB 3.43Å; L214-L218 PolarHBondContact O-N 3.05Å; G215-L218 PolarHBondContact O-N 3.46Å; L218-A220 PolarHBondContact O-N 3.47Å; L218-A221 PolarHBondContact O-N 2.87Å; L218-G222 PolarHBondContact O-N 3.13Å; L218-L229 HydrophobicContact CD1-CD1 4.39Å
219A97Very high94.6Very high0 Ų021.3 Ų21.30%012%0.124CC..Hα-helixtrans-59.2-47.5174.800000111.3W144 G178 F182 G215 L216 A221 G222 K223 L259W144-A219 HydrophobicContact CH2-CB 4.06Å; W144-A219 WeakPolarHBondContact CH2-O 3.45Å; W144-A219 HydrophobicContact CZ2-CB 3.84Å; W144-A219 WeakPolarHBondContact CZ2-O 3.03Å; G178-A219 VanDerWaalsContact O-CA 3.3Å; G178-A219 WeakPolarHBondContact O-CA 3.3Å; G178-A219 WeakPolarHBondContact O-CB 3.32Å; F182-A219 HydrophobicContact CB-CB 3.94Å; F182-A219 HydrophobicContact CD2-CB 4.29Å; G215-A219 WeakPolarHBondContact O-CB 3.26Å; G215-A219 PolarHBondContact O-N 3.47Å; L216-A219 PolarHBondContact O-N 3.41Å; A219-A221 PolarHBondContact O-N 3.22Å; A219-G222 PolarHBondContact O-N 3.04Å; A219-K223 PolarHBondContact O-N 2.83Å; A219-L259 HydrophobicContact CB-CD1 4.34Å
220A96.4Very high95.2Very high0 Ų020 Ų200%011%0.113CC..Hα-helixtrans-61.5-43.1175.300000111.7L216 L217 L218 G222 S224 G256 L260L216-A220 WeakPolarHBondContact O-CB 3.38Å; L216-A220 PolarHBondContact O-N 3.46Å; L217-A220 PolarHBondContact O-N 3.02Å; L218-A220 PolarHBondContact O-N 3.47Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 3.04Å; A220-S224 VanDerWaalsContact O-CB 3.28Å; A220-S224 WeakPolarHBondContact O-CB 3.31Å; A220-S224 PolarHBondContact O-N 3.09Å; A220-S224 PolarHBondContact O-OG 2.97Å; A220-G256 VanDerWaalsContact CB-O 3.26Å; A220-G256 WeakPolarHBondContact CB-O 3.33Å; A220-L260 HydrophobicContact CB-CD1 3.48Å; A220-L260 VanDerWaalsContact CB-CD1 3.48Å; A220-L260 HydrophobicContact CB-CD2 4.34Å; A220-L260 HydrophobicContact CB-CG 3.72Å
221A96.7Very high95.4Very high5 Ų517 Ų174%0.04110%0.099CC..Hα-helixtrans-60.8-39.5179.100000112.6L217 L218 A219 A225 Q226 L229L217-A221 VanDerWaalsContact O-CB 3.3Å; L217-A221 WeakPolarHBondContact O-CB 3.35Å; L217-A221 PolarHBondContact O-N 3.32Å; L218-A221 PolarHBondContact O-N 2.87Å; A219-A221 PolarHBondContact O-N 3.22Å; A221-A225 PolarHBondContact O-N 3.43Å; A221-Q226 HydrophobicContact CB-CB 4.04Å; A221-Q226 HydrophobicContact CB-CG 4.36Å; A221-Q226 PolarHBondContact O-N 3.16Å; A221-L229 HydrophobicContact CB-CD1 4.45Å
222G95.3Very high95.5Very high0 Ų013.9 Ų13.90%08%0.079CC..Hα-helixtrans-64.7-60.5176.400000112.7L218 A219 A220 S224 A225 W232L218-G222 PolarHBondContact O-N 3.13Å; A219-G222 PolarHBondContact O-N 3.04Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 3.04Å; G222-S224 PolarHBondContact O-N 3.39Å; G222-A225 PolarHBondContact O-N 3.35Å; G222-W232 PolarHBondContact O-NE1 2.54Å; G222-W232 VanDerWaalsContact O-NE1 3.09Å
223K94.8Very high95.5Very high1 Ų113.9 Ų13.90%0.0048%0.079CC..Hα-helixtrans-70.1-30.3-176.7-72.8-73.1175.1167.80113.8W144 N175 A219 A225 W232 V253W144-K223 HydrophobicContact CD2-CG 4.07Å; W144-K223 VanDerWaalsContact CE2-CE 3.48Å; W144-K223 VanDerWaalsContact CE2-CG 3.45Å; W144-K223 HydrophobicContact CE3-CG 4.28Å; W144-K223 HydrophobicContact CH2-CB 3.74Å; W144-K223 HydrophobicContact CH2-CG 3.36Å; W144-K223 HydrophobicContact CZ2-CB 3.94Å; W144-K223 HydrophobicContact CZ2-CD 4.2Å; W144-K223 HydrophobicContact CZ2-CG 3.09Å; W144-K223 HydrophobicContact CZ3-CB 4.32Å; W144-K223 HydrophobicContact CZ3-CG 3.95Å; W144-K223 VanDerWaalsContact NE1-CE 3.25Å; W144-K223 PolarHBondContact O-NZ 3.05Å; N175-K223 HydrophobicContact CB-CD 4.38Å; N175-K223 WeakPolarHBondContact OD1-CD 3.43Å; A219-K223 PolarHBondContact O-N 2.83Å; K223-A225 VanDerWaalsContact C-N 3.34Å; K223-W232 WeakPolarHBondContact O-CZ2 3.41Å; K223-V253 WeakPolarHBondContact O-CA 3.34Å
224S95Very high95.5Very high0 Ų014 Ų140%08%0.08CC..THydrogen-bonded Turntrans-92.410.2179.971.10000114.5A220 G222 Q226 V253A220-S224 VanDerWaalsContact O-CB 3.28Å; A220-S224 WeakPolarHBondContact O-CB 3.31Å; A220-S224 PolarHBondContact O-N 3.09Å; A220-S224 PolarHBondContact O-OG 2.97Å; G222-S224 PolarHBondContact O-N 3.39Å; S224-Q226 VanDerWaalsContact C-N 3.35Å; S224-Q226 PolarHBondContact O-N 2.91Å; S224-Q226 VanDerWaalsContact OG-CG 3.29Å; S224-Q226 WeakPolarHBondContact OG-CG 3.47Å; S224-Q226 PolarHBondContact OG-NE2 3.1Å; S224-V253 VanDerWaalsContact CA-O 3.32Å; S224-V253 WeakPolarHBondContact CA-O 3.34Å; S224-V253 WeakPolarHBondContact CB-O 3.34Å
225A93.7Very high95.3Very high0 Ų011.9 Ų11.90%07%0.071CC..THydrogen-bonded Turntrans53.548176.400000113.1A221 G222 K223 H230 W232 L233 V253A221-A225 PolarHBondContact O-N 3.43Å; G222-A225 PolarHBondContact O-N 3.35Å; K223-A225 VanDerWaalsContact C-N 3.34Å; A225-H230 WeakPolarHBondContact O-CB 3.13Å; A225-W232 HydrophobicContact CB-CZ2 4.04Å; A225-L233 HydrophobicContact CB-CB 3.71Å; A225-L233 HydrophobicContact CB-CD1 3.58Å; A225-L233 HydrophobicContact CB-CG 4.28Å; A225-V253 HydrophobicContact CB-CG1 4.43Å
226Q96.8Very high95.2Very high1 Ų111.9 Ų11.91%0.0057%0.071CC..  trans-78.9175.5175.8-55.7-69-19.200110.9A221 S224 L229 H230 L280 T284 L310A221-Q226 HydrophobicContact CB-CB 4.04Å; A221-Q226 HydrophobicContact CB-CG 4.36Å; A221-Q226 PolarHBondContact O-N 3.16Å; S224-Q226 VanDerWaalsContact C-N 3.35Å; S224-Q226 PolarHBondContact O-N 2.91Å; S224-Q226 VanDerWaalsContact OG-CG 3.29Å; S224-Q226 WeakPolarHBondContact OG-CG 3.47Å; S224-Q226 PolarHBondContact OG-NE2 3.1Å; Q226-L229 CarbonylContact O-C 3.46Å; Q226-L229 VanDerWaalsContact O-C 3.23Å; Q226-L229 WeakPolarHBondContact O-CA 3.5Å; Q226-L229 PolarHBondContact O-N 2.88Å; Q226-H230 WeakPolarHBondContact O-CA 3.39Å; Q226-H230 WeakPolarHBondContact O-CB 3.29Å; Q226-H230 PolarHBondContact O-N 3.41Å; Q226-L280 HydrophobicContact CB-CD2 3.53Å; Q226-L280 HydrophobicContact CB-CG 4.27Å; Q226-L280 HydrophobicContact CG-CD2 3.64Å; Q226-T284 HydrophobicContact CB-CG2 3.89Å; Q226-T284 VanDerWaalsContact OE1-CG2 3.24Å; Q226-T284 PolarHBondContact OE1-OG1 3.5Å; Q226-L310 PolarHBondContact NE2-O 3.2Å
227L95Very high95.1Very high63 Ų6312 Ų1233%0.337%0.072SC..THydrogen-bonded Turntrans-61.2144.8-171-159.385.6000109.3L229 I283 T284 F287L227-L229 PolarHBondContact O-N 3.36Å; L227-I283 HydrophobicContact CD1-CG2 4.05Å; L227-I283 HydrophobicContact CD2-CB 4.33Å; L227-I283 HydrophobicContact CD2-CG2 3.46Å; L227-I283 VanDerWaalsContact CD2-CG2 3.46Å; L227-I283 HydrophobicContact CG-CG2 4.25Å; L227-T284 HydrophobicContact CB-CG2 3.54Å; L227-F287 HydrophobicContact CD1-CB 3.78Å; L227-F287 HydrophobicContact CD1-CD1 3.91Å; L227-F287 HydrophobicContact CD1-CD2 4.32Å; L227-F287 HydrophobicContact CD1-CG 3.72Å
228G93.9Very high94.9Very high21 Ų2114 Ų1422%0.2168%0.081CC..THydrogen-bonded Turntrans84.8-44.3-167.900000113.3Y529G228-Y529 WeakPolarHBondContact CA-OH 3.43Å; G228-Y529 PolarHBondContact O-OH 2.93Å
229L95.8Very high94.7Very high20 Ų2010.9 Ų10.911%0.1056%0.064CC..SBendtrans-11217.4-178.8-51177.3000113.2Y174 I177 L218 A221 Q226 L227 P231 W232Y174-L229 HydrophobicContact CD1-CB 3.77Å; Y174-L229 HydrophobicContact CD1-CD2 3.52Å; Y174-L229 HydrophobicContact CD1-CG 4.2Å; Y174-L229 HydrophobicContact CE1-CB 4.34Å; Y174-L229 HydrophobicContact CE1-CD2 3.82Å; I177-L229 HydrophobicContact CB-CD2 4.45Å; I177-L229 HydrophobicContact CD1-CD2 4.08Å; I177-L229 HydrophobicContact CG2-CD1 4.01Å; I177-L229 HydrophobicContact CG2-CD2 4.01Å; L218-L229 HydrophobicContact CD1-CD1 4.39Å; A221-L229 HydrophobicContact CB-CD1 4.45Å; Q226-L229 CarbonylContact O-C 3.46Å; Q226-L229 VanDerWaalsContact O-C 3.23Å; Q226-L229 WeakPolarHBondContact O-CA 3.5Å; Q226-L229 PolarHBondContact O-N 2.88Å; L227-L229 PolarHBondContact O-N 3.36Å; L229-P231 VanDerWaalsContact C-CD 3.47Å; L229-W232 PolarHBondContact O-NE1 3.34Å
230H95Very high94.6Very high8 Ų811 Ų114%0.0377%0.065CC..  trans-76.3-28.2-177.466.3-82.1000117.2A225 Q226 W232 L233 P234 F287 Y529A225-H230 WeakPolarHBondContact O-CB 3.13Å; Q226-H230 WeakPolarHBondContact O-CA 3.39Å; Q226-H230 WeakPolarHBondContact O-CB 3.29Å; Q226-H230 PolarHBondContact O-N 3.41Å; H230-W232 PolarHBondContact O-N 3.33Å; H230-L233 PolarHBondContact O-N 3.46Å; H230-P234 VanDerWaalsContact O-CD 3.29Å; H230-P234 WeakPolarHBondContact O-CD 3.49Å; H230-F287 AromaticContact CD2-CE1 3.55Å; H230-F287 AromaticContact CE1-CE1 3.76Å; H230-F287 AromaticContact NE2-CE1 3.21Å; H230-F287 WeakPolarHBondContact NE2-CE1 3.33Å; H230-F287 AromaticContact NE2-CZ 3.71Å; H230-Y529 AromaticContact CE1-CD1 3.61Å; H230-Y529 AromaticContact CE1-CE1 3.94Å; H230-Y529 AromaticContact CE1-CG 3.83Å; H230-Y529 AromaticContact NE2-CD1 3.91Å
231P95.1Very high94.5Very high6 Ų611 Ų114%0.0397%0.065CC..THydrogen-bonded Turntrans-65.2-16.9-166.3-27.336.7000116.2Q170 L229 L233 P234 S235 Y529 P530Q170-P231 PolarHBondContact NE2-O 2.8Å; L229-P231 VanDerWaalsContact C-CD 3.47Å; P231-L233 VanDerWaalsContact C-N 3.31Å; P231-P234 WeakPolarHBondContact O-CD 3.47Å; P231-S235 PolarHBondContact O-OG 3.44Å; P231-Y529 HydrophobicContact CG-CD1 3.4Å; P231-Y529 HydrophobicContact CG-CE1 3.48Å; P231-Y529 VanDerWaalsContact CG-CE1 3.48Å; P231-P530 HydrophobicContact CB-CG 4.27Å; P231-P530 HydrophobicContact CG-CG 4.47Å
232W94.8Very high94.4Very high0 Ų010.7 Ų10.70%06%0.063CC..Hα-helixtrans-71.9-27.2-17972.1-96.9000112.8Q170 A171 Y174 G222 K223 A225 L229 H230 S235 A236 M252 V253Q170-W232 HydrophobicContact CG-CB 4.31Å; A171-W232 HydrophobicContact CB-CB 4.32Å; A171-W232 HydrophobicContact CB-CD2 4.46Å; A171-W232 HydrophobicContact CB-CE3 3.91Å; Y174-W232 HydrophobicContact CD2-CB 3.69Å; Y174-W232 HydrophobicContact CD2-CG 4.28Å; Y174-W232 HydrophobicContact CE2-CB 4.39Å; Y174-W232 HydrophobicContact CG-CB 4.28Å; Y174-W232 AromaticContact CG-CD1 3.83Å; Y174-W232 HydrophobicContact CG-CG 4.4Å; G222-W232 PolarHBondContact O-NE1 2.54Å; G222-W232 VanDerWaalsContact O-NE1 3.09Å; K223-W232 WeakPolarHBondContact O-CZ2 3.41Å; A225-W232 HydrophobicContact CB-CZ2 4.04Å; L229-W232 PolarHBondContact O-NE1 3.34Å; H230-W232 PolarHBondContact O-N 3.33Å; W232-S235 WeakPolarHBondContact CA-OG 3.29Å; W232-S235 PolarHBondContact O-N 3.13Å; W232-S235 PolarHBondContact O-OG 3.06Å; W232-S235 VanDerWaalsContact O-OG 3.11Å; W232-A236 HydrophobicContact CE3-CB 4.42Å; W232-A236 WeakPolarHBondContact O-CB 3.43Å; W232-A236 PolarHBondContact O-N 3.1Å; W232-M252 HydrophobicContact CE3-CE 4.44Å; W232-M252 HydrophobicContact CH2-CE 3.48Å; W232-M252 VanDerWaalsContact CH2-CE 3.48Å; W232-M252 HydrophobicContact CH2-CG 4.23Å; W232-M252 HydrophobicContact CH2-SD 3.73Å; W232-M252 HydrophobicContact CZ2-CE 4.27Å; W232-M252 HydrophobicContact CZ3-CE 3.59Å; W232-M252 HydrophobicContact CZ3-SD 3.81Å; W232-V253 HydrophobicContact CH2-CG2 3.97Å
233L93.8Very high94.4Very high1 Ų110.8 Ų10.81%0.0056%0.063CC..Hα-helixtrans-69.4-46.9-177.2-168.7170.4000111A225 H230 P231 S235 A236 M237 V253 A303 L310A225-L233 HydrophobicContact CB-CB 3.71Å; A225-L233 HydrophobicContact CB-CD1 3.58Å; A225-L233 HydrophobicContact CB-CG 4.28Å; H230-L233 PolarHBondContact O-N 3.46Å; P231-L233 VanDerWaalsContact C-N 3.31Å; L233-S235 PolarHBondContact O-N 2.77Å; L233-A236 WeakPolarHBondContact O-CB 3.32Å; L233-A236 PolarHBondContact O-N 2.86Å; L233-M237 HydrophobicContact CD2-CE 4.21Å; L233-M237 WeakPolarHBondContact O-CE 2.96Å; L233-V253 HydrophobicContact CD1-CG1 3.75Å; L233-V253 HydrophobicContact CD1-CG2 4.07Å; L233-A303 HydrophobicContact CD2-CB 3.56Å; L233-A303 WeakPolarHBondContact CD2-O 3.47Å; L233-L310 HydrophobicContact CD1-CD1 4.43Å
234P93.6Very high94.3Very high8 Ų810.8 Ų10.85%0.0526%0.063CC..Hα-helixtrans-63-35.1172.8-24.334.6000114.3H230 P231 M237 F304H230-P234 VanDerWaalsContact O-CD 3.29Å; H230-P234 WeakPolarHBondContact O-CD 3.49Å; P231-P234 WeakPolarHBondContact O-CD 3.47Å; P234-M237 WeakPolarHBondContact O-CB 3.34Å; P234-M237 VanDerWaalsContact O-CG 3.31Å; P234-M237 WeakPolarHBondContact O-CG 3.37Å; P234-M237 PolarHBondContact O-N 3.1Å; P234-F304 HydrophobicContact CB-CE1 4.31Å; P234-F304 HydrophobicContact CB-CE2 4.01Å; P234-F304 HydrophobicContact CB-CZ 3.65Å; P234-F304 HydrophobicContact CG-CD1 4.13Å; P234-F304 HydrophobicContact CG-CE1 3.33Å; P234-F304 HydrophobicContact CG-CE2 3.9Å; P234-F304 HydrophobicContact CG-CZ 3.16Å
235S93.1Very high94.2Very high27 Ų2710.8 Ų10.819%0.1896%0.063CC..Hα-helixtrans-75.1-27.1178.659.70000112.8A167 Q170 P231 W232 L233 M237 E238A167-S235 WeakPolarHBondContact CB-O 3.06Å; Q170-S235 VanDerWaalsContact CD-OG 3.28Å; Q170-S235 PolarHBondContact NE2-OG 3.01Å; Q170-S235 PolarHBondContact OE1-OG 3.43Å; P231-S235 PolarHBondContact O-OG 3.44Å; W232-S235 WeakPolarHBondContact CA-OG 3.29Å; W232-S235 PolarHBondContact O-N 3.13Å; W232-S235 PolarHBondContact O-OG 3.06Å; W232-S235 VanDerWaalsContact O-OG 3.11Å; L233-S235 PolarHBondContact O-N 2.77Å; S235-M237 PolarHBondContact O-N 2.67Å; S235-E238 PolarHBondContact O-N 2.9Å; S235-E238 VanDerWaalsContact O-N 3.15Å
236A93.1Very high94.1Very high2 Ų210.9 Ų10.92%0.0176%0.064CC..G310 helixtrans-59.8-12.4172.200000113.8I155 W232 L233 E238 G239I155-A236 HydrophobicContact CD1-CB 3.74Å; I155-A236 HydrophobicContact CG1-CB 4.18Å; W232-A236 HydrophobicContact CE3-CB 4.42Å; W232-A236 WeakPolarHBondContact O-CB 3.43Å; W232-A236 PolarHBondContact O-N 3.1Å; L233-A236 WeakPolarHBondContact O-CB 3.32Å; L233-A236 PolarHBondContact O-N 2.86Å; A236-E238 PolarHBondContact O-N 3.07Å; A236-G239 PolarHBondContact O-N 3.25Å; A236-G239 VanDerWaalsContact O-N 3.16Å
237M94.4Very high93.7Very high4 Ų411 Ų112%0.026%0.064CC..G310 helixtrans-67.6-6.7173.5-61.1-57120.800114.3L233 P234 S235 G239 H248 K299 K300 A303 F340L233-M237 HydrophobicContact CD2-CE 4.21Å; L233-M237 WeakPolarHBondContact O-CE 2.96Å; P234-M237 WeakPolarHBondContact O-CB 3.34Å; P234-M237 VanDerWaalsContact O-CG 3.31Å; P234-M237 WeakPolarHBondContact O-CG 3.37Å; P234-M237 PolarHBondContact O-N 3.1Å; S235-M237 PolarHBondContact O-N 2.67Å; M237-G239 PolarHBondContact O-N 3.5Å; M237-H248 WeakPolarHBondContact CE-CD2 3.35Å; M237-H248 WeakPolarHBondContact CE-NE2 3.17Å; M237-K299 HydrophobicContact CB-CB 4.12Å; M237-K299 HydrophobicContact CG-CB 4.08Å; M237-K299 WeakPolarHBondContact O-CE 3.43Å; M237-K299 PolarHBondContact O-NZ 3.44Å; 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 3.49Å; M237-A303 VanDerWaalsContact CE-CB 3.49Å; M237-A303 HydrophobicContact CG-CB 3.88Å; M237-A303 HydrophobicContact SD-CB 3.81Å; M237-F340 HydrophobicContact CE-CE1 4.48Å; M237-F340 HydrophobicContact CE-CZ 4.35Å; M237-F340 HydrophobicContact SD-CE1 3.83Å; M237-F340 HydrophobicContact SD-CZ 4.24Å
238E92.1Very high93.1Very high62 Ų628 Ų829%0.295%0.049SC..G310 helixtrans-68.5-23.9168.8-69.7-55.4144.700112.7D163 A164 S235 A236D163-E238 HydrophobicContact CB-CG 4.47Å; A164-E238 HydrophobicContact CB-CB 4.37Å; S235-E238 PolarHBondContact O-N 2.9Å; S235-E238 VanDerWaalsContact O-N 3.15Å; A236-E238 PolarHBondContact O-N 3.07Å
239G92.8Very high92.3Very high0 Ų07 Ų70%04%0.038CC..SBendtrans-65.4160.9174.600000112.9A236 M237 K299A236-G239 PolarHBondContact O-N 3.25Å; A236-G239 VanDerWaalsContact O-N 3.16Å; M237-G239 PolarHBondContact O-N 3.5Å; G239-K299 PolarHBondContact O-NZ 2.83Å
240P94.9Very high91.4Very high1 Ų16.1 Ų6.11%0.0063%0.033CC..  trans-62.7152.5-179.427.3-34.1000111.7Y107 M108 F117 W157 W158 P242 V243 S244Y107-P240 HydrophobicContact CE1-CB 4.41Å; M108-P240 HydrophobicContact SD-CB 4.16Å; F117-P240 HydrophobicContact CE2-CG 3.83Å; F117-P240 HydrophobicContact CZ-CG 4.45Å; W157-P240 HydrophobicContact CB-CG 4.32Å; W157-P240 HydrophobicContact CG-CG 4.49Å; W158-P240 HydrophobicContact CH2-CB 4.03Å; W158-P240 HydrophobicContact CZ2-CB 4.45Å; W158-P240 HydrophobicContact CZ3-CB 4.42Å; P240-P242 VanDerWaalsContact C-CD 3.41Å; P240-V243 HydrophobicContact CG-CB 4.1Å; P240-V243 HydrophobicContact CG-CG2 3.66Å; P240-V243 WeakPolarHBondContact O-CB 3.44Å; P240-V243 PolarHBondContact O-N 3.22Å; P240-S244 PolarHBondContact O-N 2.95Å; P240-S244 VanDerWaalsContact O-N 3.12Å
241T94.9Very high90.9Very high0 Ų05.7 Ų5.70%03%0.032CC..Hα-helixtrans-60.3-36.3-17260.90000114.6Y107 V243 S244 A245 K299 I347Y107-T241 WeakPolarHBondContact CD2-OG1 3.49Å; Y107-T241 HydrophobicContact CE2-CG2 4.12Å; Y107-T241 WeakPolarHBondContact CE2-OG1 3.25Å; Y107-T241 WeakPolarHBondContact OH-CG2 3.26Å; T241-V243 VanDerWaalsContact C-N 3.28Å; T241-V243 PolarHBondContact O-N 2.98Å; T241-S244 WeakPolarHBondContact CA-OG 3.49Å; T241-S244 PolarHBondContact O-N 3.36Å; T241-S244 PolarHBondContact O-OG 3.15Å; T241-A245 WeakPolarHBondContact O-CB 3.17Å; T241-A245 PolarHBondContact O-N 3.46Å; T241-K299 HydrophobicContact CG2-CD 3.96Å; T241-I347 HydrophobicContact CG2-CD1 4.03Å
242P95.3Very high90.7Very high0 Ų05.4 Ų5.40%03%0.03CC..Hα-helixtrans-64.2-33.8176.1-16.830.2000112.4I100 F103 Y107 F117 P240 A245 L246I100-P242 HydrophobicContact CG2-CB 3.9Å; I100-P242 WeakPolarHBondContact CG2-O 3.47Å; F103-P242 HydrophobicContact CD1-CB 4.22Å; F103-P242 HydrophobicContact CD1-CG 3.91Å; F103-P242 HydrophobicContact CE1-CG 3.89Å; Y107-P242 HydrophobicContact CD1-CG 3.85Å; 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 4.44Å; P240-P242 VanDerWaalsContact C-CD 3.41Å; P242-A245 PolarHBondContact O-N 3.24Å; P242-L246 PolarHBondContact O-N 3.36Å; P242-L246 VanDerWaalsContact O-N 3.1Å
243V94.7Very high90.7Very high2 Ų25.4 Ų5.41%0.0123%0.03CC..Hα-helixtrans-65.8-49.4174.6170.30000109.8F117 L154 P240 T241 A245 L246 L247F117-V243 HydrophobicContact CE2-CG2 3.49Å; F117-V243 VanDerWaalsContact CE2-CG2 3.49Å; F117-V243 HydrophobicContact CZ-CG2 3.68Å; L154-V243 HydrophobicContact CB-CB 4.41Å; L154-V243 HydrophobicContact CB-CG1 3.62Å; L154-V243 HydrophobicContact CB-CG2 3.84Å; L154-V243 HydrophobicContact CD1-CG1 4.46Å; L154-V243 HydrophobicContact CD1-CG2 4.36Å; L154-V243 HydrophobicContact CD2-CG2 3.89Å; L154-V243 HydrophobicContact CG-CG2 4.25Å; P240-V243 HydrophobicContact CG-CB 4.1Å; P240-V243 HydrophobicContact CG-CG2 3.66Å; P240-V243 WeakPolarHBondContact O-CB 3.44Å; P240-V243 PolarHBondContact O-N 3.22Å; T241-V243 VanDerWaalsContact C-N 3.28Å; T241-V243 PolarHBondContact O-N 2.98Å; V243-A245 VanDerWaalsContact C-N 3.27Å; V243-A245 PolarHBondContact O-N 3.12Å; V243-L246 PolarHBondContact O-N 3.07Å; V243-L247 HydrophobicContact CG1-CD1 3.46Å; V243-L247 VanDerWaalsContact CG1-CD1 3.46Å; V243-L247 HydrophobicContact CG1-CG 3.85Å; V243-L247 WeakPolarHBondContact O-CB 3.32Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L247 PolarHBondContact O-N 3.39Å
244S92.9Very high90.7Very high0 Ų05.4 Ų5.40%03%0.03CC..Hα-helixtrans-60.6-39177.960.80000112.1P240 T241 L246 H248P240-S244 PolarHBondContact O-N 2.95Å; P240-S244 VanDerWaalsContact O-N 3.12Å; T241-S244 WeakPolarHBondContact CA-OG 3.49Å; T241-S244 PolarHBondContact O-N 3.36Å; T241-S244 PolarHBondContact O-OG 3.15Å; S244-L246 VanDerWaalsContact C-N 3.26Å; S244-L246 PolarHBondContact O-N 2.67Å; S244-H248 WeakPolarHBondContact O-CB 3.5Å; S244-H248 PolarHBondContact O-CD2 3.46Å; S244-H248 PolarHBondContact O-N 3Å; S244-H248 VanDerWaalsContact O-N 3.13Å
245A92.6Very high90.8Very high0 Ų05.1 Ų5.10%03%0.028CC..Hα-helixtrans-58.6-40.9175.200000111.3I100 T241 P242 V243 S249 F340I100-A245 HydrophobicContact CD1-CB 4.01Å; I100-A245 HydrophobicContact CG1-CB 4.24Å; T241-A245 WeakPolarHBondContact O-CB 3.17Å; T241-A245 PolarHBondContact O-N 3.46Å; P242-A245 PolarHBondContact O-N 3.24Å; V243-A245 VanDerWaalsContact C-N 3.27Å; V243-A245 PolarHBondContact O-N 3.12Å; A245-S249 WeakPolarHBondContact O-CB 3.44Å; A245-S249 PolarHBondContact O-N 3.41Å; A245-S249 PolarHBondContact O-OG 3.46Å; A245-F340 HydrophobicContact CB-CB 3.54Å; A245-F340 HydrophobicContact CB-CG 4.33Å
246L92.2Very high90.8Very high3 Ų33.8 Ų3.82%0.0162%0.019CC..Hα-helixtrans-79-49.9-176.1-162.3150.3000112.6T97 I100 L121 F124 P242 V243 S244 H248 T251T97-L246 HydrophobicContact CG2-CD1 3.61Å; T97-L246 HydrophobicContact CG2-CG 4.1Å; I100-L246 HydrophobicContact CD1-CB 3.65Å; I100-L246 HydrophobicContact CD1-CD1 4.23Å; I100-L246 HydrophobicContact CD1-CG 4Å; I100-L246 HydrophobicContact CG2-CB 4.4Å; I100-L246 HydrophobicContact CG2-CD1 4.3Å; L121-L246 HydrophobicContact CD1-CD1 4.13Å; L121-L246 HydrophobicContact CD2-CD1 3.15Å; L121-L246 HydrophobicContact CG-CD1 3.69Å; F124-L246 HydrophobicContact CD1-CD2 3.18Å; F124-L246 HydrophobicContact CE1-CD2 3.02Å; F124-L246 HydrophobicContact CG-CD2 4.26Å; F124-L246 HydrophobicContact CZ-CD2 3.97Å; P242-L246 PolarHBondContact O-N 3.36Å; P242-L246 VanDerWaalsContact O-N 3.1Å; V243-L246 PolarHBondContact O-N 3.07Å; S244-L246 VanDerWaalsContact C-N 3.26Å; S244-L246 PolarHBondContact O-N 2.67Å; L246-H248 VanDerWaalsContact C-N 3.35Å; L246-H248 PolarHBondContact O-N 2.65Å; L246-T251 HydrophobicContact CD2-CG2 3.92Å; L246-T251 WeakPolarHBondContact CD2-OG1 3.36Å; L246-T251 PolarHBondContact O-OG1 2.92Å
247L87.8Confident91Very high2 Ų23.7 Ų3.71%0.012%0.018CC..Hα-helixtrans-61.8-42.8-176.6-67.2-176.3000111.6F124 I155 V243 M252 V253F124-L247 HydrophobicContact CD2-CD2 3.87Å; F124-L247 HydrophobicContact CE1-CD2 4.17Å; F124-L247 HydrophobicContact CE2-CD2 3.13Å; F124-L247 HydrophobicContact CZ-CD2 3.34Å; I155-L247 HydrophobicContact CD1-CD1 4.48Å; I155-L247 HydrophobicContact CG1-CD1 4.24Å; V243-L247 HydrophobicContact CG1-CD1 3.46Å; V243-L247 VanDerWaalsContact CG1-CD1 3.46Å; V243-L247 HydrophobicContact CG1-CG 3.85Å; V243-L247 WeakPolarHBondContact O-CB 3.32Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L247 PolarHBondContact O-N 3.39Å; L247-M252 HydrophobicContact CB-CB 4.47Å; L247-M252 HydrophobicContact CD2-CB 4.1Å; L247-M252 HydrophobicContact CD2-SD 4.26Å; L247-M252 PolarHBondContact O-N 2.92Å; L247-V253 PolarHBondContact O-N 2.93Å
248H81.8Confident91.1Very high2 Ų23.5 Ų3.51%0.0092%0.017CC..Hα-helixtrans-97.4-9.7-169.7-55.5-65.9000114.7M237 S244 L246 T306 F340M237-H248 WeakPolarHBondContact CE-CD2 3.35Å; M237-H248 WeakPolarHBondContact CE-NE2 3.17Å; S244-H248 WeakPolarHBondContact O-CB 3.5Å; S244-H248 PolarHBondContact O-CD2 3.46Å; S244-H248 PolarHBondContact O-N 3Å; S244-H248 VanDerWaalsContact O-N 3.13Å; L246-H248 VanDerWaalsContact C-N 3.35Å; L246-H248 PolarHBondContact O-N 2.65Å; H248-T306 HydrophobicContact CB-CG2 4.29Å; H248-T306 WeakPolarHBondContact O-CG2 3.48Å; H248-F340 HydrophobicContact CB-CE2 3.72Å; H248-F340 HydrophobicContact CB-CZ 3.99Å
249S77.4Confident91.2Very high0 Ų00.6 Ų0.60%00%0.003CC..Hα-helixtrans-89.8-55.4176.163.20000112.6A245 H332A245-S249 WeakPolarHBondContact O-CB 3.44Å; A245-S249 PolarHBondContact O-N 3.41Å; A245-S249 PolarHBondContact O-OG 3.46Å; S249-H332 PolarHBondContact O-ND1 3.21Å; S249-H332 VanDerWaalsContact O-ND1 3.16Å
250S76.1Confident91.4Very high0 Ų01.1 Ų1.10%01%0.006CC..THydrogen-bonded Turntrans-125.6-21-158.846.70000113.8F89F89-S250 WeakPolarHBondContact CE2-O 3.13Å; F89-S250 WeakPolarHBondContact CZ-O 3.09Å
251T86.1Confident91.4Very high0 Ų01 Ų10%01%0.006CC..SBendtrans-120.9-84.3-159.957.50000114.5F124 M128 L246 V253 V254 A255F124-T251 HydrophobicContact CE1-CG2 3.78Å; F124-T251 WeakPolarHBondContact CE1-OG1 3.39Å; F124-T251 WeakPolarHBondContact CZ-OG1 3.42Å; M128-T251 HydrophobicContact CB-CG2 4.4Å; M128-T251 WeakPolarHBondContact CE-O 3.37Å; M128-T251 HydrophobicContact CG-CG2 3.84Å; L246-T251 HydrophobicContact CD2-CG2 3.92Å; L246-T251 WeakPolarHBondContact CD2-OG1 3.36Å; L246-T251 PolarHBondContact O-OG1 2.92Å; T251-V253 PolarHBondContact O-N 3.31Å; T251-V254 PolarHBondContact O-N 2.95Å; T251-A255 PolarHBondContact O-N 3.38Å
252M91.3Very high91.3Very high0 Ų02.4 Ų2.40%01%0.011CC..Hα-helixtrans-62-51.3-167.2177.4-176.8-176.300112.5F124 V147 S151 N175 W232 L247 V254 A255F124-M252 HydrophobicContact CE2-CB 4.42Å; F124-M252 HydrophobicContact CZ-CB 4.1Å; V147-M252 HydrophobicContact CG1-CB 3.76Å; V147-M252 HydrophobicContact CG1-CG 3.83Å; S151-M252 WeakPolarHBondContact CB-SD 3.3Å; S151-M252 VanDerWaalsContact OG-CE 3.27Å; S151-M252 WeakPolarHBondContact OG-CE 3.27Å; N175-M252 WeakPolarHBondContact ND2-CE 3.31Å; W232-M252 HydrophobicContact CE3-CE 4.44Å; W232-M252 HydrophobicContact CH2-CE 3.48Å; W232-M252 VanDerWaalsContact CH2-CE 3.48Å; W232-M252 HydrophobicContact CH2-CG 4.23Å; W232-M252 HydrophobicContact CH2-SD 3.73Å; W232-M252 HydrophobicContact CZ2-CE 4.27Å; W232-M252 HydrophobicContact CZ3-CE 3.59Å; W232-M252 HydrophobicContact CZ3-SD 3.81Å; L247-M252 HydrophobicContact CB-CB 4.47Å; L247-M252 HydrophobicContact CD2-CB 4.1Å; L247-M252 HydrophobicContact CD2-SD 4.26Å; L247-M252 PolarHBondContact O-N 2.92Å; M252-V254 VanDerWaalsContact C-N 3.26Å; M252-V254 PolarHBondContact O-N 3.23Å; M252-A255 WeakPolarHBondContact O-CB 3.45Å; M252-A255 PolarHBondContact O-N 2.98Å
253V94.2Very high91.1Very high0 Ų02.6 Ų2.60%01%0.012CC..Hα-helixtrans-74.1-25.1-171.3-157.90000111.9K223 S224 A225 W232 L233 L247 T251 L310K223-V253 WeakPolarHBondContact O-CA 3.34Å; S224-V253 VanDerWaalsContact CA-O 3.32Å; S224-V253 WeakPolarHBondContact CA-O 3.34Å; S224-V253 WeakPolarHBondContact CB-O 3.34Å; A225-V253 HydrophobicContact CB-CG1 4.43Å; W232-V253 HydrophobicContact CH2-CG2 3.97Å; L233-V253 HydrophobicContact CD1-CG1 3.75Å; L233-V253 HydrophobicContact CD1-CG2 4.07Å; L247-V253 PolarHBondContact O-N 2.93Å; T251-V253 PolarHBondContact O-N 3.31Å; V253-L310 HydrophobicContact CB-CD1 3.82Å; V253-L310 HydrophobicContact CG1-CD1 3.1Å; V253-L310 HydrophobicContact CG1-CD2 4.33Å; V253-L310 HydrophobicContact CG1-CG 4.31Å
254V94.4Very high90.9Very high1 Ų14.5 Ų4.51%0.0062%0.02CC..Hα-helixtrans-74.3-28.1176.4170.20000111.7F89 T251 M252 G256 I257 F258 L310 I329F89-V254 HydrophobicContact CE2-CG1 4.32Å; T251-V254 PolarHBondContact O-N 2.95Å; M252-V254 VanDerWaalsContact C-N 3.26Å; M252-V254 PolarHBondContact O-N 3.23Å; V254-G256 PolarHBondContact O-N 3.09Å; V254-G256 VanDerWaalsContact O-N 3.14Å; V254-I257 PolarHBondContact O-N 2.95Å; V254-F258 WeakPolarHBondContact O-CB 3.34Å; V254-F258 PolarHBondContact O-N 3.33Å; V254-L310 HydrophobicContact CG2-CD2 4.26Å; V254-I329 HydrophobicContact CB-CG2 4.44Å; V254-I329 HydrophobicContact CG1-CB 4.23Å; V254-I329 HydrophobicContact CG1-CD1 3.79Å; V254-I329 HydrophobicContact CG1-CG1 3.85Å; V254-I329 HydrophobicContact CG1-CG2 3.33Å; V254-I329 HydrophobicContact CG2-CG2 4.26Å
255A94.1Very high90.8Very high1 Ų17 Ų71%0.0084%0.037CC..Hα-helixtrans-55-36.5-174.600000113.7M128 L131 W144 T251 M252 F258 L259M128-A255 HydrophobicContact CE-CB 4.47Å; L131-A255 HydrophobicContact CD1-CB 3.78Å; L131-A255 HydrophobicContact CD2-CB 4.29Å; W144-A255 HydrophobicContact CE3-CB 4.49Å; W144-A255 HydrophobicContact CZ3-CB 4.41Å; T251-A255 PolarHBondContact O-N 3.38Å; M252-A255 WeakPolarHBondContact O-CB 3.45Å; M252-A255 PolarHBondContact O-N 2.98Å; A255-F258 PolarHBondContact O-N 3.23Å; A255-L259 WeakPolarHBondContact O-CB 3.38Å; A255-L259 PolarHBondContact O-N 2.99Å
256G94.4Very high90.7Very high0 Ų07.1 Ų7.10%04%0.037CC..Hα-helixtrans-65.2-40.4176.300000113.5A220 V254 L260A220-G256 VanDerWaalsContact CB-O 3.26Å; A220-G256 WeakPolarHBondContact CB-O 3.33Å; V254-G256 PolarHBondContact O-N 3.09Å; V254-G256 VanDerWaalsContact O-N 3.14Å; G256-L260 PolarHBondContact O-N 2.89Å
257I96.3Very high90.6Very high0 Ų07.7 Ų7.70%04%0.042CC..Hα-helixtrans-73.1-41.2177.9-55.8-167.5000110V254 L259 L260 I261 L310 M313 I317 I329V254-I257 PolarHBondContact O-N 2.95Å; I257-L259 VanDerWaalsContact C-N 3.28Å; I257-L259 PolarHBondContact O-N 3.12Å; I257-L260 PolarHBondContact O-N 3.44Å; I257-L260 VanDerWaalsContact O-N 3.11Å; I257-I261 HydrophobicContact CG2-CD1 3.98Å; I257-I261 WeakPolarHBondContact O-CG1 3.46Å; I257-I261 PolarHBondContact O-N 3.03Å; I257-L310 HydrophobicContact CD1-CB 3.87Å; I257-L310 HydrophobicContact CD1-CD2 3.49Å; I257-L310 VanDerWaalsContact CD1-CD2 3.49Å; I257-L310 HydrophobicContact CD1-CG 4.29Å; I257-L310 VanDerWaalsContact CD1-O 3.24Å; I257-L310 WeakPolarHBondContact CD1-O 3.42Å; I257-L310 HydrophobicContact CG1-CD2 4.36Å; I257-M313 HydrophobicContact CD1-CB 3.55Å; I257-M313 HydrophobicContact CD1-CG 4.35Å; I257-M313 HydrophobicContact CD1-SD 3.91Å; I257-M313 HydrophobicContact CG2-CB 3.95Å; I257-I317 HydrophobicContact CG2-CD1 3.53Å; I257-I329 HydrophobicContact CB-CD1 4.38Å; I257-I329 HydrophobicContact CG2-CD1 3.9Å
258F96.1Very high90.6Very high0 Ų012 Ų120%06%0.062CC..Hα-helixtrans-57.4-41.5174.3-177.3-95.6000112F85 L131 V132 V254 A255 L260 I261 R262 F326F85-F258 HydrophobicContact CB-CE2 3.91Å; F85-F258 HydrophobicContact CB-CZ 4.36Å; L131-F258 HydrophobicContact CD2-CD1 3.84Å; L131-F258 HydrophobicContact CD2-CE1 4.2Å; V132-F258 HydrophobicContact CB-CE1 4.31Å; V132-F258 HydrophobicContact CB-CZ 4.02Å; V132-F258 HydrophobicContact CG1-CE1 4.45Å; V132-F258 HydrophobicContact CG1-CE2 4.09Å; V132-F258 HydrophobicContact CG1-CZ 3.68Å; V132-F258 HydrophobicContact CG2-CE1 4.27Å; V132-F258 HydrophobicContact CG2-CE2 4.5Å; V132-F258 HydrophobicContact CG2-CZ 4.15Å; V132-F258 WeakPolarHBondContact O-CZ 3.37Å; V254-F258 WeakPolarHBondContact O-CB 3.34Å; V254-F258 PolarHBondContact O-N 3.33Å; A255-F258 PolarHBondContact O-N 3.23Å; F258-L260 PolarHBondContact O-N 3.45Å; F258-I261 WeakPolarHBondContact O-CB 3.46Å; F258-I261 PolarHBondContact O-N 3.44Å; F258-R262 HydrophobicContact CD1-CG 4.03Å; F258-R262 HydrophobicContact CE1-CG 3.73Å; F258-R262 VanDerWaalsContact CE1-NE 3.29Å; F258-R262 HydrophobicContact CZ-CG 4.19Å; F258-R262 VanDerWaalsContact O-CG 3.31Å; F258-R262 WeakPolarHBondContact O-CG 3.39Å; F258-R262 PolarHBondContact O-N 3.45Å; F258-F326 HydrophobicContact CD2-CE2 4.38Å; F258-F326 HydrophobicContact CE2-CE2 4.22Å
259L95.9Very high90.9Very high0 Ų016.1 Ų16.10%09%0.085CC..Hα-helixtrans-57.7-46173.6172.7166.6000111.8W144 F182 L216 A219 A255 I257 I261 R262 F263W144-L259 HydrophobicContact CE3-CD1 4.15Å; W144-L259 HydrophobicContact CH2-CD1 3.77Å; W144-L259 HydrophobicContact CZ3-CB 4.16Å; W144-L259 HydrophobicContact CZ3-CD1 3.53Å; F182-L259 HydrophobicContact CD2-CD1 3.43Å; F182-L259 VanDerWaalsContact CD2-CD1 3.43Å; F182-L259 HydrophobicContact CE2-CD1 3.34Å; F182-L259 HydrophobicContact CE2-CG 4.41Å; L216-L259 HydrophobicContact CB-CD2 3.82Å; L216-L259 HydrophobicContact CD2-CD1 4.26Å; L216-L259 HydrophobicContact CD2-CD2 3.56Å; L216-L259 HydrophobicContact CD2-CG 4.19Å; L216-L259 HydrophobicContact CG-CD2 4.17Å; A219-L259 HydrophobicContact CB-CD1 4.34Å; A255-L259 WeakPolarHBondContact O-CB 3.38Å; A255-L259 PolarHBondContact O-N 2.99Å; I257-L259 VanDerWaalsContact C-N 3.28Å; I257-L259 PolarHBondContact O-N 3.12Å; L259-I261 VanDerWaalsContact C-N 3.34Å; L259-I261 PolarHBondContact O-N 3.39Å; L259-R262 WeakPolarHBondContact O-CB 3.36Å; L259-R262 PolarHBondContact O-N 3.42Å; L259-F263 HydrophobicContact CD2-CD2 4.3Å; L259-F263 HydrophobicContact CG-CD2 4.42Å; L259-F263 VanDerWaalsContact O-CD2 3.32Å; L259-F263 WeakPolarHBondContact O-CD2 3.33Å; L259-F263 PolarHBondContact O-N 3.13Å
260L95.6Very high91.6Very high11 Ų1116.7 Ų16.76%0.0589%0.089CC..Hα-helixtrans-66.3-36.6177.5-69.4175.7000112.5L216 A220 G256 I257 F258 R262 F263 H264 M314 I317L216-L260 HydrophobicContact CB-CD2 4.16Å; A220-L260 HydrophobicContact CB-CD1 3.48Å; A220-L260 VanDerWaalsContact CB-CD1 3.48Å; A220-L260 HydrophobicContact CB-CD2 4.34Å; A220-L260 HydrophobicContact CB-CG 3.72Å; G256-L260 PolarHBondContact O-N 2.89Å; I257-L260 PolarHBondContact O-N 3.44Å; I257-L260 VanDerWaalsContact O-N 3.11Å; F258-L260 PolarHBondContact O-N 3.45Å; L260-R262 VanDerWaalsContact C-N 3.32Å; L260-R262 PolarHBondContact O-N 3.41Å; L260-F263 CarbonylContact O-C 3.23Å; L260-F263 PolarHBondContact O-N 3.19Å; L260-H264 PolarHBondContact O-N 2.93Å; L260-M314 HydrophobicContact CD1-CE 3.52Å; L260-M314 HydrophobicContact CD1-SD 3.44Å; L260-M314 WeakPolarHBondContact CD1-SD 3.33Å; L260-I317 HydrophobicContact CB-CD1 3.91Å; L260-I317 HydrophobicContact CB-CG2 4.38Å; L260-I317 HydrophobicContact CD1-CD1 4.46Å
261I95.3Very high92.3Very high0 Ų021.1 Ų21.10%012%0.117CC..Hα-helixtrans-61.8-41174.3-69.5162.4000110.9F85 I257 F258 L259 F263 H264 I317 P322 A325 F326 I329F85-I261 HydrophobicContact CD1-CG2 3.7Å; F85-I261 HydrophobicContact CD2-CG2 4.26Å; F85-I261 HydrophobicContact CE1-CG2 3.27Å; F85-I261 HydrophobicContact CE2-CG2 3.88Å; F85-I261 HydrophobicContact CG-CG2 4.18Å; F85-I261 HydrophobicContact CZ-CG2 3.38Å; I257-I261 HydrophobicContact CG2-CD1 3.98Å; I257-I261 WeakPolarHBondContact O-CG1 3.46Å; I257-I261 PolarHBondContact O-N 3.03Å; F258-I261 WeakPolarHBondContact O-CB 3.46Å; F258-I261 PolarHBondContact O-N 3.44Å; L259-I261 VanDerWaalsContact C-N 3.34Å; L259-I261 PolarHBondContact O-N 3.39Å; I261-F263 VanDerWaalsContact C-N 3.28Å; I261-F263 PolarHBondContact O-N 2.77Å; I261-H264 WeakPolarHBondContact O-CB 3.42Å; I261-H264 PolarHBondContact O-N 3.49Å; I261-H264 PolarHBondContact O-ND1 3.3Å; I261-I317 HydrophobicContact CD1-CD1 4.48Å; I261-I317 HydrophobicContact CG1-CD1 3.91Å; I261-I317 HydrophobicContact CG1-CG1 4.25Å; I261-P322 HydrophobicContact CG1-CB 4.31Å; I261-P322 HydrophobicContact CG2-CB 4.3Å; I261-A325 HydrophobicContact CD1-CB 4.03Å; I261-A325 HydrophobicContact CG1-CB 4.38Å; I261-F326 HydrophobicContact CD1-CB 4.1Å; I261-I329 HydrophobicContact CD1-CD1 3.56Å
262R93.3Very high92.7Very high28 Ų2825.4 Ų25.411%0.10614%0.14CC..Hα-helixtrans-62.1-35.6175.8-70.8-69.4-172-179.8-4.8112.5D83 V132 F258 L259 L260D83-R262 IonicContact OD1-CZ 2.55Å; D83-R262 VanDerWaalsContact OD1-CZ 3.26Å; D83-R262 IonicContact OD1-NH1 3.96Å; D83-R262 PolarHBondContact OD1-NH1 2.83Å; D83-R262 IonicContact OD1-NH2 3.41Å; D83-R262 PolarHBondContact OD1-NH2 2.9Å; D83-R262 IonicContact OD2-CZ 3.49Å; D83-R262 IonicContact OD2-NH1 3.13Å; D83-R262 PolarHBondContact OD2-NH1 2.69Å; D83-R262 IonicContact OD2-NH2 3.38Å; V132-R262 PolarHBondContact O-NH2 3.49Å; F258-R262 HydrophobicContact CD1-CG 4.03Å; F258-R262 HydrophobicContact CE1-CG 3.73Å; F258-R262 VanDerWaalsContact CE1-NE 3.29Å; F258-R262 HydrophobicContact CZ-CG 4.19Å; F258-R262 VanDerWaalsContact O-CG 3.31Å; F258-R262 WeakPolarHBondContact O-CG 3.39Å; F258-R262 PolarHBondContact O-N 3.45Å; L259-R262 WeakPolarHBondContact O-CB 3.36Å; L259-R262 PolarHBondContact O-N 3.42Å; L260-R262 VanDerWaalsContact C-N 3.32Å; L260-R262 PolarHBondContact O-N 3.41Å
263F91.6Very high92.8Very high5 Ų525.7 Ų25.72%0.02214%0.141CC..THydrogen-bonded Turntrans-95.417.2178.3-73.1-71000113.9L137 F189 P198 L216 L259 L260 I261 P265 L266 A267L137-F263 HydrophobicContact CD1-CZ 4Å; L137-F263 HydrophobicContact CD2-CE1 4.48Å; L137-F263 HydrophobicContact CD2-CE2 3.55Å; L137-F263 HydrophobicContact CD2-CZ 3.28Å; L137-F263 HydrophobicContact CG-CZ 3.79Å; F189-F263 HydrophobicContact CE2-CE1 4.32Å; F189-F263 HydrophobicContact CZ-CE1 4.44Å; P198-F263 HydrophobicContact CB-CE1 3.74Å; P198-F263 HydrophobicContact CB-CZ 4.04Å; L216-F263 HydrophobicContact CD1-CB 4.01Å; L216-F263 HydrophobicContact CD1-CD1 4.29Å; L216-F263 HydrophobicContact CD1-CD2 3.84Å; L216-F263 HydrophobicContact CD1-CE2 4.48Å; L216-F263 HydrophobicContact CD1-CG 3.76Å; L216-F263 HydrophobicContact CD2-CD2 4.1Å; L216-F263 HydrophobicContact CD2-CE2 4.22Å; L259-F263 HydrophobicContact CD2-CD2 4.3Å; L259-F263 HydrophobicContact CG-CD2 4.42Å; L259-F263 VanDerWaalsContact O-CD2 3.32Å; L259-F263 WeakPolarHBondContact O-CD2 3.33Å; L259-F263 PolarHBondContact O-N 3.13Å; L260-F263 CarbonylContact O-C 3.23Å; L260-F263 PolarHBondContact O-N 3.19Å; I261-F263 VanDerWaalsContact C-N 3.28Å; I261-F263 PolarHBondContact O-N 2.77Å; F263-P265 VanDerWaalsContact C-N 3.32Å; F263-L266 HydrophobicContact CD1-CD1 3.63Å; F263-L266 HydrophobicContact CE1-CD1 4.27Å; F263-L266 PolarHBondContact O-N 3.42Å; F263-L266 VanDerWaalsContact O-N 3.1Å; F263-A267 PolarHBondContact O-N 2.91Å; F263-A267 VanDerWaalsContact O-N 3.13Å
264H90.7Very high92.8Very high42 Ų4227.6 Ų27.619%0.19415%0.15CC..Hα-helixtrans-55.7-36.9179.592.8-92.2000114.4L260 I261 L266 A267 E268 P322L260-H264 PolarHBondContact O-N 2.93Å; I261-H264 WeakPolarHBondContact O-CB 3.42Å; I261-H264 PolarHBondContact O-N 3.49Å; I261-H264 PolarHBondContact O-ND1 3.3Å; H264-L266 PolarHBondContact O-N 3.35Å; H264-A267 PolarHBondContact O-N 2.92Å; H264-E268 PolarHBondContact O-N 3.09Å; H264-P322 HydrophobicContact CB-CB 3.89Å; H264-P322 HydrophobicContact CB-CG 3.76Å
265P90.4Very high92.9Very high52 Ų5231 Ų3134%0.33817%0.171SC..Hα-helixtrans-64.2-27.9-179.1-21.535.3000112.4A202 F263A202-P265 HydrophobicContact CB-CB 4.38Å; F263-P265 VanDerWaalsContact C-N 3.32Å
266L89.9Confident93Very high3 Ų334.4 Ų34.42%0.01619%0.188CC..Hα-helixtrans-79.1-37.7172.9-62.8176.4000111.5F189 V201 A202 N205 P208 L213 F263 H264 E268F189-L266 HydrophobicContact CE1-CD1 4.09Å; F189-L266 HydrophobicContact CZ-CD1 3.98Å; V201-L266 HydrophobicContact CG1-CD1 3.81Å; V201-L266 HydrophobicContact CG1-CD2 4.43Å; A202-L266 HydrophobicContact CB-CD2 4.42Å; N205-L266 HydrophobicContact CB-CD2 4.16Å; P208-L266 HydrophobicContact CB-CD2 4.33Å; P208-L266 VanDerWaalsContact CG-O 3.24Å; P208-L266 WeakPolarHBondContact CG-O 3.31Å; L213-L266 HydrophobicContact CD2-CB 3.94Å; F263-L266 HydrophobicContact CD1-CD1 3.63Å; F263-L266 HydrophobicContact CE1-CD1 4.27Å; F263-L266 PolarHBondContact O-N 3.42Å; F263-L266 VanDerWaalsContact O-N 3.1Å; H264-L266 PolarHBondContact O-N 3.35Å; L266-E268 VanDerWaalsContact C-N 3.33Å; L266-E268 PolarHBondContact O-N 3.03Å
267A89.3Confident93Very high15 Ų1534.5 Ų34.512%0.12419%0.189CC..Hα-helixtrans-69.5-31-179.400000112.6F263 H264 N269 S270 Q274F263-A267 PolarHBondContact O-N 2.91Å; F263-A267 VanDerWaalsContact O-N 3.13Å; H264-A267 PolarHBondContact O-N 2.92Å; A267-N269 VanDerWaalsContact C-N 3.31Å; A267-N269 PolarHBondContact O-N 3.45Å; A267-S270 PolarHBondContact O-N 2.95Å; A267-S270 PolarHBondContact O-OG 3.32Å; A267-S270 VanDerWaalsContact O-OG 3.09Å; A267-Q274 PolarHBondContact O-NE2 2.92Å; A267-Q274 VanDerWaalsContact O-NE2 3.14Å
268E89.5Confident93.1Very high92 Ų9235 Ų3543%0.4319%0.192SC..Hα-helixtrans-56.9-40.1-179-179.5158.5-146.100113.1H264 L266 S270 Q274 N320H264-E268 PolarHBondContact O-N 3.09Å; L266-E268 VanDerWaalsContact C-N 3.33Å; L266-E268 PolarHBondContact O-N 3.03Å; E268-S270 PolarHBondContact O-N 3.06Å; E268-Q274 VanDerWaalsContact CA-NE2 3.3Å; E268-Q274 PolarHBondContact O-NE2 3.02Å; E268-N320 WeakPolarHBondContact CG-ND2 3.22Å; E268-N320 PolarHBondContact OE1-ND2 3.34Å
269N87.8Confident93.1Very high89 Ų8936.7 Ų36.748%0.47620%0.203SC..THydrogen-bonded Turntrans-78.6-2.6-176-64.2-12.9000113.8A206 P208 A267A206-N269 PolarHBondContact O-ND2 2.89Å; P208-N269 HydrophobicContact CG-CB 4.32Å; A267-N269 VanDerWaalsContact C-N 3.31Å; A267-N269 PolarHBondContact O-N 3.45Å
270S90.6Very high93.2Very high12 Ų1238.6 Ų38.68%0.08421%0.213CC..  trans-125.991.6-167.172.40000112.3L213 A267 E268 L272 I273 Q274L213-S270 VanDerWaalsContact CD1-OG 3.29Å; L213-S270 WeakPolarHBondContact CD1-OG 3.47Å; A267-S270 PolarHBondContact O-N 2.95Å; A267-S270 PolarHBondContact O-OG 3.32Å; A267-S270 VanDerWaalsContact O-OG 3.09Å; E268-S270 PolarHBondContact O-N 3.06Å; S270-L272 PolarHBondContact O-N 3.44Å; S270-I273 PolarHBondContact O-N 3.47Å; S270-I273 VanDerWaalsContact O-N 3.09Å; S270-I273 WeakPolarHBondContact OG-CB 3.46Å; S270-I273 WeakPolarHBondContact OG-CD1 3.33Å; S270-I273 WeakPolarHBondContact OG-CG1 3.46Å; S270-Q274 PolarHBondContact O-N 2.62Å
271P91.3Very high93.3Very high92 Ų9238 Ų3860%0.59721%0.21SC*.Hα-helixtrans-65.3-28.1-173.225.4-34.5000112.9I273 Q274 T275P271-I273 VanDerWaalsContact C-N 3.29Å; P271-I273 PolarHBondContact O-N 2.94Å; P271-Q274 PolarHBondContact O-N 3.35Å; P271-T275 WeakPolarHBondContact O-CG2 3.41Å; P271-T275 PolarHBondContact O-N 3.01Å; P271-T275 PolarHBondContact O-OG1 3.26Å
272L94.3Very high93.4Very high90 Ų9038 Ų3847%0.47121%0.21SC..Hα-helixtrans-63.2-36.2176.2-175.366.3000111.9L210 S270 T275 L276L210-L272 HydrophobicContact CD1-CD2 3.78Å; L210-L272 HydrophobicContact CD1-CG 4.42Å; L210-L272 HydrophobicContact CD2-CD2 3.7Å; L210-L272 HydrophobicContact CG-CD2 4.42Å; S270-L272 PolarHBondContact O-N 3.44Å; L272-T275 WeakPolarHBondContact CA-OG1 3.5Å; L272-T275 PolarHBondContact O-OG1 3.03Å; L272-L276 HydrophobicContact CG-CD1 4.21Å; L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 WeakPolarHBondContact O-CG 3.29Å; L272-L276 PolarHBondContact O-N 2.96Å
273I94.8Very high93.5Very high7 Ų739.5 Ų39.54%0.03622%0.219CC..Hα-helixtrans-76.7-41.7-178.1-66.860.5000108.6L210 L213 S270 P271 T275 L276 T277L210-I273 HydrophobicContact CD1-CD1 3.13Å; L210-I273 HydrophobicContact CD1-CG1 3.92Å; L213-I273 HydrophobicContact CB-CD1 4.47Å; L213-I273 HydrophobicContact CB-CG1 3.61Å; L213-I273 HydrophobicContact CB-CG2 4.33Å; L213-I273 HydrophobicContact CD1-CD1 4.19Å; L213-I273 HydrophobicContact CD1-CG1 3.86Å; L213-I273 HydrophobicContact CG-CG1 4.35Å; S270-I273 PolarHBondContact O-N 3.47Å; S270-I273 VanDerWaalsContact O-N 3.09Å; S270-I273 WeakPolarHBondContact OG-CB 3.46Å; S270-I273 WeakPolarHBondContact OG-CD1 3.33Å; S270-I273 WeakPolarHBondContact OG-CG1 3.46Å; P271-I273 VanDerWaalsContact C-N 3.29Å; P271-I273 PolarHBondContact O-N 2.94Å; I273-T275 VanDerWaalsContact C-N 3.32Å; I273-T275 PolarHBondContact O-N 3.12Å; I273-L276 PolarHBondContact O-N 3.26Å; I273-T277 HydrophobicContact CG2-CG2 4.12Å; I273-T277 WeakPolarHBondContact O-CB 3.16Å; I273-T277 VanDerWaalsContact O-CG2 3.26Å; I273-T277 WeakPolarHBondContact O-CG2 3.16Å; I273-T277 PolarHBondContact O-N 3.43Å; I273-T277 PolarHBondContact O-OG1 2.89Å
274Q94.2Very high93.8Very high40 Ų4039.4 Ų39.419%0.18722%0.219CC..Hα-helixtrans-56.4-46.1173-71.8174.511.700111.8A267 E268 S270 P271 T277 L278 G318A267-Q274 PolarHBondContact O-NE2 2.92Å; A267-Q274 VanDerWaalsContact O-NE2 3.14Å; E268-Q274 VanDerWaalsContact CA-NE2 3.3Å; E268-Q274 PolarHBondContact O-NE2 3.02Å; S270-Q274 PolarHBondContact O-N 2.62Å; P271-Q274 PolarHBondContact O-N 3.35Å; Q274-T277 WeakPolarHBondContact CA-OG1 3.43Å; Q274-T277 PolarHBondContact O-N 3.23Å; Q274-T277 PolarHBondContact O-OG1 3.42Å; Q274-L278 VanDerWaalsContact O-CB 3.22Å; Q274-L278 WeakPolarHBondContact O-CB 3.2Å; Q274-L278 PolarHBondContact O-N 2.99Å; Q274-G318 WeakPolarHBondContact CB-O 2.97Å; Q274-G318 WeakPolarHBondContact O-CA 3.45Å
275T95.3Very high94.1Very high71 Ų7137.5 Ų37.544%0.43621%0.211SC..Hα-helixtrans-67.3-40.517751.40000112.9P271 L272 I273 L278 C279P271-T275 WeakPolarHBondContact O-CG2 3.41Å; P271-T275 PolarHBondContact O-N 3.01Å; P271-T275 PolarHBondContact O-OG1 3.26Å; L272-T275 WeakPolarHBondContact CA-OG1 3.5Å; L272-T275 PolarHBondContact O-OG1 3.03Å; I273-T275 VanDerWaalsContact C-N 3.32Å; I273-T275 PolarHBondContact O-N 3.12Å; T275-L278 PolarHBondContact O-N 3.29Å; T275-C279 WeakPolarHBondContact O-CB 3.43Å; T275-C279 PolarHBondContact O-N 3.35Å; T275-C279 PolarHBondContact O-SG 3.42Å
276L95.9Very high94.5Very high73 Ų7337.3 Ų37.338%0.38221%0.207SC..Hα-helixtrans-64.6-44.4175.4-74.4172000112.2L214 L217 L272 I273 C279 L280L214-L276 HydrophobicContact CD2-CD1 3.78Å; L217-L276 HydrophobicContact CD1-CB 4.03Å; L272-L276 HydrophobicContact CG-CD1 4.21Å; L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 WeakPolarHBondContact O-CG 3.29Å; L272-L276 PolarHBondContact O-N 2.96Å; I273-L276 PolarHBondContact O-N 3.26Å; L276-C279 PolarHBondContact O-N 3.31Å; L276-L280 WeakPolarHBondContact O-CB 3.25Å; L276-L280 PolarHBondContact O-N 3.26Å
277T96.2Very high94.8Very high3 Ų338.8 Ų38.82%0.01821%0.213CC..Hα-helixtrans-63-44.3176.651.80000111.2L217 I273 Q274 L280 G281 M314 G318L217-T277 HydrophobicContact CD1-CG2 3.49Å; L217-T277 VanDerWaalsContact CD1-CG2 3.49Å; L217-T277 HydrophobicContact CG-CG2 4.32Å; I273-T277 HydrophobicContact CG2-CG2 4.12Å; I273-T277 WeakPolarHBondContact O-CB 3.16Å; I273-T277 VanDerWaalsContact O-CG2 3.26Å; I273-T277 WeakPolarHBondContact O-CG2 3.16Å; I273-T277 PolarHBondContact O-N 3.43Å; I273-T277 PolarHBondContact O-OG1 2.89Å; Q274-T277 WeakPolarHBondContact CA-OG1 3.43Å; Q274-T277 PolarHBondContact O-N 3.23Å; Q274-T277 PolarHBondContact O-OG1 3.42Å; T277-L280 PolarHBondContact O-N 3.3Å; T277-G281 PolarHBondContact O-N 3.33Å; T277-M314 HydrophobicContact CG2-CE 3.54Å; T277-M314 HydrophobicContact CG2-SD 4.38Å; T277-M314 WeakPolarHBondContact O-CG 3.3Å; T277-G318 VanDerWaalsContact OG1-CA 3.25Å; T277-G318 WeakPolarHBondContact OG1-CA 3.49Å
278L96.8Very high95.2Very high10 Ų1038 Ų385%0.05221%0.207CC..Hα-helixtrans-57.7-52.6175.1-173.184.2000111.9Q274 T275 G281 A282 V315 I319 N405 A408Q274-L278 VanDerWaalsContact O-CB 3.22Å; Q274-L278 WeakPolarHBondContact O-CB 3.2Å; Q274-L278 PolarHBondContact O-N 2.99Å; T275-L278 PolarHBondContact O-N 3.29Å; L278-G281 PolarHBondContact O-N 2.94Å; L278-A282 WeakPolarHBondContact O-CB 3.26Å; L278-A282 PolarHBondContact O-N 2.89Å; L278-V315 HydrophobicContact CD1-CB 4.43Å; L278-V315 HydrophobicContact CD1-CG1 3.74Å; L278-I319 HydrophobicContact CD1-CG2 3.56Å; L278-N405 HydrophobicContact CD2-CB 3.94Å; L278-A408 HydrophobicContact CD2-CB 3.74Å; L278-A408 HydrophobicContact CG-CB 3.87Å
279C96.9Very high95.5Very high35 Ų3533.7 Ų33.724%0.23619%0.186CC..Hα-helixtrans-64.4-43.9-178.4-73.20000111.8T275 L276 A282 I283T275-C279 WeakPolarHBondContact O-CB 3.43Å; T275-C279 PolarHBondContact O-N 3.35Å; T275-C279 PolarHBondContact O-SG 3.42Å; L276-C279 PolarHBondContact O-N 3.31Å; C279-A282 PolarHBondContact O-N 2.94Å; C279-I283 WeakPolarHBondContact O-CD1 3.16Å; C279-I283 VanDerWaalsContact O-CG1 3.24Å; C279-I283 WeakPolarHBondContact O-CG1 3.16Å; C279-I283 PolarHBondContact O-N 3.46Å; C279-I283 VanDerWaalsContact O-N 3.08Å
280L97.4Very high95.9Very high40 Ų4031.3 Ų31.321%0.20918%0.175CC..Hα-helixtrans-61.9-45.9177.9-176.2123.3000111.1L217 Q226 L276 T277 T284 M314L217-L280 HydrophobicContact CD2-CD1 4.4Å; Q226-L280 HydrophobicContact CB-CD2 3.53Å; Q226-L280 HydrophobicContact CB-CG 4.27Å; Q226-L280 HydrophobicContact CG-CD2 3.64Å; L276-L280 WeakPolarHBondContact O-CB 3.25Å; L276-L280 PolarHBondContact O-N 3.26Å; T277-L280 PolarHBondContact O-N 3.3Å; L280-T284 VanDerWaalsContact O-CG2 3.27Å; L280-T284 WeakPolarHBondContact O-CG2 3.49Å; L280-T284 PolarHBondContact O-N 3.15Å; L280-T284 VanDerWaalsContact O-N 3.16Å; L280-T284 PolarHBondContact O-OG1 2.83Å; L280-M314 HydrophobicContact CD2-CE 3.8Å; L280-M314 HydrophobicContact CD2-CG 4.25Å
281G97.3Very high96.2Very high0 Ų030.7 Ų30.70%017%0.171CC..Hα-helixtrans-63.5-42.5175.600000113.4T277 L278 I283 T284 T285 G311T277-G281 PolarHBondContact O-N 3.33Å; L278-G281 PolarHBondContact O-N 2.94Å; G281-I283 PolarHBondContact O-N 2.94Å; G281-T284 WeakPolarHBondContact CA-OG1 3.46Å; G281-T284 PolarHBondContact O-N 2.98Å; G281-T284 PolarHBondContact O-OG1 3.19Å; G281-T285 WeakPolarHBondContact O-CG2 3.38Å; G281-T285 PolarHBondContact O-N 3.06Å; G281-G311 WeakPolarHBondContact CA-O 3.4Å
282A97.4Very high96.5Very high0 Ų026.3 Ų26.30%014%0.143CC..Hα-helixtrans-62.6-44.9179.400000111.2L278 C279 T284 T285 L286 V315 A408 I411 T412L278-A282 WeakPolarHBondContact O-CB 3.26Å; L278-A282 PolarHBondContact O-N 2.89Å; C279-A282 PolarHBondContact O-N 2.94Å; A282-T284 VanDerWaalsContact C-N 3.31Å; A282-T284 PolarHBondContact O-N 3.18Å; A282-T285 PolarHBondContact O-N 2.87Å; A282-T285 PolarHBondContact O-OG1 3.16Å; A282-L286 PolarHBondContact O-N 2.85Å; A282-V315 HydrophobicContact CB-CG2 4.22Å; A282-A408 HydrophobicContact CB-CB 3.79Å; A282-I411 HydrophobicContact CB-CG2 4.28Å; A282-I411 WeakPolarHBondContact O-CG2 3.28Å; A282-T412 HydrophobicContact CB-CG2 4.06Å
283I97.1Very high96.5Very high58 Ų5824.2 Ų24.230%0.29713%0.132SC..Hα-helixtrans-65-37.7179.2-58.7160.2000111.2L227 C279 G281 F287 W407L227-I283 HydrophobicContact CD1-CG2 4.05Å; L227-I283 HydrophobicContact CD2-CB 4.33Å; L227-I283 HydrophobicContact CD2-CG2 3.46Å; L227-I283 VanDerWaalsContact CD2-CG2 3.46Å; L227-I283 HydrophobicContact CG-CG2 4.25Å; C279-I283 WeakPolarHBondContact O-CD1 3.16Å; C279-I283 VanDerWaalsContact O-CG1 3.24Å; C279-I283 WeakPolarHBondContact O-CG1 3.16Å; C279-I283 PolarHBondContact O-N 3.46Å; C279-I283 VanDerWaalsContact O-N 3.08Å; G281-I283 PolarHBondContact O-N 2.94Å; I283-F287 VanDerWaalsContact O-CB 3.28Å; I283-F287 WeakPolarHBondContact O-CB 3.32Å; I283-F287 PolarHBondContact O-N 3.09Å; I283-W407 HydrophobicContact CD1-CH2 3.8Å; I283-W407 HydrophobicContact CD1-CZ3 4.29Å; I283-W407 HydrophobicContact CG1-CH2 3.43Å; I283-W407 VanDerWaalsContact CG1-CH2 3.43Å; I283-W407 HydrophobicContact CG1-CZ2 4.46Å; I283-W407 HydrophobicContact CG1-CZ3 3.98Å
284T97.4Very high96.5Very high3 Ų324.7 Ų24.72%0.01814%0.135CC..Hα-helixtrans-67.9-42.4178.852.10000112.8Q226 L227 L280 G281 A282 L286 F287 A288 G311Q226-T284 HydrophobicContact CB-CG2 3.89Å; Q226-T284 VanDerWaalsContact OE1-CG2 3.24Å; Q226-T284 PolarHBondContact OE1-OG1 3.5Å; L227-T284 HydrophobicContact CB-CG2 3.54Å; L280-T284 VanDerWaalsContact O-CG2 3.27Å; L280-T284 WeakPolarHBondContact O-CG2 3.49Å; L280-T284 PolarHBondContact O-N 3.15Å; L280-T284 VanDerWaalsContact O-N 3.16Å; L280-T284 PolarHBondContact O-OG1 2.83Å; G281-T284 WeakPolarHBondContact CA-OG1 3.46Å; G281-T284 PolarHBondContact O-N 2.98Å; G281-T284 PolarHBondContact O-OG1 3.19Å; A282-T284 VanDerWaalsContact C-N 3.31Å; A282-T284 PolarHBondContact O-N 3.18Å; T284-L286 VanDerWaalsContact C-N 3.25Å; T284-L286 PolarHBondContact O-N 2.72Å; T284-F287 PolarHBondContact O-N 3.03Å; T284-A288 VanDerWaalsContact O-CB 3.28Å; T284-A288 WeakPolarHBondContact O-CB 3.45Å; T284-A288 PolarHBondContact O-N 2.58Å; T284-G311 WeakPolarHBondContact OG1-CA 3.24Å
285T97.1Very high96.6Very high3 Ų323.5 Ų23.52%0.01813%0.129CC..Hα-helixtrans-53.6-47.3177.5620000111.2G281 A282 A289 S308 L312 A415G281-T285 WeakPolarHBondContact O-CG2 3.38Å; G281-T285 PolarHBondContact O-N 3.06Å; A282-T285 PolarHBondContact O-N 2.87Å; A282-T285 PolarHBondContact O-OG1 3.16Å; T285-A289 WeakPolarHBondContact O-CB 3.24Å; T285-A289 PolarHBondContact O-N 3.11Å; T285-A289 VanDerWaalsContact O-N 3.11Å; T285-S308 VanDerWaalsContact CG2-O 3.31Å; T285-S308 WeakPolarHBondContact CG2-O 3.48Å; T285-S308 PolarHBondContact O-OG 2.73Å; T285-S308 VanDerWaalsContact O-OG 3.04Å; T285-L312 HydrophobicContact CG2-CB 4.03Å; T285-A415 WeakPolarHBondContact OG1-CB 3.21Å
286L97.3Very high96.7Very high48 Ų4821.5 Ų21.525%0.25112%0.116SC..Hα-helixtrans-71.7-51.2-177.8-176.973.7000111.8A282 T284 A288 A289 V290 I411 I414 L418A282-L286 PolarHBondContact O-N 2.85Å; T284-L286 VanDerWaalsContact C-N 3.25Å; T284-L286 PolarHBondContact O-N 2.72Å; L286-A288 VanDerWaalsContact C-N 3.31Å; L286-A288 PolarHBondContact O-N 3.43Å; L286-A289 PolarHBondContact O-N 3.36Å; L286-V290 HydrophobicContact CD1-CG2 4.35Å; L286-V290 HydrophobicContact CG-CG2 4.38Å; L286-V290 WeakPolarHBondContact O-CG2 3.36Å; L286-V290 PolarHBondContact O-N 3.24Å; L286-I411 HydrophobicContact CB-CG2 3.52Å; L286-I411 HydrophobicContact CD1-CG2 4.37Å; L286-I411 HydrophobicContact CD2-CD1 4.46Å; L286-I411 HydrophobicContact CD2-CG1 4.45Å; L286-I411 HydrophobicContact CD2-CG2 3.9Å; L286-I411 HydrophobicContact CG-CG2 4.12Å; L286-I414 HydrophobicContact CD1-CB 4.31Å; L286-I414 HydrophobicContact CD1-CG2 3.77Å; L286-L418 HydrophobicContact CD1-CD1 4.33Å
287F97.2Very high96.7Very high33 Ų3320 Ų2015%0.14511%0.108CC..Hα-helixtrans-58.2-46.4-177.1178.3-95.2000111.2L227 H230 I283 T284 V290 C291 F522L227-F287 HydrophobicContact CD1-CB 3.78Å; L227-F287 HydrophobicContact CD1-CD1 3.91Å; L227-F287 HydrophobicContact CD1-CD2 4.32Å; L227-F287 HydrophobicContact CD1-CG 3.72Å; H230-F287 AromaticContact CD2-CE1 3.55Å; H230-F287 AromaticContact CE1-CE1 3.76Å; H230-F287 AromaticContact NE2-CE1 3.21Å; H230-F287 WeakPolarHBondContact NE2-CE1 3.33Å; H230-F287 AromaticContact NE2-CZ 3.71Å; I283-F287 VanDerWaalsContact O-CB 3.28Å; I283-F287 WeakPolarHBondContact O-CB 3.32Å; I283-F287 PolarHBondContact O-N 3.09Å; T284-F287 PolarHBondContact O-N 3.03Å; F287-V290 PolarHBondContact O-N 2.97Å; F287-C291 PolarHBondContact O-N 3.36Å; F287-C291 PolarHBondContact O-SG 2.8Å; F287-F522 HydrophobicContact CE2-CZ 4.38Å
288A96.9Very high96.8Very high0 Ų019.9 Ų19.90%011%0.108CC..Hα-helixtrans-65.2-42.1177.500000111.9T284 L286 C291 A292 F304T284-A288 VanDerWaalsContact O-CB 3.28Å; T284-A288 WeakPolarHBondContact O-CB 3.45Å; T284-A288 PolarHBondContact O-N 2.58Å; L286-A288 VanDerWaalsContact C-N 3.31Å; L286-A288 PolarHBondContact O-N 3.43Å; A288-C291 PolarHBondContact O-N 3.07Å; A288-A292 WeakPolarHBondContact O-CB 3.4Å; A288-A292 PolarHBondContact O-N 3.11Å; A288-F304 HydrophobicContact CB-CD1 4.27Å
289A96.9Very high96.7Very high0 Ų019.6 Ų19.60%011%0.106CC..Hα-helixtrans-64.9-40.4178.700000112.6T285 L286 A292 L293 L418 Y422T285-A289 WeakPolarHBondContact O-CB 3.24Å; T285-A289 PolarHBondContact O-N 3.11Å; T285-A289 VanDerWaalsContact O-N 3.11Å; L286-A289 PolarHBondContact O-N 3.36Å; A289-A292 PolarHBondContact O-N 3.05Å; A289-L293 PolarHBondContact O-N 3.38Å; A289-L418 HydrophobicContact CB-CB 3.74Å; A289-L418 HydrophobicContact CB-CD1 4.03Å; A289-Y422 HydrophobicContact CB-CE1 4.11Å
290V96.8Very high96.7Very high39 Ų3920.4 Ų20.424%0.23611%0.105CC..Hα-helixtrans-63.6-43.1175.3171.10000111.1L286 F287 L293 L418 S523L286-V290 HydrophobicContact CD1-CG2 4.35Å; L286-V290 HydrophobicContact CG-CG2 4.38Å; L286-V290 WeakPolarHBondContact O-CG2 3.36Å; L286-V290 PolarHBondContact O-N 3.24Å; F287-V290 PolarHBondContact O-N 2.97Å; V290-L293 PolarHBondContact O-N 2.83Å; V290-L418 HydrophobicContact CG2-CD1 3.71Å; V290-S523 WeakPolarHBondContact O-CB 3.41Å
291C96.4Very high96.7Very high0 Ų018.7 Ų18.70%010%0.096CC..Hα-helixtrans-62.4-42.8175.7-66.50000111.4F287 A288 L293 T294 Q295 F304 L526F287-C291 PolarHBondContact O-N 3.36Å; F287-C291 PolarHBondContact O-SG 2.8Å; A288-C291 PolarHBondContact O-N 3.07Å; C291-L293 PolarHBondContact O-N 3.04Å; C291-L293 VanDerWaalsContact O-N 3.16Å; C291-T294 PolarHBondContact O-N 3.21Å; C291-Q295 WeakPolarHBondContact O-CG 3.2Å; C291-F304 HydrophobicContact CB-CD1 4.01Å; C291-F304 HydrophobicContact CB-CD2 4.36Å; C291-F304 HydrophobicContact CB-CE1 3.98Å; C291-F304 HydrophobicContact CB-CE2 4.35Å; C291-F304 HydrophobicContact CB-CG 4.22Å; C291-F304 HydrophobicContact CB-CZ 4.18Å; C291-L526 HydrophobicContact CB-CD2 3.88Å
292A96.6Very high96.7Very high0 Ų018.8 Ų18.80%010%0.097CC..Hα-helixtrans-59.2-28.6-178.500000114.1A288 A289 T294 F304 Y422A288-A292 WeakPolarHBondContact O-CB 3.4Å; A288-A292 PolarHBondContact O-N 3.11Å; A289-A292 PolarHBondContact O-N 3.05Å; A292-T294 VanDerWaalsContact C-N 3.32Å; A292-T294 PolarHBondContact O-N 3.43Å; A292-F304 HydrophobicContact CB-CB 3.72Å; A292-Y422 HydrophobicContact CB-CD1 3.66Å; A292-Y422 HydrophobicContact CB-CE1 4.12Å; A292-Y422 HydrophobicContact CB-CG 3.9Å
293L94.9Very high96.6Very high46 Ų4618.8 Ų18.824%0.24110%0.097CC..THydrogen-bonded Turntrans-63.5-33.6-175.9-71.3166.9000113.8A289 V290 C291 L418 A421 R425A289-L293 PolarHBondContact O-N 3.38Å; V290-L293 PolarHBondContact O-N 2.83Å; C291-L293 PolarHBondContact O-N 3.04Å; C291-L293 VanDerWaalsContact O-N 3.16Å; L293-L418 HydrophobicContact CD1-CD1 4.33Å; L293-L418 HydrophobicContact CD1-CD2 3.76Å; L293-L418 HydrophobicContact CD2-CD2 4.41Å; L293-A421 HydrophobicContact CD2-CB 3.99Å; L293-R425 WeakPolarHBondContact O-CD 3.28Å; L293-R425 PolarHBondContact O-NE 2.89Å; L293-R425 VanDerWaalsContact O-NE 3.07Å; L293-R425 PolarHBondContact O-NH1 2.96Å
294T95.4Very high96.6Very high16 Ų1616.2 Ų16.210%0.0988%0.083CC..THydrogen-bonded Turntrans-111.2-10-171.554.50000114C291 A292 R425 F520 S523 N524C291-T294 PolarHBondContact O-N 3.21Å; A292-T294 VanDerWaalsContact C-N 3.32Å; A292-T294 PolarHBondContact O-N 3.43Å; T294-R425 PolarHBondContact O-NH2 2.93Å; T294-F520 HydrophobicContact CG2-CD2 3.72Å; T294-F520 HydrophobicContact CG2-CE2 3.85Å; T294-S523 WeakPolarHBondContact CG2-OG 3.45Å; T294-S523 VanDerWaalsContact OG1-C 3.25Å; T294-S523 WeakPolarHBondContact OG1-CB 3.5Å; T294-S523 PolarHBondContact OG1-OG 2.81Å; T294-N524 WeakPolarHBondContact OG1-CA 3.43Å; T294-N524 PolarHBondContact OG1-N 2.86Å
295Q96.4Very high96.5Very high16 Ų1616.1 Ų16.18%0.0758%0.083CC..  trans-62150.1172.8-66.3-57.2-37.200111.6C291 I301 F304 R425 N524 L526C291-Q295 WeakPolarHBondContact O-CG 3.2Å; Q295-I301 HydrophobicContact CB-CG1 3.93Å; Q295-I301 WeakPolarHBondContact O-CD1 3.41Å; Q295-F304 HydrophobicContact CG-CD2 4.05Å; Q295-F304 HydrophobicContact CG-CE2 3.92Å; Q295-R425 PolarHBondContact O-NH2 2.98Å; Q295-N524 PolarHBondContact NE2-O 3.32Å; Q295-L526 VanDerWaalsContact NE2-CD2 3.31Å
296N96.3Very high96.5Very high28 Ų2816 Ų1615%0.158%0.082CC..  trans-113.9-24.1-178.2-62.3-42.8000113.1I298 D355 I356 R425N296-I298 PolarHBondContact O-N 3.16Å; N296-D355 WeakPolarHBondContact CB-OD1 3.27Å; N296-I356 HydrophobicContact CB-CG1 4.46Å; N296-I356 WeakPolarHBondContact O-CG1 3.19Å; N296-I356 WeakPolarHBondContact O-CG2 3.33Å; N296-I356 PolarHBondContact O-N 3Å; N296-R425 PolarHBondContact OD1-NH2 3.02Å; N296-R425 VanDerWaalsContact OD1-NH2 3.11Å
297D96.8Very high96.5Very high42 Ų4214.1 Ų14.123%0.2257%0.073CC..BIsolated β-bridgetrans-73.5121175.1-61.5-29.2000109.6K299 K300 I301D297-K299 PolarHBondContact O-N 2.84Å; D297-K300 HydrophobicContact CB-CB 4.02Å; D297-K300 HydrophobicContact CB-CD 4Å; D297-K300 HydrophobicContact CB-CG 3.92Å; D297-K300 PolarHBondContact O-N 3.4Å; D297-K300 WeakPolarHBondContact OD2-CD 3.12Å; D297-K300 VanDerWaalsContact OD2-CE 3.28Å; D297-K300 WeakPolarHBondContact OD2-CE 3.2Å; D297-K300 IonicContact OD2-NZ 2.66Å; D297-K300 PolarHBondContact OD2-NZ 2.74Å; D297-I301 WeakPolarHBondContact O-CG1 2.98Å; D297-I301 PolarHBondContact O-N 3.27Å
298I96.6Very high96.4Very high1 Ų112.7 Ų12.71%0.0057%0.067CC..Hα-helixtrans-57.3-38.6-176.8-164.6170.2000111.7N296 I301 V302 I347 Q354 I356 M359 M426 T430N296-I298 PolarHBondContact O-N 3.16Å; I298-I301 PolarHBondContact O-N 2.88Å; I298-V302 WeakPolarHBondContact O-CG2 3.42Å; I298-V302 PolarHBondContact O-N 3.11Å; I298-V302 VanDerWaalsContact O-N 3.09Å; I298-I347 HydrophobicContact CG2-CD1 3.88Å; I298-I347 HydrophobicContact CG2-CG1 4.17Å; I298-Q354 PolarHBondContact N-O 3.43Å; I298-I356 HydrophobicContact CB-CG2 3.93Å; I298-I356 HydrophobicContact CG1-CG2 4.3Å; I298-M359 HydrophobicContact CD1-SD 4.38Å; I298-M359 HydrophobicContact CG2-CE 4.26Å; I298-M426 HydrophobicContact CG1-CG 4.41Å; I298-T430 HydrophobicContact CD1-CG2 4Å
299K96.5Very high96.5Very high3 Ų312.8 Ų12.81%0.0137%0.068CC..Hα-helixtrans-64.4-42.3176.9-67.6179.271.7-177.60112M237 G239 T241 D297 V302 A303 I347M237-K299 HydrophobicContact CB-CB 4.12Å; M237-K299 HydrophobicContact CG-CB 4.08Å; M237-K299 WeakPolarHBondContact O-CE 3.43Å; M237-K299 PolarHBondContact O-NZ 3.44Å; M237-K299 HydrophobicContact SD-CB 3.89Å; G239-K299 PolarHBondContact O-NZ 2.83Å; T241-K299 HydrophobicContact CG2-CD 3.96Å; D297-K299 PolarHBondContact O-N 2.84Å; K299-V302 PolarHBondContact O-N 3.33Å; K299-A303 VanDerWaalsContact O-CB 3.3Å; K299-A303 WeakPolarHBondContact O-CB 3.11Å; K299-A303 PolarHBondContact O-N 3.02Å; K299-I347 HydrophobicContact CD-CD1 3.93Å; K299-I347 HydrophobicContact CG-CD1 3.84Å
300K95.7Very high96.4Very high52 Ų5212.8 Ų12.823%0.2267%0.068CC..Hα-helixtrans-67.8-36.8178.2-68-177.9-176.1149.10111.8M237 D297 A303 F304M237-K300 HydrophobicContact CB-CG 4.46Å; M237-K300 HydrophobicContact CG-CG 4.29Å; D297-K300 HydrophobicContact CB-CB 4.02Å; D297-K300 HydrophobicContact CB-CD 4Å; D297-K300 HydrophobicContact CB-CG 3.92Å; D297-K300 PolarHBondContact O-N 3.4Å; D297-K300 WeakPolarHBondContact OD2-CD 3.12Å; D297-K300 VanDerWaalsContact OD2-CE 3.28Å; D297-K300 WeakPolarHBondContact OD2-CE 3.2Å; D297-K300 IonicContact OD2-NZ 2.66Å; D297-K300 PolarHBondContact OD2-NZ 2.74Å; K300-A303 WeakPolarHBondContact O-CB 3.47Å; K300-A303 PolarHBondContact O-N 3.03Å; K300-F304 WeakPolarHBondContact O-CD2 3.41Å; K300-F304 PolarHBondContact O-N 3.08Å
301I97.3Very high96.4Very high4 Ų411 Ų112%0.0216%0.057CC..Hα-helixtrans-60.9-47.9173.7-63.2165.1000109.9Q295 D297 I298 A303 F304 S305 I356Q295-I301 HydrophobicContact CB-CG1 3.93Å; Q295-I301 WeakPolarHBondContact O-CD1 3.41Å; D297-I301 WeakPolarHBondContact O-CG1 2.98Å; D297-I301 PolarHBondContact O-N 3.27Å; I298-I301 PolarHBondContact O-N 2.88Å; I301-A303 VanDerWaalsContact C-N 3.32Å; I301-A303 PolarHBondContact O-N 3.21Å; I301-F304 PolarHBondContact O-N 2.86Å; I301-S305 WeakPolarHBondContact O-CB 3.33Å; I301-S305 PolarHBondContact O-N 2.8Å; I301-I356 HydrophobicContact CD1-CD1 3.78Å; I301-I356 HydrophobicContact CD1-CG2 4.28Å
302V96.8Very high96.5Very high2 Ų211.5 Ų11.51%0.0126%0.059CC..Hα-helixtrans-64.6-37.8177.3-176.60000110.9I298 K299 S305 T306 L339 F340I298-V302 WeakPolarHBondContact O-CG2 3.42Å; I298-V302 PolarHBondContact O-N 3.11Å; I298-V302 VanDerWaalsContact O-N 3.09Å; K299-V302 PolarHBondContact O-N 3.33Å; V302-S305 WeakPolarHBondContact CA-OG 3.5Å; V302-S305 WeakPolarHBondContact O-CB 3.06Å; V302-S305 PolarHBondContact O-N 3.28Å; V302-S305 PolarHBondContact O-OG 3.41Å; V302-T306 PolarHBondContact O-N 3.05Å; V302-L339 HydrophobicContact CG1-CB 4.17Å; V302-L339 HydrophobicContact CG2-CB 4.46Å; V302-F340 HydrophobicContact CB-CD1 4.44Å; V302-F340 HydrophobicContact CB-CE1 3.97Å; V302-F340 HydrophobicContact CB-CE2 4.42Å; V302-F340 HydrophobicContact CB-CZ 3.96Å; V302-F340 HydrophobicContact CG1-CD1 4.11Å; V302-F340 HydrophobicContact CG1-CD2 3.76Å; V302-F340 HydrophobicContact CG1-CE1 3.82Å; V302-F340 HydrophobicContact CG1-CE2 3.45Å; V302-F340 VanDerWaalsContact CG1-CE2 3.45Å; V302-F340 HydrophobicContact CG1-CG 4.08Å; V302-F340 HydrophobicContact CG1-CZ 3.48Å; V302-F340 VanDerWaalsContact CG1-CZ 3.48Å
303A95.8Very high96.5Very high0 Ų011.5 Ų11.50%06%0.059CC..Hα-helixtrans-61.7-47.9174.900000113.6L233 M237 K299 K300 I301 S305 T306 S307L233-A303 HydrophobicContact CD2-CB 3.56Å; L233-A303 WeakPolarHBondContact CD2-O 3.47Å; M237-A303 HydrophobicContact CE-CB 3.49Å; M237-A303 VanDerWaalsContact CE-CB 3.49Å; M237-A303 HydrophobicContact CG-CB 3.88Å; M237-A303 HydrophobicContact SD-CB 3.81Å; K299-A303 VanDerWaalsContact O-CB 3.3Å; K299-A303 WeakPolarHBondContact O-CB 3.11Å; K299-A303 PolarHBondContact O-N 3.02Å; K300-A303 WeakPolarHBondContact O-CB 3.47Å; K300-A303 PolarHBondContact O-N 3.03Å; I301-A303 VanDerWaalsContact C-N 3.32Å; I301-A303 PolarHBondContact O-N 3.21Å; A303-S305 PolarHBondContact O-N 2.67Å; A303-T306 PolarHBondContact O-N 3.48Å; A303-T306 VanDerWaalsContact O-N 3.09Å; A303-T306 PolarHBondContact O-OG1 3.46Å; A303-S307 PolarHBondContact O-N 2.89Å; A303-S307 VanDerWaalsContact O-N 3.11Å
304F96.9Very high96.6Very high4 Ų49.3 Ų9.32%0.0185%0.048CC..Hα-helixtrans-65.6-33.1174.8-77.3-63.2000111.9P234 A288 C291 A292 Q295 K300 I301 T306 S307 S308 L526P234-F304 HydrophobicContact CB-CE1 4.31Å; P234-F304 HydrophobicContact CB-CE2 4.01Å; P234-F304 HydrophobicContact CB-CZ 3.65Å; P234-F304 HydrophobicContact CG-CD1 4.13Å; P234-F304 HydrophobicContact CG-CE1 3.33Å; P234-F304 HydrophobicContact CG-CE2 3.9Å; P234-F304 HydrophobicContact CG-CZ 3.16Å; A288-F304 HydrophobicContact CB-CD1 4.27Å; C291-F304 HydrophobicContact CB-CD1 4.01Å; C291-F304 HydrophobicContact CB-CD2 4.36Å; C291-F304 HydrophobicContact CB-CE1 3.98Å; C291-F304 HydrophobicContact CB-CE2 4.35Å; C291-F304 HydrophobicContact CB-CG 4.22Å; C291-F304 HydrophobicContact CB-CZ 4.18Å; A292-F304 HydrophobicContact CB-CB 3.72Å; Q295-F304 HydrophobicContact CG-CD2 4.05Å; Q295-F304 HydrophobicContact CG-CE2 3.92Å; K300-F304 WeakPolarHBondContact O-CD2 3.41Å; K300-F304 PolarHBondContact O-N 3.08Å; I301-F304 PolarHBondContact O-N 2.86Å; F304-T306 VanDerWaalsContact C-N 3.26Å; F304-T306 PolarHBondContact O-N 3.26Å; F304-S307 PolarHBondContact O-N 2.88Å; F304-S308 WeakPolarHBondContact O-CB 3.4Å; F304-S308 PolarHBondContact O-N 3.32Å; F304-L526 HydrophobicContact CE1-CD2 4.06Å; F304-L526 HydrophobicContact CE2-CD2 3.56Å; F304-L526 HydrophobicContact CZ-CD1 3.87Å; F304-L526 HydrophobicContact CZ-CD2 3.17Å; F304-L526 HydrophobicContact CZ-CG 4.11Å
305S96.8Very high96.7Very high2 Ų28.8 Ų8.81%0.0145%0.045CC..Hα-helixtrans-66.5-25.1173.782.50000113I301 V302 A303 Q309 K336 Y422I301-S305 WeakPolarHBondContact O-CB 3.33Å; I301-S305 PolarHBondContact O-N 2.8Å; V302-S305 WeakPolarHBondContact CA-OG 3.5Å; V302-S305 WeakPolarHBondContact O-CB 3.06Å; V302-S305 PolarHBondContact O-N 3.28Å; V302-S305 PolarHBondContact O-OG 3.41Å; A303-S305 PolarHBondContact O-N 2.67Å; S305-Q309 VanDerWaalsContact O-CG 3.26Å; S305-Q309 WeakPolarHBondContact O-CG 3.16Å; S305-Q309 PolarHBondContact O-N 3.05Å; S305-K336 VanDerWaalsContact CB-NZ 3.33Å; S305-K336 PolarHBondContact O-NZ 3.04Å; S305-K336 PolarHBondContact OG-NZ 3.11Å; S305-Y422 VanDerWaalsContact CB-CE2 3.44Å; S305-Y422 WeakPolarHBondContact CB-OH 3.17Å
306T96.6Very high96.7Very high0 Ų08 Ų80%04%0.041CC..Hα-helixtrans-77.8-46.2172.359.50000110.3H248 V302 A303 F304 S308 Q309 L310 K336 F340H248-T306 HydrophobicContact CB-CG2 4.29Å; H248-T306 WeakPolarHBondContact O-CG2 3.48Å; V302-T306 PolarHBondContact O-N 3.05Å; A303-T306 PolarHBondContact O-N 3.48Å; A303-T306 VanDerWaalsContact O-N 3.09Å; A303-T306 PolarHBondContact O-OG1 3.46Å; F304-T306 VanDerWaalsContact C-N 3.26Å; F304-T306 PolarHBondContact O-N 3.26Å; T306-S308 PolarHBondContact O-N 3.49Å; T306-Q309 PolarHBondContact O-N 3.28Å; T306-L310 WeakPolarHBondContact O-CD1 3.37Å; T306-L310 VanDerWaalsContact O-CG 3.27Å; T306-L310 WeakPolarHBondContact O-CG 3.26Å; T306-L310 PolarHBondContact O-N 3.47Å; T306-K336 HydrophobicContact CG2-CD 3.72Å; T306-K336 HydrophobicContact CG2-CG 3.97Å; T306-F340 HydrophobicContact CG2-CE2 4.17Å
307S96.1Very high96.6Very high8 Ų87.3 Ų7.36%0.0564%0.037CC..Hα-helixtrans-53.6-41.1174.1177.50000111.9A303 F304 L310 G311A303-S307 PolarHBondContact O-N 2.89Å; A303-S307 VanDerWaalsContact O-N 3.11Å; F304-S307 PolarHBondContact O-N 2.88Å; S307-L310 PolarHBondContact O-N 2.9Å; S307-G311 PolarHBondContact O-N 3.37Å
308S97Very high96.6Very high3 Ų35.6 Ų5.62%0.0213%0.03CC..Hα-helixtrans-63.6-42.7175.7-174.50000112.9T285 F304 T306 G311 L312T285-S308 VanDerWaalsContact CG2-O 3.31Å; T285-S308 WeakPolarHBondContact CG2-O 3.48Å; T285-S308 PolarHBondContact O-OG 2.73Å; T285-S308 VanDerWaalsContact O-OG 3.04Å; F304-S308 WeakPolarHBondContact O-CB 3.4Å; F304-S308 PolarHBondContact O-N 3.32Å; T306-S308 PolarHBondContact O-N 3.49Å; S308-G311 PolarHBondContact O-N 2.87Å; S308-L312 PolarHBondContact O-N 3.07Å; S308-L312 VanDerWaalsContact O-N 3.13Å
309Q97.3Very high96.4Very high2 Ų26.4 Ų6.41%0.0093%0.034CC..Hα-helixtrans-71.8-33.6178-63-62.3-17.400112.5S305 T306 G311 L312 M313 H328S305-Q309 VanDerWaalsContact O-CG 3.26Å; S305-Q309 WeakPolarHBondContact O-CG 3.16Å; S305-Q309 PolarHBondContact O-N 3.05Å; T306-Q309 PolarHBondContact O-N 3.28Å; Q309-G311 VanDerWaalsContact C-N 3.32Å; Q309-L312 CarbonylContact O-C 3.37Å; Q309-L312 WeakPolarHBondContact O-CA 3.48Å; Q309-L312 WeakPolarHBondContact O-CB 3.03Å; Q309-L312 PolarHBondContact O-N 2.94Å; Q309-L312 VanDerWaalsContact O-N 3.09Å; Q309-M313 WeakPolarHBondContact O-CG 3.44Å; Q309-M313 PolarHBondContact O-N 3.47Å; Q309-H328 PolarHBondContact OE1-NE2 3.38Å
310L95.9Very high96.3Very high1 Ų18.4 Ų8.41%0.0055%0.045CC..Hα-helixtrans-66.8-35.1173.6-69.1158.7000111.8Q226 L233 V253 V254 I257 T306 S307 L312 M313 M314Q226-L310 PolarHBondContact NE2-O 3.2Å; L233-L310 HydrophobicContact CD1-CD1 4.43Å; V253-L310 HydrophobicContact CB-CD1 3.82Å; V253-L310 HydrophobicContact CG1-CD1 3.1Å; V253-L310 HydrophobicContact CG1-CD2 4.33Å; V253-L310 HydrophobicContact CG1-CG 4.31Å; V254-L310 HydrophobicContact CG2-CD2 4.26Å; I257-L310 HydrophobicContact CD1-CB 3.87Å; I257-L310 HydrophobicContact CD1-CD2 3.49Å; I257-L310 VanDerWaalsContact CD1-CD2 3.49Å; I257-L310 HydrophobicContact CD1-CG 4.29Å; I257-L310 VanDerWaalsContact CD1-O 3.24Å; I257-L310 WeakPolarHBondContact CD1-O 3.42Å; I257-L310 HydrophobicContact CG1-CD2 4.36Å; T306-L310 WeakPolarHBondContact O-CD1 3.37Å; T306-L310 VanDerWaalsContact O-CG 3.27Å; T306-L310 WeakPolarHBondContact O-CG 3.26Å; T306-L310 PolarHBondContact O-N 3.47Å; S307-L310 PolarHBondContact O-N 2.9Å; L310-L312 VanDerWaalsContact C-N 3.31Å; L310-M313 HydrophobicContact CD2-SD 3.92Å; L310-M313 PolarHBondContact O-N 3.16Å; L310-M314 PolarHBondContact O-N 2.98Å
311G97.2Very high96.2Very high0 Ų08 Ų80%04%0.044CC..Hα-helixtrans-62-39.516800000112G281 T284 S307 S308 Q309 M314 V315G281-G311 WeakPolarHBondContact CA-O 3.4Å; T284-G311 WeakPolarHBondContact OG1-CA 3.24Å; S307-G311 PolarHBondContact O-N 3.37Å; S308-G311 PolarHBondContact O-N 2.87Å; Q309-G311 VanDerWaalsContact C-N 3.32Å; G311-M314 WeakPolarHBondContact O-CB 3.28Å; G311-M314 PolarHBondContact O-N 3.4Å; G311-M314 VanDerWaalsContact O-N 3.11Å; G311-V315 WeakPolarHBondContact O-CG2 3.4Å; G311-V315 PolarHBondContact O-N 3.5Å
312L97.1Very high96.1Very high11 Ų118.1 Ų8.16%0.0584%0.044CC..Hα-helixtrans-67-38.6177.3179141.4000111.2T285 S308 Q309 L310 M314 V315 T316 K392 I395 T416T285-L312 HydrophobicContact CG2-CB 4.03Å; S308-L312 PolarHBondContact O-N 3.07Å; S308-L312 VanDerWaalsContact O-N 3.13Å; Q309-L312 CarbonylContact O-C 3.37Å; Q309-L312 WeakPolarHBondContact O-CA 3.48Å; Q309-L312 WeakPolarHBondContact O-CB 3.03Å; Q309-L312 PolarHBondContact O-N 2.94Å; Q309-L312 VanDerWaalsContact O-N 3.09Å; L310-L312 VanDerWaalsContact C-N 3.31Å; L312-M314 VanDerWaalsContact C-N 3.3Å; L312-M314 PolarHBondContact O-N 3.48Å; L312-V315 WeakPolarHBondContact O-CB 3.37Å; L312-V315 PolarHBondContact O-N 2.97Å; L312-T316 WeakPolarHBondContact O-CG2 3.47Å; L312-T316 PolarHBondContact O-N 3.31Å; L312-K392 HydrophobicContact CD1-CG 4.38Å; L312-I395 HydrophobicContact CD1-CG2 4.47Å; L312-I395 HydrophobicContact CD2-CD1 3.68Å; L312-I395 HydrophobicContact CD2-CG2 3.87Å; L312-I395 HydrophobicContact CG-CG2 4.08Å; L312-T416 HydrophobicContact CD1-CG2 4.25Å
313M97.5Very high95.9Very high0 Ų010.2 Ų10.20%05%0.054CC..Hα-helixtrans-62.5-36.6170.2-64.8169.3-169.600111.9I257 Q309 L310 T316 I317 H328 I329 H332I257-M313 HydrophobicContact CD1-CB 3.55Å; I257-M313 HydrophobicContact CD1-CG 4.35Å; I257-M313 HydrophobicContact CD1-SD 3.91Å; I257-M313 HydrophobicContact CG2-CB 3.95Å; Q309-M313 WeakPolarHBondContact O-CG 3.44Å; Q309-M313 PolarHBondContact O-N 3.47Å; L310-M313 HydrophobicContact CD2-SD 3.92Å; L310-M313 PolarHBondContact O-N 3.16Å; M313-T316 VanDerWaalsContact C-OG1 3.25Å; M313-T316 VanDerWaalsContact CA-OG1 3.29Å; M313-T316 WeakPolarHBondContact CA-OG1 3.16Å; M313-T316 PolarHBondContact O-N 3.2Å; M313-T316 PolarHBondContact O-OG1 2.89Å; M313-I317 WeakPolarHBondContact O-CG1 3.38Å; M313-I317 PolarHBondContact O-N 3.15Å; M313-H328 HydrophobicContact CE-CB 4.48Å; M313-H328 WeakPolarHBondContact CE-CD2 3.09Å; M313-H328 HydrophobicContact CG-CB 4.43Å; M313-I329 HydrophobicContact CE-CG1 4Å; M313-I329 HydrophobicContact CG-CG1 4.48Å; M313-I329 HydrophobicContact SD-CD1 4.4Å; M313-I329 HydrophobicContact SD-CG1 3.47Å; M313-I329 WeakPolarHBondContact SD-CG1 3.18Å; M313-H332 HydrophobicContact CE-CB 3.64Å
314M96.8Very high95.8Very high0 Ų010.5 Ų10.50%06%0.056CC..Hα-helixtrans-67.7-39.1175.7-168.665.4164.600112.1L217 L260 T277 L280 L310 G311 L312 T316 I317 G318L217-M314 HydrophobicContact CD1-CE 4.45Å; L217-M314 HydrophobicContact CG-CE 4.17Å; L260-M314 HydrophobicContact CD1-CE 3.52Å; L260-M314 HydrophobicContact CD1-SD 3.44Å; L260-M314 WeakPolarHBondContact CD1-SD 3.33Å; T277-M314 HydrophobicContact CG2-CE 3.54Å; T277-M314 HydrophobicContact CG2-SD 4.38Å; T277-M314 WeakPolarHBondContact O-CG 3.3Å; L280-M314 HydrophobicContact CD2-CE 3.8Å; L280-M314 HydrophobicContact CD2-CG 4.25Å; L310-M314 PolarHBondContact O-N 2.98Å; G311-M314 WeakPolarHBondContact O-CB 3.28Å; G311-M314 PolarHBondContact O-N 3.4Å; G311-M314 VanDerWaalsContact O-N 3.11Å; L312-M314 VanDerWaalsContact C-N 3.3Å; L312-M314 PolarHBondContact O-N 3.48Å; M314-T316 VanDerWaalsContact C-N 3.29Å; M314-T316 PolarHBondContact O-N 3.49Å; M314-I317 PolarHBondContact O-N 3.44Å; M314-G318 PolarHBondContact O-N 3.33Å
315V97.2Very high95.8Very high5 Ų510.3 Ų10.33%0.036%0.055CC..Hα-helixtrans-58.9-41.8171.6169.60000110.8L278 A282 G311 L312 I317 G318 I319 T412L278-V315 HydrophobicContact CD1-CB 4.43Å; L278-V315 HydrophobicContact CD1-CG1 3.74Å; A282-V315 HydrophobicContact CB-CG2 4.22Å; G311-V315 WeakPolarHBondContact O-CG2 3.4Å; G311-V315 PolarHBondContact O-N 3.5Å; L312-V315 WeakPolarHBondContact O-CB 3.37Å; L312-V315 PolarHBondContact O-N 2.97Å; V315-I317 VanDerWaalsContact C-N 3.31Å; V315-I317 PolarHBondContact O-N 2.99Å; V315-G318 WeakPolarHBondContact O-CA 3.3Å; V315-G318 PolarHBondContact O-N 3.04Å; V315-I319 PolarHBondContact O-N 3.09Å; V315-I319 VanDerWaalsContact O-N 3.08Å; V315-T412 HydrophobicContact CB-CG2 4.41Å; V315-T412 HydrophobicContact CG1-CG2 3.99Å; V315-T412 HydrophobicContact CG2-CG2 3.74Å
316T96.1Very high95.7Very high0 Ų010.2 Ų10.20%05%0.054CC..Hα-helixtrans-65.9-31.9179.851.90000114.1L312 M313 M314 I319 Q321 A325 I395L312-T316 WeakPolarHBondContact O-CG2 3.47Å; L312-T316 PolarHBondContact O-N 3.31Å; M313-T316 VanDerWaalsContact C-OG1 3.25Å; M313-T316 VanDerWaalsContact CA-OG1 3.29Å; M313-T316 WeakPolarHBondContact CA-OG1 3.16Å; M313-T316 PolarHBondContact O-N 3.2Å; M313-T316 PolarHBondContact O-OG1 2.89Å; M314-T316 VanDerWaalsContact C-N 3.29Å; M314-T316 PolarHBondContact O-N 3.49Å; T316-I319 WeakPolarHBondContact O-CG1 3.41Å; T316-Q321 PolarHBondContact O-N 3.49Å; T316-A325 WeakPolarHBondContact OG1-CA 3.31Å; T316-A325 WeakPolarHBondContact OG1-CB 3.43Å; T316-I395 HydrophobicContact CG2-CB 3.8Å; T316-I395 HydrophobicContact CG2-CD1 3.65Å; T316-I395 HydrophobicContact CG2-CG1 3.39Å; T316-I395 HydrophobicContact CG2-CG2 3.17Å
317I95.6Very high95.7Very high13 Ų1310.7 Ų10.77%0.0676%0.057CC..Hα-helixtrans-70.6-38.5172.1-64.4168.4000109.7I257 L260 I261 M313 M314 V315 I319 N320 A325I257-I317 HydrophobicContact CG2-CD1 3.53Å; L260-I317 HydrophobicContact CB-CD1 3.91Å; L260-I317 HydrophobicContact CB-CG2 4.38Å; L260-I317 HydrophobicContact CD1-CD1 4.46Å; I261-I317 HydrophobicContact CD1-CD1 4.48Å; I261-I317 HydrophobicContact CG1-CD1 3.91Å; I261-I317 HydrophobicContact CG1-CG1 4.25Å; M313-I317 WeakPolarHBondContact O-CG1 3.38Å; M313-I317 PolarHBondContact O-N 3.15Å; M314-I317 PolarHBondContact O-N 3.44Å; V315-I317 VanDerWaalsContact C-N 3.31Å; V315-I317 PolarHBondContact O-N 2.99Å; I317-I319 VanDerWaalsContact C-N 3.28Å; I317-I319 PolarHBondContact O-N 2.89Å; I317-N320 PolarHBondContact O-N 3.46Å; I317-A325 HydrophobicContact CD1-CB 4.49Å; I317-A325 HydrophobicContact CG1-CB 3.91Å
318G94.9Very high95.7Very high7 Ų710.4 Ų10.47%0.0725%0.054CC..Hα-helixtrans-64.6-24.4176.900000115.1Q274 T277 M314 V315 N320Q274-G318 WeakPolarHBondContact CB-O 2.97Å; Q274-G318 WeakPolarHBondContact O-CA 3.45Å; T277-G318 VanDerWaalsContact OG1-CA 3.25Å; T277-G318 WeakPolarHBondContact OG1-CA 3.49Å; M314-G318 PolarHBondContact O-N 3.33Å; V315-G318 WeakPolarHBondContact O-CA 3.3Å; V315-G318 PolarHBondContact O-N 3.04Å; G318-N320 VanDerWaalsContact C-N 3.31Å
319I94.1Very high95.6Very high18 Ų1810.2 Ų10.29%0.0925%0.053CC..THydrogen-bonded Turntrans-91.712.817265.5179.4000113.2L278 V315 T316 I317 Q321 A399 T404L278-I319 HydrophobicContact CD1-CG2 3.56Å; V315-I319 PolarHBondContact O-N 3.09Å; V315-I319 VanDerWaalsContact O-N 3.08Å; T316-I319 WeakPolarHBondContact O-CG1 3.41Å; I317-I319 VanDerWaalsContact C-N 3.28Å; I317-I319 PolarHBondContact O-N 2.89Å; I319-Q321 HydrophobicContact CD1-CG 4.41Å; I319-Q321 HydrophobicContact CG1-CB 4.2Å; I319-Q321 HydrophobicContact CG1-CG 4.2Å; I319-Q321 PolarHBondContact O-N 3.15Å; I319-A399 HydrophobicContact CD1-CB 4.23Å; I319-T404 HydrophobicContact CB-CG2 4.39Å; I319-T404 HydrophobicContact CG2-CG2 3.44Å; I319-T404 VanDerWaalsContact CG2-CG2 3.44Å
320N93.5Very high95.6Very high44 Ų4410.2 Ų10.224%0.2355%0.054CC..THydrogen-bonded Turntrans60.240.1-178.5-162.130.3000114.1E268 I317 G318 P322E268-N320 WeakPolarHBondContact CG-ND2 3.22Å; E268-N320 PolarHBondContact OE1-ND2 3.34Å; I317-N320 PolarHBondContact O-N 3.46Å; G318-N320 VanDerWaalsContact C-N 3.31Å; N320-P322 VanDerWaalsContact C-CD 3.42Å; N320-P322 WeakPolarHBondContact O-CD 3.3Å
321Q93.9Very high95.5Very high44 Ų4410.2 Ų10.221%0.2065%0.053CC..  trans-122.967174.3-66.1-62.6-35.600112.2T316 I319 H323 L324 A325 S476T316-Q321 PolarHBondContact O-N 3.49Å; I319-Q321 HydrophobicContact CD1-CG 4.41Å; I319-Q321 HydrophobicContact CG1-CB 4.2Å; I319-Q321 HydrophobicContact CG1-CG 4.2Å; I319-Q321 PolarHBondContact O-N 3.15Å; Q321-H323 VanDerWaalsContact C-N 3.35Å; Q321-H323 PolarHBondContact O-N 2.92Å; Q321-L324 HydrophobicContact CB-CB 4.23Å; Q321-L324 HydrophobicContact CB-CD1 4.02Å; Q321-L324 HydrophobicContact CB-CG 4.44Å; Q321-L324 HydrophobicContact CG-CD1 4.27Å; Q321-L324 PolarHBondContact O-N 3.04Å; Q321-A325 PolarHBondContact O-N 2.63Å; Q321-S476 PolarHBondContact OE1-OG 2.9Å
322P94Very high95.5Very high6 Ų610.2 Ų10.24%0.0395%0.053CC..Hα-helixtrans-67.2-31.6-175.428.3-36.3000113.4I261 H264 N320 A325 F326I261-P322 HydrophobicContact CG1-CB 4.31Å; I261-P322 HydrophobicContact CG2-CB 4.3Å; H264-P322 HydrophobicContact CB-CB 3.89Å; H264-P322 HydrophobicContact CB-CG 3.76Å; N320-P322 VanDerWaalsContact C-CD 3.42Å; N320-P322 WeakPolarHBondContact O-CD 3.3Å; P322-A325 WeakPolarHBondContact O-CB 3.31Å; P322-A325 PolarHBondContact O-N 2.97Å; P322-F326 WeakPolarHBondContact O-CB 3.43Å; P322-F326 PolarHBondContact O-N 2.91Å
323H93.9Very high95.4Very high47 Ų479.8 Ų9.822%0.2185%0.051CC..Hα-helixtrans-66.2-37.2177.8-64.590.7000112Y84 F85 Q321 F326 L327 A475Y84-H323 AromaticContact CE1-CD2 3.91Å; F85-H323 AromaticContact CZ-NE2 3.94Å; Q321-H323 VanDerWaalsContact C-N 3.35Å; Q321-H323 PolarHBondContact O-N 2.92Å; H323-F326 PolarHBondContact O-N 3.5Å; H323-L327 WeakPolarHBondContact O-CB 3.43Å; H323-L327 PolarHBondContact O-N 3.36Å; H323-A475 HydrophobicContact CB-CB 4.45Å
324L94.3Very high95.4Very high5 Ų510.4 Ų10.43%0.0265%0.054CC..Hα-helixtrans-69-39.8173.1-75176.3000111.9Q321 F326 L327 H328 H394 I395 T398 F478Q321-L324 HydrophobicContact CB-CB 4.23Å; Q321-L324 HydrophobicContact CB-CD1 4.02Å; Q321-L324 HydrophobicContact CB-CG 4.44Å; Q321-L324 HydrophobicContact CG-CD1 4.27Å; Q321-L324 PolarHBondContact O-N 3.04Å; L324-F326 VanDerWaalsContact C-N 3.28Å; L324-F326 PolarHBondContact O-N 3.46Å; L324-L327 HydrophobicContact CD2-CD2 4.38Å; L324-L327 PolarHBondContact O-N 3.4Å; L324-H328 PolarHBondContact O-N 3.09Å; L324-H394 HydrophobicContact CD2-CB 4.07Å; L324-I395 HydrophobicContact CB-CG1 4.31Å; L324-T398 HydrophobicContact CD1-CG2 3.78Å; L324-F478 HydrophobicContact CD2-CE1 4.16Å
325A95.9Very high95.3Very high0 Ų010.4 Ų10.40%05%0.054CC..Hα-helixtrans-56.9-45.8172.900000110.9I261 T316 I317 Q321 P322 H328 I329I261-A325 HydrophobicContact CD1-CB 4.03Å; I261-A325 HydrophobicContact CG1-CB 4.38Å; T316-A325 WeakPolarHBondContact OG1-CA 3.31Å; T316-A325 WeakPolarHBondContact OG1-CB 3.43Å; I317-A325 HydrophobicContact CD1-CB 4.49Å; I317-A325 HydrophobicContact CG1-CB 3.91Å; Q321-A325 PolarHBondContact O-N 2.63Å; P322-A325 WeakPolarHBondContact O-CB 3.31Å; P322-A325 PolarHBondContact O-N 2.97Å; A325-H328 PolarHBondContact O-N 2.9Å; A325-I329 WeakPolarHBondContact O-CG1 3.43Å; A325-I329 PolarHBondContact O-N 3.26Å
326F95.6Very high95.3Very high0 Ų010.2 Ų10.20%05%0.053CC..Hα-helixtrans-66.3-42.4177.5-178.2-99.5000113.1Y84 F85 M88 F89 F258 I261 P322 H323 L324 H328 I329 C330Y84-F326 HydrophobicContact CD1-CD1 4.3Å; Y84-F326 HydrophobicContact CD1-CE1 4.41Å; Y84-F326 AromaticContact CE1-CD1 3.49Å; Y84-F326 HydrophobicContact CE1-CD1 3.49Å; Y84-F326 VanDerWaalsContact CE1-CD1 3.49Å; Y84-F326 AromaticContact CE1-CE1 3.83Å; Y84-F326 HydrophobicContact CE1-CE1 3.83Å; Y84-F326 HydrophobicContact CE1-CG 4.39Å; F85-F326 HydrophobicContact CB-CD2 4.43Å; F85-F326 HydrophobicContact CB-CE2 4.07Å; F85-F326 HydrophobicContact CB-CZ 4.33Å; 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 3.56Å; F85-F326 HydrophobicContact CD1-CG 3.56Å; 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 4.47Å; F85-F326 WeakPolarHBondContact O-CE2 3.17Å; F85-F326 WeakPolarHBondContact O-CZ 3.47Å; M88-F326 HydrophobicContact CB-CE1 3.54Å; M88-F326 HydrophobicContact CB-CZ 3.75Å; M88-F326 HydrophobicContact CG-CE1 4.16Å; F89-F326 HydrophobicContact CB-CE2 4.04Å; F89-F326 HydrophobicContact CB-CZ 3.92Å; F89-F326 HydrophobicContact CD2-CE2 4.38Å; F258-F326 HydrophobicContact CD2-CE2 4.38Å; F258-F326 HydrophobicContact CE2-CE2 4.22Å; I261-F326 HydrophobicContact CD1-CB 4.1Å; P322-F326 WeakPolarHBondContact O-CB 3.43Å; P322-F326 PolarHBondContact O-N 2.91Å; H323-F326 PolarHBondContact O-N 3.5Å; L324-F326 VanDerWaalsContact C-N 3.28Å; L324-F326 PolarHBondContact O-N 3.46Å; F326-H328 PolarHBondContact O-N 3.34Å; F326-I329 WeakPolarHBondContact O-CB 3.03Å; F326-I329 PolarHBondContact O-N 3.26Å; F326-I329 VanDerWaalsContact O-N 3.11Å; F326-C330 PolarHBondContact O-N 3.47Å
327L94.8Very high95.3Very high11 Ų1110.2 Ų10.26%0.0585%0.053CC..Hα-helixtrans-55.9-44.5172.6-177.680.9000110.6H323 L324 I329 C330 T331 Y390 I468 T469 I472H323-L327 WeakPolarHBondContact O-CB 3.43Å; H323-L327 PolarHBondContact O-N 3.36Å; L324-L327 HydrophobicContact CD2-CD2 4.38Å; L324-L327 PolarHBondContact O-N 3.4Å; L327-I329 VanDerWaalsContact C-N 3.34Å; L327-I329 PolarHBondContact O-N 2.99Å; L327-C330 PolarHBondContact O-N 3.15Å; L327-T331 WeakPolarHBondContact O-CG2 3.48Å; L327-T331 PolarHBondContact O-N 2.85Å; L327-T331 PolarHBondContact O-OG1 2.66Å; L327-Y390 VanDerWaalsContact CD2-O 3.26Å; L327-Y390 WeakPolarHBondContact CD2-O 3.46Å; L327-I468 HydrophobicContact CD1-CG2 3.56Å; L327-T469 HydrophobicContact CD1-CG2 3.82Å; L327-T469 HydrophobicContact CD2-CG2 3.76Å; L327-T469 HydrophobicContact CG-CG2 4.38Å; L327-I472 HydrophobicContact CD1-CD1 3.5Å
328H96.3Very high95.3Very high1 Ų19.6 Ų9.61%0.0055%0.049CC..Hα-helixtrans-65.2-36.5177.4-165.260.1000112.4Q309 M313 L324 A325 F326 C330 T331 H332 S391 I395Q309-H328 PolarHBondContact OE1-NE2 3.38Å; M313-H328 HydrophobicContact CE-CB 4.48Å; M313-H328 WeakPolarHBondContact CE-CD2 3.09Å; M313-H328 HydrophobicContact CG-CB 4.43Å; L324-H328 PolarHBondContact O-N 3.09Å; A325-H328 PolarHBondContact O-N 2.9Å; F326-H328 PolarHBondContact O-N 3.34Å; H328-C330 VanDerWaalsContact C-N 3.33Å; H328-C330 PolarHBondContact O-N 2.83Å; H328-T331 PolarHBondContact O-N 3.39Å; H328-T331 PolarHBondContact O-OG1 3.3Å; H328-H332 WeakPolarHBondContact O-CA 3.31Å; H328-H332 WeakPolarHBondContact O-CB 3.36Å; H328-H332 PolarHBondContact O-N 3.2Å; H328-S391 PolarHBondContact ND1-OG 3.44Å; H328-I395 HydrophobicContact CB-CD1 3.76Å
329I96.3Very high95.4Very high0 Ų09.2 Ų9.20%05%0.046CC..Hα-helixtrans-56.1-48.7171.5-73.7162.3000110.8F89 V254 I257 I261 M313 A325 F326 L327 H332 A333F89-I329 HydrophobicContact CD2-CG2 4.18Å; F89-I329 HydrophobicContact CE2-CG2 3.97Å; V254-I329 HydrophobicContact CB-CG2 4.44Å; V254-I329 HydrophobicContact CG1-CB 4.23Å; V254-I329 HydrophobicContact CG1-CD1 3.79Å; V254-I329 HydrophobicContact CG1-CG1 3.85Å; V254-I329 HydrophobicContact CG1-CG2 3.33Å; V254-I329 HydrophobicContact CG2-CG2 4.26Å; I257-I329 HydrophobicContact CB-CD1 4.38Å; I257-I329 HydrophobicContact CG2-CD1 3.9Å; I261-I329 HydrophobicContact CD1-CD1 3.56Å; M313-I329 HydrophobicContact CE-CG1 4Å; M313-I329 HydrophobicContact CG-CG1 4.48Å; M313-I329 HydrophobicContact SD-CD1 4.4Å; M313-I329 HydrophobicContact SD-CG1 3.47Å; M313-I329 WeakPolarHBondContact SD-CG1 3.18Å; A325-I329 WeakPolarHBondContact O-CG1 3.43Å; A325-I329 PolarHBondContact O-N 3.26Å; F326-I329 WeakPolarHBondContact O-CB 3.03Å; F326-I329 PolarHBondContact O-N 3.26Å; F326-I329 VanDerWaalsContact O-N 3.11Å; L327-I329 VanDerWaalsContact C-N 3.34Å; L327-I329 PolarHBondContact O-N 2.99Å; I329-H332 PolarHBondContact O-N 2.81Å; I329-A333 PolarHBondContact O-N 3.26Å; I329-A333 VanDerWaalsContact O-N 3.13Å
330C95.6Very high95.6Very high2 Ų28.4 Ų8.41%0.0144%0.042CC..Hα-helixtrans-63.2-45.4-179.5-69.20000112.1V92 F326 L327 H328 F334 I468V92-C330 HydrophobicContact CG2-CB 4.36Å; F326-C330 PolarHBondContact O-N 3.47Å; L327-C330 PolarHBondContact O-N 3.15Å; H328-C330 VanDerWaalsContact C-N 3.33Å; H328-C330 PolarHBondContact O-N 2.83Å; C330-F334 WeakPolarHBondContact O-CD2 3.47Å; C330-F334 WeakPolarHBondContact O-CE2 3.28Å; C330-I468 HydrophobicContact CB-CD1 4.29Å
331T95.4Very high95.7Very high0 Ų06.3 Ų6.30%03%0.03CC..Hα-helixtrans-70.1-38.5179.462.20000112L327 H328 A333 F334 F335 T387 S391L327-T331 WeakPolarHBondContact O-CG2 3.48Å; L327-T331 PolarHBondContact O-N 2.85Å; L327-T331 PolarHBondContact O-OG1 2.66Å; H328-T331 PolarHBondContact O-N 3.39Å; H328-T331 PolarHBondContact O-OG1 3.3Å; T331-A333 VanDerWaalsContact C-N 3.32Å; T331-A333 PolarHBondContact O-N 3.29Å; T331-F334 PolarHBondContact O-N 2.88Å; T331-F335 WeakPolarHBondContact O-CD1 3.46Å; T331-F335 VanDerWaalsContact O-CE1 3.29Å; T331-F335 WeakPolarHBondContact O-CE1 3.24Å; T331-T387 WeakPolarHBondContact CG2-O 3.36Å; T331-S391 PolarHBondContact OG1-OG 2.88Å
332H96.3Very high95.9Very high1 Ų14.2 Ų4.21%0.0052%0.021CC..Hα-helixtrans-58.4-40.3177.2175.9-92.1000113.3S249 M313 H328 I329 F334 F335 K336S249-H332 PolarHBondContact O-ND1 3.21Å; S249-H332 VanDerWaalsContact O-ND1 3.16Å; M313-H332 HydrophobicContact CE-CB 3.64Å; H328-H332 WeakPolarHBondContact O-CA 3.31Å; H328-H332 WeakPolarHBondContact O-CB 3.36Å; H328-H332 PolarHBondContact O-N 3.2Å; I329-H332 PolarHBondContact O-N 2.81Å; H332-F334 VanDerWaalsContact C-N 3.28Å; H332-F334 PolarHBondContact O-N 3.04Å; H332-F335 VanDerWaalsContact CA-CZ 3.41Å; H332-F335 HydrophobicContact CB-CE1 4.34Å; H332-F335 HydrophobicContact CB-CE2 4.46Å; H332-F335 HydrophobicContact CB-CZ 3.94Å; H332-F335 AromaticContact CD2-CE2 3.89Å; H332-K336 VanDerWaalsContact CD2-CE 3.5Å; H332-K336 WeakPolarHBondContact CD2-CE 3.36Å; H332-K336 VanDerWaalsContact CE1-CG 3.44Å; H332-K336 WeakPolarHBondContact CE1-CG 3.41Å; H332-K336 WeakPolarHBondContact NE2-CE 3.5Å; H332-K336 VanDerWaalsContact NE2-CG 3.25Å; H332-K336 WeakPolarHBondContact NE2-CG 3.28Å; H332-K336 WeakPolarHBondContact O-CB 3.35Å; H332-K336 WeakPolarHBondContact O-CG 3.28Å; H332-K336 PolarHBondContact O-N 2.6Å
333A96.3Very high96Very high1 Ų13.9 Ų3.91%0.0082%0.019CC..Hα-helixtrans-53.7-44.2178.900000112.3V92 V96 I329 T331 A337V92-A333 HydrophobicContact CG1-CB 3.7Å; V96-A333 HydrophobicContact CG2-CB 4.21Å; I329-A333 PolarHBondContact O-N 3.26Å; I329-A333 VanDerWaalsContact O-N 3.13Å; T331-A333 VanDerWaalsContact C-N 3.32Å; T331-A333 PolarHBondContact O-N 3.29Å; A333-A337 WeakPolarHBondContact O-CB 3.36Å; A333-A337 PolarHBondContact O-N 3.41Å; A333-A337 VanDerWaalsContact O-N 3.16Å
334F95.9Very high96.1Very high13 Ų131.7 Ų1.76%0.0571%0.008CC..Hα-helixtrans-66.7-57.8-177.8-66.1-82000112.6V92 F95 C330 T331 H332 K336 A337 M338 L457 A464 I468V92-F334 HydrophobicContact CG1-CE2 3.99Å; V92-F334 HydrophobicContact CG1-CZ 4.21Å; V92-F334 HydrophobicContact CG2-CE2 4.12Å; V92-F334 HydrophobicContact CG2-CZ 4.16Å; F95-F334 HydrophobicContact CD1-CD1 4.01Å; F95-F334 AromaticContact CD1-CE1 3.44Å; F95-F334 HydrophobicContact CD1-CE1 3.44Å; F95-F334 VanDerWaalsContact CD1-CE1 3.44Å; F95-F334 HydrophobicContact CD1-CZ 4.48Å; F95-F334 HydrophobicContact CE1-CD1 4.02Å; F95-F334 AromaticContact CE1-CE1 3.68Å; F95-F334 HydrophobicContact CE1-CE1 3.68Å; F95-F334 HydrophobicContact CG-CE1 4.32Å; C330-F334 WeakPolarHBondContact O-CD2 3.47Å; C330-F334 WeakPolarHBondContact O-CE2 3.28Å; T331-F334 PolarHBondContact O-N 2.88Å; H332-F334 VanDerWaalsContact C-N 3.28Å; H332-F334 PolarHBondContact O-N 3.04Å; F334-K336 PolarHBondContact O-N 3.37Å; F334-A337 PolarHBondContact O-N 3.3Å; F334-M338 WeakPolarHBondContact O-CB 3.29Å; F334-M338 PolarHBondContact O-N 3.46Å; F334-L457 HydrophobicContact CD1-CD2 4.06Å; F334-A464 HydrophobicContact CD2-CB 3.95Å; F334-A464 HydrophobicContact CE1-CB 4.2Å; F334-A464 HydrophobicContact CE2-CB 3.6Å; F334-A464 HydrophobicContact CG-CB 4.42Å; F334-A464 HydrophobicContact CZ-CB 3.73Å; F334-I468 HydrophobicContact CE2-CD1 4.36Å
335F95.4Very high96.2Very high1 Ų11.4 Ų1.40%0.0041%0.007CC..Hα-helixtrans-71.9-31-173.259.5-106000112.5T331 H332 M338 L339 A379 L380T331-F335 WeakPolarHBondContact O-CD1 3.46Å; T331-F335 VanDerWaalsContact O-CE1 3.29Å; T331-F335 WeakPolarHBondContact O-CE1 3.24Å; H332-F335 VanDerWaalsContact CA-CZ 3.41Å; H332-F335 HydrophobicContact CB-CE1 4.34Å; H332-F335 HydrophobicContact CB-CE2 4.46Å; H332-F335 HydrophobicContact CB-CZ 3.94Å; H332-F335 AromaticContact CD2-CE2 3.89Å; F335-M338 PolarHBondContact O-N 3.13Å; F335-L339 VanDerWaalsContact O-CG 3.28Å; F335-L339 WeakPolarHBondContact O-CG 3.18Å; F335-L339 PolarHBondContact O-N 3.09Å; F335-A379 HydrophobicContact CB-CB 3.99Å; F335-A379 HydrophobicContact CD1-CB 4.26Å; F335-A379 HydrophobicContact CG-CB 4.27Å; F335-L380 HydrophobicContact CD2-CB 4.13Å; F335-L380 HydrophobicContact CE2-CB 4.12Å; F335-L380 HydrophobicContact CE2-CG 4.32Å
336K96.7Very high96.3Very high0 Ų01.5 Ų1.50%01%0.007CC..Hα-helixtrans-71.4-43.4174.7-69.3-57.6-165-175.80113.1S305 T306 H332 F334 M338 L339 F340 L380S305-K336 VanDerWaalsContact CB-NZ 3.33Å; S305-K336 PolarHBondContact O-NZ 3.04Å; S305-K336 PolarHBondContact OG-NZ 3.11Å; T306-K336 HydrophobicContact CG2-CD 3.72Å; T306-K336 HydrophobicContact CG2-CG 3.97Å; H332-K336 VanDerWaalsContact CD2-CE 3.5Å; H332-K336 WeakPolarHBondContact CD2-CE 3.36Å; H332-K336 VanDerWaalsContact CE1-CG 3.44Å; H332-K336 WeakPolarHBondContact CE1-CG 3.41Å; H332-K336 WeakPolarHBondContact NE2-CE 3.5Å; H332-K336 VanDerWaalsContact NE2-CG 3.25Å; H332-K336 WeakPolarHBondContact NE2-CG 3.28Å; H332-K336 WeakPolarHBondContact O-CB 3.35Å; H332-K336 WeakPolarHBondContact O-CG 3.28Å; H332-K336 PolarHBondContact O-N 2.6Å; F334-K336 PolarHBondContact O-N 3.37Å; K336-M338 PolarHBondContact O-N 2.55Å; K336-L339 HydrophobicContact CD-CD1 4.33Å; K336-L339 PolarHBondContact O-N 3.11Å; K336-F340 WeakPolarHBondContact O-CD2 3.29Å; K336-F340 PolarHBondContact O-N 3.42Å; K336-L380 HydrophobicContact CD-CD1 4.4Å
337A96.3Very high96.3Very high0 Ų01.5 Ų1.50%01%0.007CC..Hα-helixtrans-59.1-40.8175.300000110.2V96 A333 F334 F340 M341 L457V96-A337 HydrophobicContact CG1-CB 3.63Å; A333-A337 WeakPolarHBondContact O-CB 3.36Å; A333-A337 PolarHBondContact O-N 3.41Å; A333-A337 VanDerWaalsContact O-N 3.16Å; F334-A337 PolarHBondContact O-N 3.3Å; A337-F340 PolarHBondContact O-N 2.86Å; A337-M341 WeakPolarHBondContact O-CG 3.37Å; A337-M341 PolarHBondContact O-N 3.48Å; A337-L457 HydrophobicContact CB-CD1 3.64Å; A337-L457 HydrophobicContact CB-CD2 4.45Å
338M96.4Very high96.3Very high0 Ų04 Ų40%02%0.019CC..Hα-helixtrans-60.3-48.3173.9-171172.758.800112.7F334 F335 K336 F340 M341 C342 S372 I375 L457 A458 S461F334-M338 WeakPolarHBondContact O-CB 3.29Å; F334-M338 PolarHBondContact O-N 3.46Å; F335-M338 PolarHBondContact O-N 3.13Å; K336-M338 PolarHBondContact O-N 2.55Å; M338-F340 VanDerWaalsContact C-N 3.34Å; M338-F340 PolarHBondContact O-N 2.96Å; M338-M341 PolarHBondContact O-N 2.96Å; M338-C342 WeakPolarHBondContact O-CB 3.4Å; M338-C342 PolarHBondContact O-N 2.88Å; M338-C342 PolarHBondContact O-SG 3.03Å; M338-S372 VanDerWaalsContact CE-O 3.23Å; M338-S372 WeakPolarHBondContact CE-O 3.5Å; M338-I375 HydrophobicContact CE-CB 4.39Å; M338-I375 HydrophobicContact CE-CG2 4.22Å; M338-L457 HydrophobicContact CB-CB 4.09Å; M338-L457 HydrophobicContact CG-CB 4.46Å; M338-A458 WeakPolarHBondContact SD-CA 3.35Å; M338-A458 HydrophobicContact SD-CB 3.77Å; M338-S461 WeakPolarHBondContact CE-OG 3.29Å
339L97.1Very high96.2Very high0 Ų04.3 Ų4.30%02%0.021CC..Hα-helixtrans-60.5-39.6178-72173.7000112.5V302 F335 K336 S343 L373 L380 M426V302-L339 HydrophobicContact CG1-CB 4.17Å; V302-L339 HydrophobicContact CG2-CB 4.46Å; F335-L339 VanDerWaalsContact O-CG 3.28Å; F335-L339 WeakPolarHBondContact O-CG 3.18Å; F335-L339 PolarHBondContact O-N 3.09Å; K336-L339 HydrophobicContact CD-CD1 4.33Å; K336-L339 PolarHBondContact O-N 3.11Å; L339-S343 WeakPolarHBondContact O-CB 3.28Å; L339-S343 PolarHBondContact O-N 3.24Å; L339-S343 PolarHBondContact O-OG 3.38Å; L339-L373 HydrophobicContact CD2-CD1 3.72Å; L339-L373 HydrophobicContact CD2-CG 4.42Å; L339-L380 HydrophobicContact CD1-CD1 3.62Å; L339-M426 HydrophobicContact CD2-CE 4.12Å
340F97.4Very high96.2Very high0 Ų04.4 Ų4.40%02%0.021CC..Hα-helixtrans-69.1-38.5176-82.9-68.4000112.9M237 A245 H248 V302 T306 K336 A337 M338 S343 G344M237-F340 HydrophobicContact CE-CE1 4.48Å; M237-F340 HydrophobicContact CE-CZ 4.35Å; M237-F340 HydrophobicContact SD-CE1 3.83Å; M237-F340 HydrophobicContact SD-CZ 4.24Å; A245-F340 HydrophobicContact CB-CB 3.54Å; A245-F340 HydrophobicContact CB-CG 4.33Å; H248-F340 HydrophobicContact CB-CE2 3.72Å; H248-F340 HydrophobicContact CB-CZ 3.99Å; V302-F340 HydrophobicContact CB-CD1 4.44Å; V302-F340 HydrophobicContact CB-CE1 3.97Å; V302-F340 HydrophobicContact CB-CE2 4.42Å; V302-F340 HydrophobicContact CB-CZ 3.96Å; V302-F340 HydrophobicContact CG1-CD1 4.11Å; V302-F340 HydrophobicContact CG1-CD2 3.76Å; V302-F340 HydrophobicContact CG1-CE1 3.82Å; V302-F340 HydrophobicContact CG1-CE2 3.45Å; V302-F340 VanDerWaalsContact CG1-CE2 3.45Å; V302-F340 HydrophobicContact CG1-CG 4.08Å; V302-F340 HydrophobicContact CG1-CZ 3.48Å; V302-F340 VanDerWaalsContact CG1-CZ 3.48Å; T306-F340 HydrophobicContact CG2-CE2 4.17Å; K336-F340 WeakPolarHBondContact O-CD2 3.29Å; K336-F340 PolarHBondContact O-N 3.42Å; A337-F340 PolarHBondContact O-N 2.86Å; M338-F340 VanDerWaalsContact C-N 3.34Å; M338-F340 PolarHBondContact O-N 2.96Å; F340-S343 WeakPolarHBondContact CA-OG 3.36Å; F340-S343 PolarHBondContact O-N 2.91Å; F340-S343 PolarHBondContact O-OG 3.37Å; F340-G344 PolarHBondContact O-N 3.33Å
341M96.1Very high96.1Very high0 Ų09.4 Ų9.40%05%0.048CC..Hα-helixtrans-69.7-39.2175.7-68-171.6-36.100112.3F103 A337 M338 G344 S345 P453 I454 L457F103-M341 HydrophobicContact CB-CG 4.46Å; F103-M341 HydrophobicContact CB-SD 3.92Å; F103-M341 HydrophobicContact CD1-CG 4.23Å; F103-M341 HydrophobicContact CD2-CB 4.32Å; F103-M341 HydrophobicContact CD2-CG 4.35Å; F103-M341 HydrophobicContact CE2-CB 4.37Å; F103-M341 HydrophobicContact CG-CG 4.09Å; F103-M341 HydrophobicContact CG-SD 4.17Å; A337-M341 WeakPolarHBondContact O-CG 3.37Å; A337-M341 PolarHBondContact O-N 3.48Å; M338-M341 PolarHBondContact O-N 2.96Å; M341-G344 PolarHBondContact O-N 3.42Å; M341-S345 PolarHBondContact O-N 2.95Å; M341-S345 PolarHBondContact O-OG 2.86Å; M341-P453 HydrophobicContact CE-CB 4.18Å; M341-P453 HydrophobicContact SD-CB 4.15Å; M341-I454 HydrophobicContact CB-CG1 4.39Å; M341-I454 HydrophobicContact CE-CG1 3.89Å; M341-L457 HydrophobicContact CE-CB 4.25Å; M341-L457 HydrophobicContact CE-CD1 3.15Å; M341-L457 HydrophobicContact CE-CG 4.06Å; M341-L457 HydrophobicContact SD-CD1 3.84Å
342C97.2Very high95.9Very high0 Ų014.5 Ų14.50%08%0.075CC..Hα-helixtrans-65.5-39.9175-620000111.4M338 S345 I346 S372 L373M338-C342 WeakPolarHBondContact O-CB 3.4Å; M338-C342 PolarHBondContact O-N 2.88Å; M338-C342 PolarHBondContact O-SG 3.03Å; C342-S345 WeakPolarHBondContact CA-OG 3.43Å; C342-S345 PolarHBondContact O-N 3.35Å; C342-S345 PolarHBondContact O-OG 3.18Å; C342-I346 WeakPolarHBondContact O-CD1 3.36Å; C342-I346 VanDerWaalsContact O-CG1 3.24Å; C342-I346 WeakPolarHBondContact O-CG1 3.48Å; C342-I346 PolarHBondContact O-N 3.42Å; C342-I346 VanDerWaalsContact O-N 3.14Å; C342-S372 PolarHBondContact SG-OG 3.38Å; C342-L373 HydrophobicContact CB-CB 4.2Å; C342-L373 HydrophobicContact CB-CD1 3.73Å
343S96.6Very high95.9Very high0 Ų017.1 Ų17.10%09%0.087CC..Hα-helixtrans-66.8-39.7172.757.60000111.3L339 F340 S345 I346 I347L339-S343 WeakPolarHBondContact O-CB 3.28Å; L339-S343 PolarHBondContact O-N 3.24Å; L339-S343 PolarHBondContact O-OG 3.38Å; F340-S343 WeakPolarHBondContact CA-OG 3.36Å; F340-S343 PolarHBondContact O-N 2.91Å; F340-S343 PolarHBondContact O-OG 3.37Å; S343-S345 PolarHBondContact O-N 3.07Å; S343-I346 PolarHBondContact O-N 3.16Å; S343-I347 WeakPolarHBondContact O-CB 3.22Å; S343-I347 WeakPolarHBondContact O-CD1 3.4Å; S343-I347 WeakPolarHBondContact O-CG1 3.06Å; S343-I347 PolarHBondContact O-N 2.96Å
344G96.3Very high95.8Very high0 Ų019.8 Ų19.80%010%0.099CC..Hα-helixtrans-61.3-38.6174.800000113.9F340 M341 I347 H348F340-G344 PolarHBondContact O-N 3.33Å; M341-G344 PolarHBondContact O-N 3.42Å; G344-I347 PolarHBondContact O-N 3.46Å; G344-H348 WeakPolarHBondContact O-CB 3.29Å; G344-H348 PolarHBondContact O-N 3.49Å
345S96.8Very high95.9Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-67.6-40.2175.264.90000112.4M341 C342 S343 N349 T369M341-S345 PolarHBondContact O-N 2.95Å; M341-S345 PolarHBondContact O-OG 2.86Å; C342-S345 WeakPolarHBondContact CA-OG 3.43Å; C342-S345 PolarHBondContact O-N 3.35Å; C342-S345 PolarHBondContact O-OG 3.18Å; S343-S345 PolarHBondContact O-N 3.07Å; S345-N349 VanDerWaalsContact O-CB 3.31Å; S345-N349 WeakPolarHBondContact O-CB 3.48Å; S345-N349 PolarHBondContact O-N 3.42Å; S345-T369 WeakPolarHBondContact OG-CG2 3.49Å
346I96.8Very high95.9Very high1 Ų120 Ų201%0.00510%0.101CC..Hα-helixtrans-63.6-47175.2-66.9166.2000110C342 S343 H348 N349 L350 M359 L362 L373C342-I346 WeakPolarHBondContact O-CD1 3.36Å; C342-I346 VanDerWaalsContact O-CG1 3.24Å; C342-I346 WeakPolarHBondContact O-CG1 3.48Å; C342-I346 PolarHBondContact O-N 3.42Å; C342-I346 VanDerWaalsContact O-N 3.14Å; S343-I346 PolarHBondContact O-N 3.16Å; I346-H348 PolarHBondContact O-N 3.43Å; I346-N349 PolarHBondContact O-N 2.73Å; I346-L350 HydrophobicContact CG2-CD1 3.74Å; I346-L350 HydrophobicContact CG2-CG 4.45Å; I346-L350 WeakPolarHBondContact O-CB 3.48Å; I346-L350 WeakPolarHBondContact O-CG 3.31Å; I346-L350 PolarHBondContact O-N 3.07Å; I346-M359 HydrophobicContact CG2-CE 3.89Å; I346-M359 HydrophobicContact CG2-SD 3.71Å; I346-L362 HydrophobicContact CD1-CD1 4.27Å; I346-L362 HydrophobicContact CG1-CD1 4.13Å; I346-L362 HydrophobicContact CG2-CD1 3.65Å; I346-L373 HydrophobicContact CD1-CD2 4.28Å
347I96.2Very high95.9Very high0 Ų026.9 Ų26.90%013%0.127CC..Hα-helixtrans-59.8-49.2-179.7-69162.4000110.9T241 I298 K299 S343 G344 L350 N351 N352 Q354T241-I347 HydrophobicContact CG2-CD1 4.03Å; I298-I347 HydrophobicContact CG2-CD1 3.88Å; I298-I347 HydrophobicContact CG2-CG1 4.17Å; K299-I347 HydrophobicContact CD-CD1 3.93Å; K299-I347 HydrophobicContact CG-CD1 3.84Å; S343-I347 WeakPolarHBondContact O-CB 3.22Å; S343-I347 WeakPolarHBondContact O-CD1 3.4Å; S343-I347 WeakPolarHBondContact O-CG1 3.06Å; S343-I347 PolarHBondContact O-N 2.96Å; G344-I347 PolarHBondContact O-N 3.46Å; I347-L350 CarbonylContact O-C 3.53Å; I347-L350 PolarHBondContact O-N 3.23Å; I347-N351 PolarHBondContact O-N 3.26Å; I347-N352 WeakPolarHBondContact O-CA 3.18Å; I347-N352 PolarHBondContact O-N 3.38Å; I347-Q354 HydrophobicContact CD1-CG 4.02Å; I347-Q354 HydrophobicContact CG1-CG 4.07Å; I347-Q354 HydrophobicContact CG2-CG 4.05Å
348H94.9Very high95.8Very high64 Ų6431.1 Ų31.130%0.29615%0.145SC..Hα-helixtrans-69.1-36.9-176.8-173.3-78.9000112.1W106 Y107 G344 I346 L350 N351W106-H348 HydrophobicContact CH2-CB 3.59Å; W106-H348 AromaticContact CH2-CG 3.7Å; W106-H348 AromaticContact CH2-ND1 3.58Å; W106-H348 HydrophobicContact CZ2-CB 4.39Å; W106-H348 AromaticContact CZ2-ND1 3.47Å; W106-H348 WeakPolarHBondContact CZ2-ND1 3.21Å; W106-H348 HydrophobicContact CZ3-CB 3.98Å; Y107-H348 HydrophobicContact CD2-CB 4.16Å; Y107-H348 HydrophobicContact CE2-CB 4.01Å; G344-H348 WeakPolarHBondContact O-CB 3.29Å; G344-H348 PolarHBondContact O-N 3.49Å; I346-H348 PolarHBondContact O-N 3.43Å; H348-L350 VanDerWaalsContact C-N 3.31Å; H348-L350 PolarHBondContact O-N 2.87Å; H348-N351 PolarHBondContact O-N 2.99Å
349N94.7Very high95.8Very high8 Ų831.1 Ų31.14%0.04315%0.145CC..Hα-helixtrans-73.8-20176.3-75.6-10.7000113.8S345 I346 M366 I443 N444S345-N349 VanDerWaalsContact O-CB 3.31Å; S345-N349 WeakPolarHBondContact O-CB 3.48Å; S345-N349 PolarHBondContact O-N 3.42Å; I346-N349 PolarHBondContact O-N 2.73Å; N349-M366 HydrophobicContact CB-CE 4.34Å; N349-M366 HydrophobicContact CB-SD 3.97Å; N349-M366 WeakPolarHBondContact ND2-CE 3.44Å; N349-M366 PolarHBondContact ND2-SD 3.48Å; N349-I443 HydrophobicContact CB-CG2 4.44Å; N349-N444 PolarHBondContact ND2-O 3.14Å; N349-N444 PolarHBondContact OD1-O 3.22Å
350L95Very high95.6Very high2 Ų231.1 Ų31.11%0.0115%0.145CC..THydrogen-bonded Turntrans-100.930.3173.9-63.3178.7000112.5I346 I347 H348 N352 E353 M359 L362 F437 T441 I443I346-L350 HydrophobicContact CG2-CD1 3.74Å; I346-L350 HydrophobicContact CG2-CG 4.45Å; I346-L350 WeakPolarHBondContact O-CB 3.48Å; I346-L350 WeakPolarHBondContact O-CG 3.31Å; I346-L350 PolarHBondContact O-N 3.07Å; I347-L350 CarbonylContact O-C 3.53Å; I347-L350 PolarHBondContact O-N 3.23Å; H348-L350 VanDerWaalsContact C-N 3.31Å; H348-L350 PolarHBondContact O-N 2.87Å; L350-N352 PolarHBondContact O-N 3.43Å; L350-E353 HydrophobicContact CB-CB 4.28Å; L350-E353 WeakPolarHBondContact O-CB 3.5Å; L350-E353 WeakPolarHBondContact O-CG 3.39Å; L350-E353 PolarHBondContact O-N 2.87Å; L350-M359 HydrophobicContact CD1-CB 4.5Å; L350-M359 HydrophobicContact CD1-CG 3.82Å; L350-L362 HydrophobicContact CD1-CD1 4.37Å; L350-F437 HydrophobicContact CD2-CB 3.81Å; L350-F437 HydrophobicContact CD2-CD1 4Å; L350-F437 HydrophobicContact CD2-CD2 4.22Å; L350-F437 HydrophobicContact CD2-CG 3.77Å; L350-T441 HydrophobicContact CD2-CG2 4.23Å; L350-I443 HydrophobicContact CD2-CD1 4.44Å
351N93.4Very high95.5Very high107 Ų10732 Ų3257%0.57216%0.155SC*.THydrogen-bonded Turntrans54.547176-61.6-25000114.2I347 H348 E353I347-N351 PolarHBondContact O-N 3.26Å; H348-N351 PolarHBondContact O-N 2.99Å; N351-E353 VanDerWaalsContact C-N 3.31Å; N351-E353 PolarHBondContact O-N 2.98Å
352N93.2Very high95.4Very high106 Ų10632.1 Ų32.157%0.56716%0.155SC*.THydrogen-bonded Turntrans69.115.2-179.7-58.7-47.6000116I347 L350 Q354I347-N352 WeakPolarHBondContact O-CA 3.18Å; I347-N352 PolarHBondContact O-N 3.38Å; L350-N352 PolarHBondContact O-N 3.43Å; N352-Q354 PolarHBondContact O-N 3.1Å
353E94.6Very high95.4Very high56 Ų5636.6 Ų36.626%0.26218%0.179SC..  trans-73.3120.9171.4-71.7-76.2-168.600111.2L350 N351 K358 M359L350-E353 HydrophobicContact CB-CB 4.28Å; L350-E353 WeakPolarHBondContact O-CB 3.5Å; L350-E353 WeakPolarHBondContact O-CG 3.39Å; L350-E353 PolarHBondContact O-N 2.87Å; N351-E353 VanDerWaalsContact C-N 3.31Å; N351-E353 PolarHBondContact O-N 2.98Å; E353-K358 IonicContact OE1-NZ 2.89Å; E353-K358 PolarHBondContact OE1-NZ 2.62Å; E353-K358 WeakPolarHBondContact OE2-CD 3.24Å; E353-K358 IonicContact OE2-NZ 2.52Å; E353-K358 PolarHBondContact OE2-NZ 3.41Å; E353-M359 WeakPolarHBondContact O-CE 3.27Å
354Q95.8Very high95.1Very high57 Ų5745.8 Ų45.827%0.26622%0.219SC..  trans-104.4-13.2-177.6-56.8-172.69.500113.9I298 I347 N352I298-Q354 PolarHBondContact N-O 3.43Å; I347-Q354 HydrophobicContact CD1-CG 4.02Å; I347-Q354 HydrophobicContact CG1-CG 4.07Å; I347-Q354 HydrophobicContact CG2-CG 4.05Å; N352-Q354 PolarHBondContact O-N 3.1Å
355D97Very high94.9Very high19 Ų1948.9 Ų48.910%0.10224%0.238CC..BIsolated β-bridgetrans-81.6119.6-174.6-173.2-15.6000111.3N296 R357 K358N296-D355 WeakPolarHBondContact CB-OD1 3.27Å; D355-R357 PolarHBondContact O-N 3.45Å; D355-R357 VanDerWaalsContact O-N 3.1Å; D355-R357 VanDerWaalsContact OD1-CB 3.27Å; D355-R357 WeakPolarHBondContact OD1-CB 3.37Å; D355-R357 VanDerWaalsContact OD1-CG 3.3Å; D355-R357 WeakPolarHBondContact OD1-CG 3.34Å; D355-R357 IonicContact OD1-CZ 3.74Å; D355-R357 PolarHBondContact OD1-N 3.45Å; D355-R357 IonicContact OD1-NE 3.91Å; D355-R357 PolarHBondContact OD1-NE 3.25Å; D355-R357 VanDerWaalsContact OD1-NE 3.08Å; D355-R357 IonicContact OD2-CZ 3.08Å; D355-R357 IonicContact OD2-NE 3Å; D355-R357 PolarHBondContact OD2-NE 2.93Å; D355-R357 IonicContact OD2-NH2 2.73Å; D355-R357 PolarHBondContact OD2-NH2 3.07Å; D355-K358 PolarHBondContact O-N 3.11Å; D355-K358 VanDerWaalsContact O-N 3.1Å
356I96.6Very high94.8Very high0 Ų048.9 Ų48.90%024%0.238CC..G310 helixtrans-60.5-21.6179.567.5-175000113.4N296 I298 I301 K358 M359 L429 T430N296-I356 HydrophobicContact CB-CG1 4.46Å; N296-I356 WeakPolarHBondContact O-CG1 3.19Å; N296-I356 WeakPolarHBondContact O-CG2 3.33Å; N296-I356 PolarHBondContact O-N 3Å; I298-I356 HydrophobicContact CB-CG2 3.93Å; I298-I356 HydrophobicContact CG1-CG2 4.3Å; I301-I356 HydrophobicContact CD1-CD1 3.78Å; I301-I356 HydrophobicContact CD1-CG2 4.28Å; I356-K358 VanDerWaalsContact C-N 3.26Å; I356-K358 PolarHBondContact O-N 3.01Å; I356-M359 HydrophobicContact CG2-SD 4.38Å; I356-M359 PolarHBondContact O-N 2.8Å; I356-L429 HydrophobicContact CB-CB 4.39Å; I356-L429 HydrophobicContact CD1-CB 4.43Å; I356-L429 HydrophobicContact CD1-CD1 3.56Å; I356-L429 HydrophobicContact CG1-CB 4.47Å; I356-L429 HydrophobicContact CG1-CD1 4.08Å; I356-T430 HydrophobicContact CB-CG2 4.05Å; I356-T430 HydrophobicContact CG2-CG2 3.66Å
357R95.2Very high94.7Very high145 Ų14552.4 Ų52.455%0.54726%0.261SS..G310 helixtrans-67.5-30.1178.6-63176.9-66.6-1790.3111.8D355 R436D355-R357 PolarHBondContact O-N 3.45Å; D355-R357 VanDerWaalsContact O-N 3.1Å; D355-R357 VanDerWaalsContact OD1-CB 3.27Å; D355-R357 WeakPolarHBondContact OD1-CB 3.37Å; D355-R357 VanDerWaalsContact OD1-CG 3.3Å; D355-R357 WeakPolarHBondContact OD1-CG 3.34Å; D355-R357 IonicContact OD1-CZ 3.74Å; D355-R357 PolarHBondContact OD1-N 3.45Å; D355-R357 IonicContact OD1-NE 3.91Å; D355-R357 PolarHBondContact OD1-NE 3.25Å; D355-R357 VanDerWaalsContact OD1-NE 3.08Å; D355-R357 IonicContact OD2-CZ 3.08Å; D355-R357 IonicContact OD2-NE 3Å; D355-R357 PolarHBondContact OD2-NE 2.93Å; D355-R357 IonicContact OD2-NH2 2.73Å; D355-R357 PolarHBondContact OD2-NH2 3.07Å; R357-R436 WeakPolarHBondContact O-CD 3.49Å; R357-R436 PolarHBondContact O-NE 3.37Å
358K94.9Very high94.7Very high88 Ų8854.4 Ų54.438%0.38327%0.271SS..G310 helixtrans-93.58.5177-61.5178.6-179.21750113.3E353 D355 I356 R436 F437E353-K358 IonicContact OE1-NZ 2.89Å; E353-K358 PolarHBondContact OE1-NZ 2.62Å; E353-K358 WeakPolarHBondContact OE2-CD 3.24Å; E353-K358 IonicContact OE2-NZ 2.52Å; E353-K358 PolarHBondContact OE2-NZ 3.41Å; D355-K358 PolarHBondContact O-N 3.11Å; D355-K358 VanDerWaalsContact O-N 3.1Å; I356-K358 VanDerWaalsContact C-N 3.26Å; I356-K358 PolarHBondContact O-N 3.01Å; K358-R436 CarbonylContact O-C 3.44Å; K358-R436 VanDerWaalsContact O-C 3.31Å; K358-F437 WeakPolarHBondContact O-CA 3.26Å; K358-F437 VanDerWaalsContact O-CB 3.27Å; K358-F437 WeakPolarHBondContact O-CB 3.4Å; K358-F437 PolarHBondContact O-N 3.07Å; K358-F437 VanDerWaalsContact O-N 3.08Å
359M95.4Very high94.8Very high0 Ų051.4 Ų51.40%026%0.257CS..  trans-97.6-167.8174.3-60.1-179-17600110.5I298 I346 L350 E353 I356 T430 R436I298-M359 HydrophobicContact CD1-SD 4.38Å; I298-M359 HydrophobicContact CG2-CE 4.26Å; I346-M359 HydrophobicContact CG2-CE 3.89Å; I346-M359 HydrophobicContact CG2-SD 3.71Å; L350-M359 HydrophobicContact CD1-CB 4.5Å; L350-M359 HydrophobicContact CD1-CG 3.82Å; E353-M359 WeakPolarHBondContact O-CE 3.27Å; I356-M359 HydrophobicContact CG2-SD 4.38Å; I356-M359 PolarHBondContact O-N 2.8Å; M359-T430 HydrophobicContact SD-CG2 3.69Å; M359-R436 WeakPolarHBondContact O-CB 3.36Å; M359-R436 PolarHBondContact O-N 2.64Å; M359-R436 PolarHBondContact O-NE 3.42Å; M359-R436 PolarHBondContact O-NH2 3.43Å
360G94.7Very high94.9Very high0 Ų051.1 Ų51.10%026%0.256CS..  trans128.4151.7174.700000112.8L362 T430 P435 F437G360-L362 PolarHBondContact O-N 2.85Å; G360-T430 VanDerWaalsContact CA-O 3.27Å; G360-T430 WeakPolarHBondContact CA-O 3.36Å; G360-T430 PolarHBondContact N-O 3.03Å; G360-P435 WeakPolarHBondContact O-CA 3.4Å; G360-F437 WeakPolarHBondContact O-CE1 3.42Å
361G93.8Very high95Very high20 Ų2054.2 Ų54.221%0.20628%0.275CS..  trans66.313.6177.300000115.5L363 L431 T432 G433G361-L363 VanDerWaalsContact C-N 3.25Å; G361-L363 PolarHBondContact O-N 3.28Å; G361-L431 CarbonylContact C-O 3.6Å; G361-L431 WeakPolarHBondContact CA-O 3.31Å; G361-L431 PolarHBondContact N-O 2.8Å; G361-T432 PolarHBondContact N-O 3.2Å; G361-T432 VanDerWaalsContact N-O 3.17Å; G361-G433 WeakPolarHBondContact CA-O 3.43Å; G361-G433 PolarHBondContact N-O 2.96Å
362L95.2Very high95.1Very high1 Ų149.1 Ų49.11%0.00525%0.248CC..Hα-helixtrans-72.6-14-174.5-64.5175.1000114.3I346 L350 G360 K364 T365 M366 T430 L431 F437 I443I346-L362 HydrophobicContact CD1-CD1 4.27Å; I346-L362 HydrophobicContact CG1-CD1 4.13Å; I346-L362 HydrophobicContact CG2-CD1 3.65Å; L350-L362 HydrophobicContact CD1-CD1 4.37Å; G360-L362 PolarHBondContact O-N 2.85Å; L362-K364 PolarHBondContact O-N 3.1Å; L362-T365 WeakPolarHBondContact CA-OG1 3.28Å; L362-T365 PolarHBondContact O-N 3.5Å; L362-T365 PolarHBondContact O-OG1 3.24Å; L362-M366 PolarHBondContact O-N 2.82Å; L362-T430 WeakPolarHBondContact CD1-O 3.42Å; L362-T430 WeakPolarHBondContact CG-O 3.37Å; L362-L431 HydrophobicContact CB-CD2 4.09Å; L362-L431 PolarHBondContact N-O 3.5Å; L362-L431 VanDerWaalsContact N-O 3.14Å; L362-F437 HydrophobicContact CD2-CE1 4.18Å; L362-I443 HydrophobicContact CD2-CD1 4.38Å
363L95.4Very high95.3Very high95 Ų9544.1 Ų44.150%0.49722%0.221SC..Hα-helixtrans-55.2-37.8179.5-17077.8000112.8G361 L431G361-L363 VanDerWaalsContact C-N 3.25Å; G361-L363 PolarHBondContact O-N 3.28Å; L363-L431 PolarHBondContact N-O 3.49Å
364K90.9Very high95.4Very high193 Ų19343.4 Ų43.484%0.83922%0.221SC*.Hα-helixtrans-88.4-31.6-179.5-67.2-175.5-179.9-179.10113L362L362-K364 PolarHBondContact O-N 3.1Å
365T92Very high95.5Very high64 Ų6442.6 Ų42.639%0.39322%0.218SC..Hα-helixtrans-84.4-33.5-174.359.10000112.7L362 I443L362-T365 WeakPolarHBondContact CA-OG1 3.28Å; L362-T365 PolarHBondContact O-N 3.5Å; L362-T365 PolarHBondContact O-OG1 3.24Å; T365-I443 HydrophobicContact CG2-CD1 4.36Å
366M95.1Very high95.5Very high1 Ų141.7 Ų41.71%0.00521%0.213CC..SBendtrans-129.474.3178.3-56.7-178.654.200110.7N349 L362 L368 T369 S370 I443 E445N349-M366 HydrophobicContact CB-CE 4.34Å; N349-M366 HydrophobicContact CB-SD 3.97Å; N349-M366 WeakPolarHBondContact ND2-CE 3.44Å; N349-M366 PolarHBondContact ND2-SD 3.48Å; L362-M366 PolarHBondContact O-N 2.82Å; M366-L368 PolarHBondContact O-N 3.21Å; M366-T369 WeakPolarHBondContact CB-OG1 3.2Å; M366-T369 HydrophobicContact CE-CG2 3.93Å; M366-T369 WeakPolarHBondContact CE-OG1 3.36Å; M366-T369 PolarHBondContact O-OG1 3.34Å; M366-S370 VanDerWaalsContact O-CB 3.27Å; M366-S370 WeakPolarHBondContact O-CB 3.49Å; M366-S370 PolarHBondContact O-N 2.91Å; M366-S370 PolarHBondContact O-OG 3.37Å; M366-I443 HydrophobicContact CG-CG2 3.35Å; M366-I443 HydrophobicContact SD-CG2 3.73Å; M366-E445 WeakPolarHBondContact CA-OE2 3.09Å; M366-E445 WeakPolarHBondContact CB-OE2 3.31Å; M366-E445 HydrophobicContact CE-CG 4.25Å
367P95.2Very high95.5Very high74 Ų7441.8 Ų41.848%0.48121%0.213SC..Hα-helixtrans-65.5-38-170.425.9-34.4000113.1S370 T371P367-S370 WeakPolarHBondContact CA-OG 3.17Å; P367-S370 PolarHBondContact O-OG 2.93Å; P367-T371 VanDerWaalsContact O-CG2 3.24Å; P367-T371 WeakPolarHBondContact O-CG2 3.31Å; P367-T371 PolarHBondContact O-N 3.5Å; P367-T371 PolarHBondContact O-OG1 2.99Å
368L96.4Very high95.5Very high42 Ų4238.1 Ų38.122%0.2220%0.204CC..Hα-helixtrans-70.3-51.3-177.8179.978.6000110.3M366 S370 T371 S372 E445 L451 I454 K455M366-L368 PolarHBondContact O-N 3.21Å; L368-S370 VanDerWaalsContact C-N 3.26Å; L368-S370 PolarHBondContact O-N 3.26Å; L368-T371 PolarHBondContact O-N 2.62Å; L368-T371 VanDerWaalsContact O-N 3.12Å; L368-T371 PolarHBondContact O-OG1 2.78Å; L368-S372 PolarHBondContact O-N 3.49Å; L368-S372 PolarHBondContact O-OG 2.96Å; L368-S372 VanDerWaalsContact O-OG 3.11Å; L368-E445 VanDerWaalsContact CB-OE1 3.3Å; L368-E445 WeakPolarHBondContact CB-OE1 3.34Å; L368-E445 PolarHBondContact N-OE2 2.91Å; L368-L451 HydrophobicContact CB-CD2 4.21Å; L368-L451 HydrophobicContact CD2-CB 4Å; L368-L451 HydrophobicContact CD2-CD2 3.3Å; L368-L451 HydrophobicContact CD2-CG 4.23Å; L368-L451 HydrophobicContact CG-CD2 4.35Å; L368-I454 HydrophobicContact CD2-CG2 4.34Å; L368-I454 HydrophobicContact CG-CG2 4.48Å; L368-K455 HydrophobicContact CD1-CG 4.19Å; L368-K455 HydrophobicContact CD2-CG 4.01Å
369T96.8Very high95.6Very high1 Ų133.9 Ų33.91%0.00619%0.186CC..Hα-helixtrans-60.7-36178.549.60000112.6S345 M366 S372 L373 E445 I454S345-T369 WeakPolarHBondContact OG-CG2 3.49Å; M366-T369 WeakPolarHBondContact CB-OG1 3.2Å; M366-T369 HydrophobicContact CE-CG2 3.93Å; M366-T369 WeakPolarHBondContact CE-OG1 3.36Å; M366-T369 PolarHBondContact O-OG1 3.34Å; T369-S372 VanDerWaalsContact CA-OG 3.29Å; T369-S372 WeakPolarHBondContact CA-OG 3.42Å; T369-S372 PolarHBondContact O-OG 2.98Å; T369-S372 VanDerWaalsContact O-OG 3.07Å; T369-L373 WeakPolarHBondContact O-CB 3.21Å; T369-L373 PolarHBondContact O-N 3.34Å; T369-E445 WeakPolarHBondContact CB-OE1 3.4Å; T369-E445 HydrophobicContact CG2-CG 4.28Å; T369-E445 WeakPolarHBondContact CG2-OE1 3.37Å; T369-E445 PolarHBondContact N-OE1 3.12Å; T369-E445 PolarHBondContact OG1-OE1 2.8Å; T369-I454 HydrophobicContact CG2-CD1 3.73Å
370S96.4Very high95.6Very high2 Ų234 Ų341%0.01419%0.187CC..Hα-helixtrans-65.7-44.217466.40000111.8M366 P367 L368 L373 T374M366-S370 VanDerWaalsContact O-CB 3.27Å; M366-S370 WeakPolarHBondContact O-CB 3.49Å; M366-S370 PolarHBondContact O-N 2.91Å; M366-S370 PolarHBondContact O-OG 3.37Å; P367-S370 WeakPolarHBondContact CA-OG 3.17Å; P367-S370 PolarHBondContact O-OG 2.93Å; L368-S370 VanDerWaalsContact C-N 3.26Å; L368-S370 PolarHBondContact O-N 3.26Å; S370-L373 PolarHBondContact O-N 3.06Å; S370-T374 WeakPolarHBondContact O-CG2 3.43Å; S370-T374 PolarHBondContact O-N 2.84Å; S370-T374 PolarHBondContact O-OG1 3.1Å
371T96.5Very high95.6Very high67 Ų6734.6 Ų34.641%0.41119%0.192SC..Hα-helixtrans-64.5-39.617560.10000113.1P367 L368 T374 I375P367-T371 VanDerWaalsContact O-CG2 3.24Å; P367-T371 WeakPolarHBondContact O-CG2 3.31Å; P367-T371 PolarHBondContact O-N 3.5Å; P367-T371 PolarHBondContact O-OG1 2.99Å; L368-T371 PolarHBondContact O-N 2.62Å; L368-T371 VanDerWaalsContact O-N 3.12Å; L368-T371 PolarHBondContact O-OG1 2.78Å; T371-T374 WeakPolarHBondContact CA-OG1 3.36Å; T371-T374 PolarHBondContact O-N 3.13Å; T371-T374 PolarHBondContact O-OG1 3.42Å; T371-I375 WeakPolarHBondContact O-CD1 3.4Å; T371-I375 WeakPolarHBondContact O-CG1 3.33Å; T371-I375 PolarHBondContact O-N 3.3Å
372S96.9Very high95.5Very high1 Ų134.4 Ų34.41%0.00719%0.189CC..Hα-helixtrans-72.7-34.2177.354.80000112.4M338 C342 L368 T369 I375 G376 I454M338-S372 VanDerWaalsContact CE-O 3.23Å; M338-S372 WeakPolarHBondContact CE-O 3.5Å; C342-S372 PolarHBondContact SG-OG 3.38Å; L368-S372 PolarHBondContact O-N 3.49Å; L368-S372 PolarHBondContact O-OG 2.96Å; L368-S372 VanDerWaalsContact O-OG 3.11Å; T369-S372 VanDerWaalsContact CA-OG 3.29Å; T369-S372 WeakPolarHBondContact CA-OG 3.42Å; T369-S372 PolarHBondContact O-OG 2.98Å; T369-S372 VanDerWaalsContact O-OG 3.07Å; S372-I375 PolarHBondContact O-N 2.95Å; S372-G376 PolarHBondContact O-N 3.45Å; S372-I454 VanDerWaalsContact CB-CG2 3.46Å; S372-I454 WeakPolarHBondContact OG-CG2 3.2Å
373L97.2Very high95.5Very high1 Ų138.9 Ų38.91%0.00521%0.211CC..Hα-helixtrans-64.9-40.4173.6-16978.5000111.1L339 C342 I346 T369 S370 G376 S377 M426 L431L339-L373 HydrophobicContact CD2-CD1 3.72Å; L339-L373 HydrophobicContact CD2-CG 4.42Å; C342-L373 HydrophobicContact CB-CB 4.2Å; C342-L373 HydrophobicContact CB-CD1 3.73Å; I346-L373 HydrophobicContact CD1-CD2 4.28Å; T369-L373 WeakPolarHBondContact O-CB 3.21Å; T369-L373 PolarHBondContact O-N 3.34Å; S370-L373 PolarHBondContact O-N 3.06Å; L373-G376 PolarHBondContact O-N 2.97Å; L373-S377 WeakPolarHBondContact O-CB 3.33Å; L373-S377 PolarHBondContact O-N 3.15Å; L373-S377 PolarHBondContact O-OG 3.29Å; L373-M426 HydrophobicContact CD1-CE 4.49Å; L373-M426 HydrophobicContact CD1-SD 3.89Å; L373-M426 HydrophobicContact CD2-SD 3.8Å; L373-M426 HydrophobicContact CG-SD 3.95Å; L373-L431 HydrophobicContact CB-CD1 4.42Å; L373-L431 HydrophobicContact CD2-CD1 3.92Å; L373-L431 HydrophobicContact CD2-CD2 3.9Å; L373-L431 HydrophobicContact CD2-CG 3.9Å
374T97.1Very high95.4Very high40 Ų4036.2 Ų36.225%0.24520%0.199CC..Hα-helixtrans-68.2-43175.255.40000112.1S370 T371 G376 S377 L378 I427 L431S370-T374 WeakPolarHBondContact O-CG2 3.43Å; S370-T374 PolarHBondContact O-N 2.84Å; S370-T374 PolarHBondContact O-OG1 3.1Å; T371-T374 WeakPolarHBondContact CA-OG1 3.36Å; T371-T374 PolarHBondContact O-N 3.13Å; T371-T374 PolarHBondContact O-OG1 3.42Å; T374-G376 VanDerWaalsContact C-N 3.33Å; T374-G376 PolarHBondContact O-N 3.49Å; T374-S377 VanDerWaalsContact CA-OG 3.3Å; T374-S377 WeakPolarHBondContact CA-OG 3.32Å; T374-S377 PolarHBondContact O-N 3.2Å; T374-S377 PolarHBondContact O-OG 3.38Å; T374-L378 WeakPolarHBondContact O-CB 3.49Å; T374-L378 VanDerWaalsContact O-CG 3.29Å; T374-L378 WeakPolarHBondContact O-CG 3.36Å; T374-L378 PolarHBondContact O-N 3.2Å; T374-I427 HydrophobicContact CG2-CG2 4.27Å; T374-L431 HydrophobicContact CG2-CD1 3.67Å
375I97.4Very high95.5Very high41 Ų4134.4 Ų34.421%0.2119%0.192CC..Hα-helixtrans-59.4-45.3174.1-66.6163.2000110.6M338 T371 S372 S377 L378 A379 S461 L462M338-I375 HydrophobicContact CE-CB 4.39Å; M338-I375 HydrophobicContact CE-CG2 4.22Å; T371-I375 WeakPolarHBondContact O-CD1 3.4Å; T371-I375 WeakPolarHBondContact O-CG1 3.33Å; T371-I375 PolarHBondContact O-N 3.3Å; S372-I375 PolarHBondContact O-N 2.95Å; I375-S377 PolarHBondContact O-N 3.48Å; I375-L378 PolarHBondContact O-N 3.34Å; I375-A379 WeakPolarHBondContact O-CB 3.27Å; I375-A379 PolarHBondContact O-N 3.33Å; I375-S461 WeakPolarHBondContact CG2-OG 3.34Å; I375-L462 HydrophobicContact CG2-CD2 3.85Å; I375-L462 HydrophobicContact CG2-CG 4.31Å
376G96.3Very high95.7Very high0 Ų032.5 Ų32.50%018%0.179CC..Hα-helixtrans-66.6-38.1-178.900000114S372 L373 T374 L380S372-G376 PolarHBondContact O-N 3.45Å; L373-G376 PolarHBondContact O-N 2.97Å; T374-G376 VanDerWaalsContact C-N 3.33Å; T374-G376 PolarHBondContact O-N 3.49Å; G376-L380 WeakPolarHBondContact O-CB 3.44Å; G376-L380 PolarHBondContact O-N 2.72Å
377S96.3Very high95.6Very high1 Ų132.4 Ų32.41%0.00718%0.179CC..Hα-helixtrans-71.9-38.3176.847.50000112.1L373 T374 I375 L380 A381 I427L373-S377 WeakPolarHBondContact O-CB 3.33Å; L373-S377 PolarHBondContact O-N 3.15Å; L373-S377 PolarHBondContact O-OG 3.29Å; T374-S377 VanDerWaalsContact CA-OG 3.3Å; T374-S377 WeakPolarHBondContact CA-OG 3.32Å; T374-S377 PolarHBondContact O-N 3.2Å; T374-S377 PolarHBondContact O-OG 3.38Å; I375-S377 PolarHBondContact O-N 3.48Å; S377-L380 PolarHBondContact O-N 3.46Å; S377-A381 WeakPolarHBondContact O-CB 3.27Å; S377-A381 PolarHBondContact O-N 2.79Å; S377-I427 WeakPolarHBondContact OG-CD1 3.29Å; S377-I427 WeakPolarHBondContact OG-CG1 3.45Å
378L96.1Very high95.5Very high68 Ų6829 Ų2936%0.35616%0.156SC..Hα-helixtrans-65.5-40.5171.8-71.6171.3000112.1T374 I375 A381 G382 M383 L386T374-L378 WeakPolarHBondContact O-CB 3.49Å; T374-L378 VanDerWaalsContact O-CG 3.29Å; T374-L378 WeakPolarHBondContact O-CG 3.36Å; T374-L378 PolarHBondContact O-N 3.2Å; I375-L378 PolarHBondContact O-N 3.34Å; L378-A381 PolarHBondContact O-N 2.96Å; L378-G382 PolarHBondContact O-N 3.45Å; L378-M383 HydrophobicContact CB-CB 4.11Å; L378-M383 PolarHBondContact O-N 3.34Å; L378-L386 HydrophobicContact CB-CD1 3.66Å
379A96.2Very high95.4Very high0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-62.6-42.1174.200000111.3F335 I375 G382 L386 G388F335-A379 HydrophobicContact CB-CB 3.99Å; F335-A379 HydrophobicContact CD1-CB 4.26Å; F335-A379 HydrophobicContact CG-CB 4.27Å; I375-A379 WeakPolarHBondContact O-CB 3.27Å; I375-A379 PolarHBondContact O-N 3.33Å; A379-G382 PolarHBondContact O-N 3.08Å; A379-L386 HydrophobicContact CB-CB 4.23Å; A379-L386 HydrophobicContact CB-CD1 4.17Å; A379-G388 WeakPolarHBondContact O-CA 3.43Å
380L95.4Very high95.2Very high3 Ų330.6 Ų30.62%0.01616%0.161CC..Hα-helixtrans-63.6-41.3174.6-176.2166.2000112.1F335 K336 L339 G376 S377 G382 K392 Y422F335-L380 HydrophobicContact CD2-CB 4.13Å; F335-L380 HydrophobicContact CE2-CB 4.12Å; F335-L380 HydrophobicContact CE2-CG 4.32Å; K336-L380 HydrophobicContact CD-CD1 4.4Å; L339-L380 HydrophobicContact CD1-CD1 3.62Å; G376-L380 WeakPolarHBondContact O-CB 3.44Å; G376-L380 PolarHBondContact O-N 2.72Å; S377-L380 PolarHBondContact O-N 3.46Å; L380-G382 VanDerWaalsContact C-N 3.26Å; L380-G382 PolarHBondContact O-N 3.46Å; L380-K392 PolarHBondContact O-NZ 3.49Å; L380-Y422 HydrophobicContact CD2-CE2 4.03Å
381A94.3Very high95.1Very high12 Ų1230.5 Ų30.510%0.09916%0.161CC..Hα-helixtrans-62.9-34.8176.800000111.6S377 L378 K392 T494S377-A381 WeakPolarHBondContact O-CB 3.27Å; S377-A381 PolarHBondContact O-N 2.79Å; L378-A381 PolarHBondContact O-N 2.96Å; A381-K392 PolarHBondContact O-NZ 3.06Å; A381-T494 WeakPolarHBondContact O-CG2 3.08Å
382G92.9Very high95Very high15 Ų1527.6 Ų27.616%0.15514%0.142CC..THydrogen-bonded Turntrans103.132.6-179.100000113.1L378 A379 L380L378-G382 PolarHBondContact O-N 3.45Å; A379-G382 PolarHBondContact O-N 3.08Å; L380-G382 VanDerWaalsContact C-N 3.26Å; L380-G382 PolarHBondContact O-N 3.46Å
383M94.1Very high94.9Very high96 Ų9628.1 Ų28.147%0.47315%0.145SC..  trans-56.3135.6176-17572.7-166.200110.7L378 L386 F389L378-M383 HydrophobicContact CB-CB 4.11Å; L378-M383 PolarHBondContact O-N 3.34Å; M383-L386 HydrophobicContact CB-CD1 3.92Å; M383-L386 HydrophobicContact CB-CG 4.3Å; M383-L386 HydrophobicContact CG-CD1 4.37Å; M383-L386 WeakPolarHBondContact O-CB 3.35Å; M383-L386 PolarHBondContact O-N 3.19Å; M383-F389 WeakPolarHBondContact O-CB 3.44Å
384P94.1Very high94.7Very high38 Ų3830.7 Ų30.725%0.24716%0.157CC..THydrogen-bonded Turntrans-53.1144.7-179.221.2-35.2000112.5L386 F389 L491P384-L386 PolarHBondContact O-N 2.82Å; P384-L386 VanDerWaalsContact O-N 3.1Å; P384-F389 HydrophobicContact CB-CD2 4.3Å; P384-F389 HydrophobicContact CB-CE2 4.41Å; P384-L491 HydrophobicContact CG-CD1 4.25Å
385F93.1Very high94.6Very high156 Ų15629 Ų2968%0.68415%0.146SC*.THydrogen-bonded Turntrans67.2-11.5-177.5-49.8-71.1000117Y390F385-Y390 WeakPolarHBondContact O-CE2 3.37Å
386L95.6Very high94.5Very high23 Ų2327.4 Ų27.412%0.1214%0.138CC..SBendtrans-77.3163.4168.1-63.4-172.3000111.1L378 A379 M383 P384 G388 F389 Y390 L462L378-L386 HydrophobicContact CB-CD1 3.66Å; A379-L386 HydrophobicContact CB-CB 4.23Å; A379-L386 HydrophobicContact CB-CD1 4.17Å; M383-L386 HydrophobicContact CB-CD1 3.92Å; M383-L386 HydrophobicContact CB-CG 4.3Å; M383-L386 HydrophobicContact CG-CD1 4.37Å; M383-L386 WeakPolarHBondContact O-CB 3.35Å; M383-L386 PolarHBondContact O-N 3.19Å; P384-L386 PolarHBondContact O-N 2.82Å; P384-L386 VanDerWaalsContact O-N 3.1Å; L386-G388 PolarHBondContact O-N 2.92Å; L386-G388 VanDerWaalsContact O-N 3.1Å; L386-F389 WeakPolarHBondContact O-CB 3.23Å; L386-F389 PolarHBondContact O-N 3.26Å; L386-Y390 WeakPolarHBondContact O-CD2 3.38Å; L386-L462 HydrophobicContact CD2-CD2 3.35Å
387T93.5Very high94.4Very high0 Ų028.2 Ų28.20%014%0.142CC..THydrogen-bonded Turntrans-61-27.9-173.558.20000114.8T331 F389 G460 S461 A464T331-T387 WeakPolarHBondContact CG2-O 3.36Å; T387-F389 VanDerWaalsContact C-N 3.34Å; T387-G460 VanDerWaalsContact CG2-O 3.28Å; T387-G460 WeakPolarHBondContact CG2-O 3.36Å; T387-S461 VanDerWaalsContact CG2-C 3.44Å; T387-S461 VanDerWaalsContact CG2-O 3.28Å; T387-S461 WeakPolarHBondContact CG2-O 3.01Å; T387-S461 PolarHBondContact N-O 3.28Å; T387-S461 PolarHBondContact OG1-O 2.8Å; T387-A464 HydrophobicContact CG2-CB 4.46Å
388G92.3Very high94.2Very high1 Ų129.2 Ų29.21%0.0115%0.148CC..THydrogen-bonded Turntrans-66.9-33.4176.300000113.4A379 L386 S391 K392A379-G388 WeakPolarHBondContact O-CA 3.43Å; L386-G388 PolarHBondContact O-N 2.92Å; L386-G388 VanDerWaalsContact O-N 3.1Å; G388-S391 PolarHBondContact O-N 2.99Å; G388-S391 PolarHBondContact O-OG 2.7Å; G388-K392 WeakPolarHBondContact O-CB 3.32Å; G388-K392 PolarHBondContact O-N 3.1Å
389F94.9Very high94Very high44 Ų4426.2 Ų26.219%0.19313%0.133CC..Hα-helixtrans-60.4-49.8-179173.5-101.4000111.7M383 P384 L386 T387 S391 D393M383-F389 WeakPolarHBondContact O-CB 3.44Å; P384-F389 HydrophobicContact CB-CD2 4.3Å; P384-F389 HydrophobicContact CB-CE2 4.41Å; L386-F389 WeakPolarHBondContact O-CB 3.23Å; L386-F389 PolarHBondContact O-N 3.26Å; T387-F389 VanDerWaalsContact C-N 3.34Å; F389-S391 PolarHBondContact O-N 3.04Å; F389-D393 HydrophobicContact CD2-CB 3.8Å; F389-D393 HydrophobicContact CE2-CB 3.79Å; F389-D393 VanDerWaalsContact CE2-CG 3.41Å; F389-D393 WeakPolarHBondContact CE2-OD2 3.36Å; F389-D393 HydrophobicContact CG-CB 4.41Å; F389-D393 HydrophobicContact CZ-CB 4.39Å; F389-D393 WeakPolarHBondContact CZ-OD2 3.06Å; F389-D393 WeakPolarHBondContact O-CB 3.47Å; F389-D393 PolarHBondContact O-N 3.27Å; F389-D393 VanDerWaalsContact O-N 3.08Å
390Y93.9Very high93.8Very high34 Ų3427.5 Ų27.513%0.13314%0.14CC..Hα-helixtrans-56.9-15.4-179.2-68.8-74.2000115.5L327 F385 L386 H394 F466 T469L327-Y390 VanDerWaalsContact CD2-O 3.26Å; L327-Y390 WeakPolarHBondContact CD2-O 3.46Å; F385-Y390 WeakPolarHBondContact O-CE2 3.37Å; L386-Y390 WeakPolarHBondContact O-CD2 3.38Å; Y390-H394 PolarHBondContact O-CD2 3.34Å; Y390-H394 VanDerWaalsContact O-CD2 3.29Å; Y390-F466 HydrophobicContact CE1-CB 4.38Å; Y390-F466 HydrophobicContact CE1-CD2 4.04Å; Y390-F466 HydrophobicContact CE2-CB 3.74Å; Y390-F466 AromaticContact CZ-CD2 3.73Å; Y390-F466 WeakPolarHBondContact OH-CD2 3.41Å; Y390-T469 HydrophobicContact CD1-CG2 4.16Å; Y390-T469 HydrophobicContact CG-CG2 4.22Å
391S93.8Very high93.6Very high0 Ų030.6 Ų30.60%016%0.155CC..Hα-helixtrans-115.5-56.9177.551.20000110.9H328 T331 G388 F389 D393 H394 I395H328-S391 PolarHBondContact ND1-OG 3.44Å; T331-S391 PolarHBondContact OG1-OG 2.88Å; G388-S391 PolarHBondContact O-N 2.99Å; G388-S391 PolarHBondContact O-OG 2.7Å; F389-S391 PolarHBondContact O-N 3.04Å; S391-D393 PolarHBondContact O-N 3.02Å; S391-H394 PolarHBondContact O-N 3.39Å; S391-I395 WeakPolarHBondContact O-CB 3.32Å; S391-I395 WeakPolarHBondContact O-CD1 3.36Å; S391-I395 WeakPolarHBondContact O-CG1 3.43Å; S391-I395 PolarHBondContact O-N 3.06Å
392K94.8Very high93.4Very high5 Ų531.9 Ų31.92%0.02216%0.163CC..Hα-helixtrans-63.5-36.2-173.8-165.5-178.5-179.6-170.90113.3L312 L380 A381 G388 I395 I396 T419L312-K392 HydrophobicContact CD1-CG 4.38Å; L380-K392 PolarHBondContact O-NZ 3.49Å; A381-K392 PolarHBondContact O-NZ 3.06Å; G388-K392 WeakPolarHBondContact O-CB 3.32Å; G388-K392 PolarHBondContact O-N 3.1Å; K392-I395 PolarHBondContact O-N 3.39Å; K392-I396 HydrophobicContact CG-CD1 4.31Å; K392-I396 WeakPolarHBondContact O-CG1 3.42Å; K392-I396 PolarHBondContact O-N 3.03Å; K392-I396 VanDerWaalsContact O-N 3.15Å; K392-T419 PolarHBondContact NZ-OG1 3Å
393D94.3Very high93.2Very high13 Ų1342.8 Ų42.87%0.0720%0.202CC..Hα-helixtrans-65.4-51.2178-162.152.9000110.3F389 S391 I395 I396 E397 K487 A490F389-D393 HydrophobicContact CD2-CB 3.8Å; F389-D393 HydrophobicContact CE2-CB 3.79Å; F389-D393 VanDerWaalsContact CE2-CG 3.41Å; F389-D393 WeakPolarHBondContact CE2-OD2 3.36Å; F389-D393 HydrophobicContact CG-CB 4.41Å; F389-D393 HydrophobicContact CZ-CB 4.39Å; F389-D393 WeakPolarHBondContact CZ-OD2 3.06Å; F389-D393 WeakPolarHBondContact O-CB 3.47Å; F389-D393 PolarHBondContact O-N 3.27Å; F389-D393 VanDerWaalsContact O-N 3.08Å; S391-D393 PolarHBondContact O-N 3.02Å; D393-I395 VanDerWaalsContact C-N 3.29Å; D393-I395 PolarHBondContact O-N 3.33Å; D393-I396 PolarHBondContact O-N 3.08Å; D393-I396 VanDerWaalsContact O-N 3.09Å; D393-E397 VanDerWaalsContact CG-OE1 3.28Å; D393-E397 WeakPolarHBondContact O-CG 3.49Å; D393-E397 PolarHBondContact O-N 3.05Å; D393-K487 IonicContact OD2-NZ 3.23Å; D393-K487 PolarHBondContact OD2-NZ 3.13Å; D393-A490 WeakPolarHBondContact OD1-CB 3.42Å
394H92.6Very high93Very high54 Ų5439.9 Ų39.925%0.2519%0.189CC..Hα-helixtrans-61.9-33.6176.1-70.6-41.9000113.6L324 Y390 S391 E397 T398L324-H394 HydrophobicContact CD2-CB 4.07Å; Y390-H394 PolarHBondContact O-CD2 3.34Å; Y390-H394 VanDerWaalsContact O-CD2 3.29Å; S391-H394 PolarHBondContact O-N 3.39Å; H394-E397 IonicContact CE1-OE2 2.77Å; H394-E397 IonicContact ND1-OE2 3.58Å; H394-E397 PolarHBondContact ND1-OE2 3.21Å; H394-E397 PolarHBondContact O-N 3.41Å; H394-T398 WeakPolarHBondContact O-CB 3.31Å; H394-T398 WeakPolarHBondContact O-CG2 3.46Å; H394-T398 PolarHBondContact O-N 3.4Å; H394-T398 PolarHBondContact O-OG1 2.96Å
395I95.1Very high93Very high4 Ų441.7 Ų41.72%0.02120%0.197CC..Hα-helixtrans-62.3-45.3173.7-73.1168000111.1L312 T316 L324 H328 S391 K392 D393 T398 A399L312-I395 HydrophobicContact CD1-CG2 4.47Å; L312-I395 HydrophobicContact CD2-CD1 3.68Å; L312-I395 HydrophobicContact CD2-CG2 3.87Å; L312-I395 HydrophobicContact CG-CG2 4.08Å; T316-I395 HydrophobicContact CG2-CB 3.8Å; T316-I395 HydrophobicContact CG2-CD1 3.65Å; T316-I395 HydrophobicContact CG2-CG1 3.39Å; T316-I395 HydrophobicContact CG2-CG2 3.17Å; L324-I395 HydrophobicContact CB-CG1 4.31Å; H328-I395 HydrophobicContact CB-CD1 3.76Å; S391-I395 WeakPolarHBondContact O-CB 3.32Å; S391-I395 WeakPolarHBondContact O-CD1 3.36Å; S391-I395 WeakPolarHBondContact O-CG1 3.43Å; S391-I395 PolarHBondContact O-N 3.06Å; K392-I395 PolarHBondContact O-N 3.39Å; D393-I395 VanDerWaalsContact C-N 3.29Å; D393-I395 PolarHBondContact O-N 3.33Å; I395-T398 PolarHBondContact O-OG1 3.06Å; I395-T398 VanDerWaalsContact O-OG1 3.04Å; I395-A399 VanDerWaalsContact O-CB 3.29Å; I395-A399 WeakPolarHBondContact O-CB 3.19Å; I395-A399 PolarHBondContact O-N 3.28Å
396I94.8Very high93Very high9 Ų937.8 Ų37.85%0.04619%0.193CC..Hα-helixtrans-70.5-38.7-180-66.6164.4000110.5K392 D393 A399 N400 L413 T416 A490K392-I396 HydrophobicContact CG-CD1 4.31Å; K392-I396 WeakPolarHBondContact O-CG1 3.42Å; K392-I396 PolarHBondContact O-N 3.03Å; K392-I396 VanDerWaalsContact O-N 3.15Å; D393-I396 PolarHBondContact O-N 3.08Å; D393-I396 VanDerWaalsContact O-N 3.09Å; I396-A399 PolarHBondContact O-N 3.43Å; I396-N400 WeakPolarHBondContact O-CB 3.22Å; I396-N400 PolarHBondContact O-N 3.11Å; I396-N400 PolarHBondContact O-ND2 2.68Å; I396-L413 HydrophobicContact CG2-CD2 3.79Å; I396-T416 HydrophobicContact CD1-CG2 3.77Å; I396-T416 HydrophobicContact CG1-CG2 4.45Å; I396-A490 HydrophobicContact CB-CB 4.14Å; I396-A490 HydrophobicContact CD1-CB 3.55Å; I396-A490 HydrophobicContact CG1-CB 4.45Å; I396-A490 HydrophobicContact CG2-CB 4.05Å
397E93.8Very high93.1Very high17 Ų1742.5 Ų42.58%0.07921%0.209CC..Hα-helixtrans-60.1-50.1174.6-78.6160-153.700112.7D393 H394 A399 N400 M401 I482 K487D393-E397 VanDerWaalsContact CG-OE1 3.28Å; D393-E397 WeakPolarHBondContact O-CG 3.49Å; D393-E397 PolarHBondContact O-N 3.05Å; H394-E397 IonicContact CE1-OE2 2.77Å; H394-E397 IonicContact ND1-OE2 3.58Å; H394-E397 PolarHBondContact ND1-OE2 3.21Å; H394-E397 PolarHBondContact O-N 3.41Å; E397-A399 VanDerWaalsContact C-N 3.32Å; E397-A399 PolarHBondContact O-N 2.92Å; E397-N400 PolarHBondContact O-N 2.96Å; E397-M401 WeakPolarHBondContact O-CG 3.44Å; E397-M401 PolarHBondContact O-N 2.98Å; E397-M401 VanDerWaalsContact O-N 3.08Å; E397-I482 HydrophobicContact CG-CD1 4.12Å; E397-K487 HydrophobicContact CG-CD 4.27Å; E397-K487 WeakPolarHBondContact OE1-CD 3.36Å; E397-K487 WeakPolarHBondContact OE1-CE 3.29Å; E397-K487 IonicContact OE1-NZ 2.65Å; E397-K487 PolarHBondContact OE1-NZ 3Å; E397-K487 IonicContact OE2-NZ 2.81Å; E397-K487 PolarHBondContact OE2-NZ 3.19Å
398T92.2Very high93.2Very high22 Ų2242.5 Ų42.514%0.13521%0.21CC..Hα-helixtrans-65-37.7178.9500000111.3L324 H394 I395 M401 S402L324-T398 HydrophobicContact CD1-CG2 3.78Å; H394-T398 WeakPolarHBondContact O-CB 3.31Å; H394-T398 WeakPolarHBondContact O-CG2 3.46Å; H394-T398 PolarHBondContact O-N 3.4Å; H394-T398 PolarHBondContact O-OG1 2.96Å; I395-T398 PolarHBondContact O-OG1 3.06Å; I395-T398 VanDerWaalsContact O-OG1 3.04Å; T398-M401 PolarHBondContact O-N 3.39Å; T398-S402 VanDerWaalsContact O-CB 3.28Å; T398-S402 WeakPolarHBondContact O-CB 3.47Å; T398-S402 PolarHBondContact O-N 2.88Å; T398-S402 PolarHBondContact O-OG 2.9Å
399A92.6Very high93.4Very high5 Ų544.1 Ų44.14%0.04122%0.218CC..Hα-helixtrans-63.5-42.4173.900000112.5I319 I395 I396 E397 M401 S402 T404 L409I319-A399 HydrophobicContact CD1-CB 4.23Å; I395-A399 VanDerWaalsContact O-CB 3.29Å; I395-A399 WeakPolarHBondContact O-CB 3.19Å; I395-A399 PolarHBondContact O-N 3.28Å; I396-A399 PolarHBondContact O-N 3.43Å; E397-A399 VanDerWaalsContact C-N 3.32Å; E397-A399 PolarHBondContact O-N 2.92Å; A399-M401 VanDerWaalsContact C-N 3.33Å; A399-M401 PolarHBondContact O-N 3.39Å; A399-S402 PolarHBondContact O-OG 2.79Å; A399-T404 PolarHBondContact O-OG1 2.95Å; A399-L409 VanDerWaalsContact O-CD1 3.31Å; A399-L409 WeakPolarHBondContact O-CD1 3.44Å
400N92.9Very high93.4Very high27 Ų2744.4 Ų44.414%0.14423%0.226CC..Hα-helixtrans-66.4-30.8178.9-74.9-20000114I396 E397 L409 L486 T489I396-N400 WeakPolarHBondContact O-CB 3.22Å; I396-N400 PolarHBondContact O-N 3.11Å; I396-N400 PolarHBondContact O-ND2 2.68Å; E397-N400 PolarHBondContact O-N 2.96Å; N400-L409 WeakPolarHBondContact OD1-CD1 3.2Å; N400-L486 HydrophobicContact CB-CD2 4.28Å; N400-T489 PolarHBondContact ND2-OG1 3.3Å
401M91Very high93.5Very high67 Ų6743.4 Ų43.433%0.3322%0.222SC..Hα-helixtrans-96.4-17-175.8-66.4-60.2-63.400114E397 T398 A399 I482 L486E397-M401 WeakPolarHBondContact O-CG 3.44Å; E397-M401 PolarHBondContact O-N 2.98Å; E397-M401 VanDerWaalsContact O-N 3.08Å; T398-M401 PolarHBondContact O-N 3.39Å; A399-M401 VanDerWaalsContact C-N 3.33Å; A399-M401 PolarHBondContact O-N 3.39Å; M401-I482 HydrophobicContact CE-CG2 3.99Å; M401-I482 HydrophobicContact CG-CG2 3.53Å; M401-I482 HydrophobicContact SD-CB 4.44Å; M401-I482 HydrophobicContact SD-CG2 3.64Å; M401-L486 HydrophobicContact SD-CD1 3.59Å; M401-L486 VanDerWaalsContact SD-CD1 3.59Å
402S88.8Confident93.7Very high39 Ų3944 Ų4427%0.27323%0.226SC..SBendtrans-84.2158.6179.747.90000112T398 A399 T404T398-S402 VanDerWaalsContact O-CB 3.28Å; T398-S402 WeakPolarHBondContact O-CB 3.47Å; T398-S402 PolarHBondContact O-N 2.88Å; T398-S402 PolarHBondContact O-OG 2.9Å; A399-S402 PolarHBondContact O-OG 2.79Å; S402-T404 PolarHBondContact O-N 3.45Å; S402-T404 WeakPolarHBondContact OG-CG2 3.4Å
403Y89.3Confident93.8Very high245 Ų24545.3 Ų45.396%0.96123%0.233SC*.SBendtrans-72.277.9174-173.5-100.8000110
404T89.6Confident93.9Very high35 Ų3548.8 Ų48.822%0.21525%0.251CS..  trans-107.6159.2-175.258.50000111.7I319 A399 S402 A406I319-T404 HydrophobicContact CB-CG2 4.39Å; 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 3.45Å; S402-T404 WeakPolarHBondContact OG-CG2 3.4Å; T404-A406 PolarHBondContact O-N 3.3Å; T404-A406 VanDerWaalsContact O-N 3.11Å
405N93.9Very high94.1Very high75 Ų7546.3 Ų46.340%0.40124%0.24SC..  trans-64.2114.6169.7-175.8-7.8000109.3L278 W407 A408 L409L278-N405 HydrophobicContact CD2-CB 3.94Å; N405-W407 PolarHBondContact O-N 3.39Å; N405-W407 VanDerWaalsContact O-N 3.12Å; N405-W407 WeakPolarHBondContact OD1-CB 3.39Å; N405-W407 PolarHBondContact OD1-N 3.37Å; N405-W407 VanDerWaalsContact OD1-N 3.1Å; N405-A408 HydrophobicContact CB-CB 4.18Å; N405-A408 WeakPolarHBondContact O-CB 3.25Å; N405-A408 PolarHBondContact O-N 3.42Å; N405-L409 PolarHBondContact O-N 3.35Å
406A94.2Very high94.2Very high74 Ų7446.3 Ų46.361%0.61224%0.239SC*.Hα-helixtrans-54.2-33.4-179.900000112.8T404 S410T404-A406 PolarHBondContact O-N 3.3Å; T404-A406 VanDerWaalsContact O-N 3.11Å; A406-S410 WeakPolarHBondContact O-CB 3.35Å; A406-S410 PolarHBondContact O-N 3.48Å; A406-S410 PolarHBondContact O-OG 3.3Å
407W96.3Very high94.3Very high122 Ų12246.6 Ų46.646%0.46224%0.243SC..Hα-helixtrans-64.4-49.2176177.481.1000111.8I283 N405 L409 S410 I411I283-W407 HydrophobicContact CD1-CH2 3.8Å; I283-W407 HydrophobicContact CD1-CZ3 4.29Å; I283-W407 HydrophobicContact CG1-CH2 3.43Å; I283-W407 VanDerWaalsContact CG1-CH2 3.43Å; I283-W407 HydrophobicContact CG1-CZ2 4.46Å; I283-W407 HydrophobicContact CG1-CZ3 3.98Å; N405-W407 PolarHBondContact O-N 3.39Å; N405-W407 VanDerWaalsContact O-N 3.12Å; N405-W407 WeakPolarHBondContact OD1-CB 3.39Å; N405-W407 PolarHBondContact OD1-N 3.37Å; N405-W407 VanDerWaalsContact OD1-N 3.1Å; W407-L409 VanDerWaalsContact C-N 3.31Å; W407-L409 PolarHBondContact O-N 3.22Å; W407-S410 PolarHBondContact O-N 3.27Å; W407-S410 PolarHBondContact O-OG 3.24Å; W407-I411 HydrophobicContact CD2-CD1 3.63Å; W407-I411 HydrophobicContact CE3-CD1 4.03Å; W407-I411 HydrophobicContact CG-CD1 4.31Å; W407-I411 HydrophobicContact CH2-CD1 3.68Å; W407-I411 HydrophobicContact CZ2-CD1 3.18Å; W407-I411 HydrophobicContact CZ3-CD1 4.05Å; W407-I411 WeakPolarHBondContact O-CG1 3.38Å; W407-I411 PolarHBondContact O-N 3.04Å
408A96.1Very high94.4Very high1 Ų147.2 Ų47.21%0.00825%0.246CC..Hα-helixtrans-60.3-43.6178.400000110.9L278 A282 N405 I411 T412L278-A408 HydrophobicContact CD2-CB 3.74Å; L278-A408 HydrophobicContact CG-CB 3.87Å; A282-A408 HydrophobicContact CB-CB 3.79Å; N405-A408 HydrophobicContact CB-CB 4.18Å; N405-A408 WeakPolarHBondContact O-CB 3.25Å; N405-A408 PolarHBondContact O-N 3.42Å; A408-I411 PolarHBondContact O-N 3.18Å; A408-T412 VanDerWaalsContact O-CG2 3.22Å; A408-T412 WeakPolarHBondContact O-CG2 3.33Å; A408-T412 PolarHBondContact O-N 3.45Å; A408-T412 PolarHBondContact O-OG1 2.73Å
409L95.8Very high94.7Very high35 Ų3546.3 Ų46.318%0.18324%0.241CC..Hα-helixtrans-59.5-49.9175.7-178.6142.7000112.2A399 N400 N405 W407 I411 T412 L413A399-L409 VanDerWaalsContact O-CD1 3.31Å; A399-L409 WeakPolarHBondContact O-CD1 3.44Å; N400-L409 WeakPolarHBondContact OD1-CD1 3.2Å; N405-L409 PolarHBondContact O-N 3.35Å; W407-L409 VanDerWaalsContact C-N 3.31Å; W407-L409 PolarHBondContact O-N 3.22Å; L409-I411 VanDerWaalsContact C-N 3.26Å; L409-I411 PolarHBondContact O-N 3.07Å; L409-T412 WeakPolarHBondContact CA-OG1 3.4Å; L409-T412 PolarHBondContact O-N 3.18Å; L409-T412 VanDerWaalsContact O-N 3.1Å; L409-T412 PolarHBondContact O-OG1 3.39Å; L409-L413 HydrophobicContact CD2-CD1 3.72Å; L409-L413 HydrophobicContact CD2-CG 4.4Å; L409-L413 PolarHBondContact O-N 3.21Å
410S95.9Very high94.8Very high50 Ų5046.2 Ų46.235%0.3524%0.239SC..Hα-helixtrans-58.5-40179.771.40000112.3A406 W407 L413 I414A406-S410 WeakPolarHBondContact O-CB 3.35Å; A406-S410 PolarHBondContact O-N 3.48Å; A406-S410 PolarHBondContact O-OG 3.3Å; W407-S410 PolarHBondContact O-N 3.27Å; W407-S410 PolarHBondContact O-OG 3.24Å; S410-L413 PolarHBondContact O-N 2.94Å; S410-I414 VanDerWaalsContact O-CG1 3.32Å; S410-I414 WeakPolarHBondContact O-CG1 3.45Å; S410-I414 PolarHBondContact O-N 3.48Å
411I96.4Very high95Very high13 Ų1345.3 Ų45.37%0.06724%0.236CC..Hα-helixtrans-66.2-43.1177.1-73.5-178.2000111.3A282 L286 W407 A408 L409 L413 I414 A415A282-I411 HydrophobicContact CB-CG2 4.28Å; A282-I411 WeakPolarHBondContact O-CG2 3.28Å; L286-I411 HydrophobicContact CB-CG2 3.52Å; L286-I411 HydrophobicContact CD1-CG2 4.37Å; L286-I411 HydrophobicContact CD2-CD1 4.46Å; L286-I411 HydrophobicContact CD2-CG1 4.45Å; L286-I411 HydrophobicContact CD2-CG2 3.9Å; L286-I411 HydrophobicContact CG-CG2 4.12Å; W407-I411 HydrophobicContact CD2-CD1 3.63Å; W407-I411 HydrophobicContact CE3-CD1 4.03Å; W407-I411 HydrophobicContact CG-CD1 4.31Å; W407-I411 HydrophobicContact CH2-CD1 3.68Å; W407-I411 HydrophobicContact CZ2-CD1 3.18Å; W407-I411 HydrophobicContact CZ3-CD1 4.05Å; W407-I411 WeakPolarHBondContact O-CG1 3.38Å; W407-I411 PolarHBondContact O-N 3.04Å; A408-I411 PolarHBondContact O-N 3.18Å; L409-I411 VanDerWaalsContact C-N 3.26Å; L409-I411 PolarHBondContact O-N 3.07Å; I411-L413 VanDerWaalsContact C-N 3.33Å; I411-L413 PolarHBondContact O-N 3.26Å; I411-I414 PolarHBondContact O-N 3.16Å; I411-A415 WeakPolarHBondContact O-CB 3.36Å; I411-A415 PolarHBondContact O-N 2.98Å
412T97.1Very high95.3Very high11 Ų1142.3 Ų42.37%0.06722%0.221CC..Hα-helixtrans-64.3-39178.660.10000111.8A282 V315 A408 L409 A415 T416A282-T412 HydrophobicContact CB-CG2 4.06Å; V315-T412 HydrophobicContact CB-CG2 4.41Å; V315-T412 HydrophobicContact CG1-CG2 3.99Å; V315-T412 HydrophobicContact CG2-CG2 3.74Å; A408-T412 VanDerWaalsContact O-CG2 3.22Å; A408-T412 WeakPolarHBondContact O-CG2 3.33Å; A408-T412 PolarHBondContact O-N 3.45Å; A408-T412 PolarHBondContact O-OG1 2.73Å; L409-T412 WeakPolarHBondContact CA-OG1 3.4Å; L409-T412 PolarHBondContact O-N 3.18Å; L409-T412 VanDerWaalsContact O-N 3.1Å; L409-T412 PolarHBondContact O-OG1 3.39Å; T412-A415 PolarHBondContact O-N 3.2Å; T412-T416 VanDerWaalsContact O-CG2 3.22Å; T412-T416 WeakPolarHBondContact O-CG2 3.27Å; T412-T416 PolarHBondContact O-N 3.07Å
413L96.7Very high95.6Very high33 Ų3340.6 Ų40.617%0.17321%0.209CC..Hα-helixtrans-62.5-46.6173.3-67.1176.3000111I396 L409 S410 I411 A415 T416 S417 V493I396-L413 HydrophobicContact CG2-CD2 3.79Å; L409-L413 HydrophobicContact CD2-CD1 3.72Å; L409-L413 HydrophobicContact CD2-CG 4.4Å; L409-L413 PolarHBondContact O-N 3.21Å; S410-L413 PolarHBondContact O-N 2.94Å; I411-L413 VanDerWaalsContact C-N 3.33Å; I411-L413 PolarHBondContact O-N 3.26Å; L413-A415 VanDerWaalsContact C-N 3.31Å; L413-A415 PolarHBondContact O-N 2.98Å; L413-T416 PolarHBondContact O-N 3.48Å; L413-T416 VanDerWaalsContact O-N 3.09Å; L413-T416 PolarHBondContact O-OG1 3.5Å; L413-S417 PolarHBondContact O-N 2.9Å; L413-S417 VanDerWaalsContact O-N 3.12Å; L413-V493 WeakPolarHBondContact O-CG1 3.39Å
414I97.5Very high95.9Very high87 Ų8729.5 Ų29.545%0.44617%0.166SC..Hα-helixtrans-59.5-43.2174.5-64.8163.4000110.8L286 S410 I411 T416 S417 L418L286-I414 HydrophobicContact CD1-CB 4.31Å; L286-I414 HydrophobicContact CD1-CG2 3.77Å; S410-I414 VanDerWaalsContact O-CG1 3.32Å; S410-I414 WeakPolarHBondContact O-CG1 3.45Å; S410-I414 PolarHBondContact O-N 3.48Å; I411-I414 PolarHBondContact O-N 3.16Å; I414-T416 VanDerWaalsContact C-N 3.27Å; I414-T416 PolarHBondContact O-N 3.43Å; I414-S417 PolarHBondContact O-N 3.22Å; I414-S417 PolarHBondContact O-OG 2.94Å; I414-L418 HydrophobicContact CG2-CD1 4.38Å; I414-L418 HydrophobicContact CG2-CG 4.45Å; I414-L418 WeakPolarHBondContact O-CG 3.44Å; I414-L418 PolarHBondContact O-N 3.15Å
415A96.9Very high96.1Very high2 Ų230.9 Ų30.92%0.01717%0.168CC..Hα-helixtrans-60.8-38176.600000111.7T285 I411 T412 L413 L418 T419T285-A415 WeakPolarHBondContact OG1-CB 3.21Å; I411-A415 WeakPolarHBondContact O-CB 3.36Å; I411-A415 PolarHBondContact O-N 2.98Å; T412-A415 PolarHBondContact O-N 3.2Å; L413-A415 VanDerWaalsContact C-N 3.31Å; L413-A415 PolarHBondContact O-N 2.98Å; A415-L418 PolarHBondContact O-N 3.13Å; A415-T419 WeakPolarHBondContact O-CG2 3.43Å; A415-T419 PolarHBondContact O-N 3.38Å
416T96.3Very high96.2Very high3 Ų327.6 Ų27.62%0.01815%0.15CC..Hα-helixtrans-66-37.3177.165.30000113L312 I396 T412 L413 I414 T419 S420 V493L312-T416 HydrophobicContact CD1-CG2 4.25Å; I396-T416 HydrophobicContact CD1-CG2 3.77Å; I396-T416 HydrophobicContact CG1-CG2 4.45Å; T412-T416 VanDerWaalsContact O-CG2 3.22Å; T412-T416 WeakPolarHBondContact O-CG2 3.27Å; T412-T416 PolarHBondContact O-N 3.07Å; L413-T416 PolarHBondContact O-N 3.48Å; L413-T416 VanDerWaalsContact O-N 3.09Å; L413-T416 PolarHBondContact O-OG1 3.5Å; I414-T416 VanDerWaalsContact C-N 3.27Å; I414-T416 PolarHBondContact O-N 3.43Å; T416-T419 PolarHBondContact O-N 3.12Å; T416-T419 PolarHBondContact O-OG1 2.81Å; T416-S420 PolarHBondContact O-N 3.44Å; T416-V493 VanDerWaalsContact OG1-CG1 3.25Å; T416-V493 WeakPolarHBondContact OG1-CG1 3.37Å
417S97.2Very high96.3Very high16 Ų1625.5 Ų25.511%0.11213%0.128CC..Hα-helixtrans-68.2-38.717261.80000111.6L413 I414 T419 S420 A421 V493 G497L413-S417 PolarHBondContact O-N 2.9Å; L413-S417 VanDerWaalsContact O-N 3.12Å; I414-S417 PolarHBondContact O-N 3.22Å; I414-S417 PolarHBondContact O-OG 2.94Å; S417-T419 PolarHBondContact O-N 3.3Å; S417-S420 PolarHBondContact O-N 2.94Å; S417-S420 PolarHBondContact O-OG 2.87Å; S417-A421 PolarHBondContact O-N 3.44Å; S417-V493 VanDerWaalsContact CB-O 3.32Å; S417-V493 WeakPolarHBondContact CB-O 3.22Å; S417-G497 WeakPolarHBondContact O-CA 3.4Å
418L96.8Very high96.2Very high30 Ų3021 Ų2116%0.15711%0.113CC..Hα-helixtrans-63.1-30.8174.1-65.2-175.1000111.7L286 A289 V290 L293 I414 A415 A421 Y422L286-L418 HydrophobicContact CD1-CD1 4.33Å; A289-L418 HydrophobicContact CB-CB 3.74Å; A289-L418 HydrophobicContact CB-CD1 4.03Å; V290-L418 HydrophobicContact CG2-CD1 3.71Å; L293-L418 HydrophobicContact CD1-CD1 4.33Å; L293-L418 HydrophobicContact CD1-CD2 3.76Å; L293-L418 HydrophobicContact CD2-CD2 4.41Å; I414-L418 HydrophobicContact CG2-CD1 4.38Å; I414-L418 HydrophobicContact CG2-CG 4.45Å; I414-L418 WeakPolarHBondContact O-CG 3.44Å; I414-L418 PolarHBondContact O-N 3.15Å; A415-L418 PolarHBondContact O-N 3.13Å; L418-A421 PolarHBondContact O-N 3.47Å; L418-Y422 WeakPolarHBondContact O-CD1 3.31Å; L418-Y422 PolarHBondContact O-N 3Å
419T96.7Very high96.1Very high3 Ų322.7 Ų22.72%0.01812%0.122CC..Hα-helixtrans-62-42.7175.370.60000113.7K392 A415 T416 S417 Y422 S423K392-T419 PolarHBondContact NZ-OG1 3Å; A415-T419 WeakPolarHBondContact O-CG2 3.43Å; A415-T419 PolarHBondContact O-N 3.38Å; T416-T419 PolarHBondContact O-N 3.12Å; T416-T419 PolarHBondContact O-OG1 2.81Å; S417-T419 PolarHBondContact O-N 3.3Å; T419-Y422 VanDerWaalsContact CA-CZ 3.47Å; T419-Y422 WeakPolarHBondContact CB-OH 2.86Å; T419-Y422 HydrophobicContact CG2-CE1 3.97Å; T419-Y422 WeakPolarHBondContact CG2-OH 3.41Å; T419-S423 VanDerWaalsContact O-CB 3.29Å; T419-S423 WeakPolarHBondContact O-CB 3.32Å; T419-S423 PolarHBondContact O-N 3.39Å; T419-S423 PolarHBondContact O-OG 3.32Å
420S96.1Very high96.1Very high2 Ų221 Ų211%0.01411%0.113CC..Hα-helixtrans-68.5-39.9172.958.80000110.4T416 S417 S423 T424 T494 G497 L498T416-S420 PolarHBondContact O-N 3.44Å; S417-S420 PolarHBondContact O-N 2.94Å; S417-S420 PolarHBondContact O-OG 2.87Å; S420-S423 WeakPolarHBondContact CA-OG 3.25Å; S420-S423 PolarHBondContact O-N 2.83Å; S420-S423 PolarHBondContact O-OG 3.37Å; S420-T424 WeakPolarHBondContact O-CG2 3.44Å; S420-T424 PolarHBondContact O-N 3.45Å; S420-T424 PolarHBondContact O-OG1 2.59Å; S420-T424 VanDerWaalsContact O-OG1 3.06Å; S420-T494 VanDerWaalsContact CB-O 3.3Å; S420-T494 WeakPolarHBondContact CB-O 3.42Å; S420-T494 PolarHBondContact OG-O 2.68Å; S420-G497 VanDerWaalsContact OG-CA 3.24Å; S420-G497 WeakPolarHBondContact OG-CA 3.35Å; S420-L498 PolarHBondContact OG-N 3.22Å
421A96.7Very high96.1Very high8 Ų818.8 Ų18.87%0.06610%0.097CC..Hα-helixtrans-61.8-46.3-178.400000114.9L293 S417 L418 S423 T424 R425 A501L293-A421 HydrophobicContact CD2-CB 3.99Å; S417-A421 PolarHBondContact O-N 3.44Å; L418-A421 PolarHBondContact O-N 3.47Å; A421-S423 VanDerWaalsContact C-N 3.33Å; A421-T424 PolarHBondContact O-OG1 2.78Å; A421-R425 WeakPolarHBondContact O-CB 3.26Å; A421-R425 PolarHBondContact O-N 3.38Å; A421-R425 VanDerWaalsContact O-N 3.09Å; A421-A501 HydrophobicContact CB-CB 3.98Å
422Y96.1Very high95.9Very high4 Ų420.7 Ų20.72%0.01611%0.11CC..Hα-helixtrans-72.9-28.7176.463.8-116.8000112.1A289 A292 S305 L380 L418 T419 M426A289-Y422 HydrophobicContact CB-CE1 4.11Å; A292-Y422 HydrophobicContact CB-CD1 3.66Å; A292-Y422 HydrophobicContact CB-CE1 4.12Å; A292-Y422 HydrophobicContact CB-CG 3.9Å; S305-Y422 VanDerWaalsContact CB-CE2 3.44Å; S305-Y422 WeakPolarHBondContact CB-OH 3.17Å; L380-Y422 HydrophobicContact CD2-CE2 4.03Å; L418-Y422 WeakPolarHBondContact O-CD1 3.31Å; L418-Y422 PolarHBondContact O-N 3Å; T419-Y422 VanDerWaalsContact CA-CZ 3.47Å; T419-Y422 WeakPolarHBondContact CB-OH 2.86Å; T419-Y422 HydrophobicContact CG2-CE1 3.97Å; T419-Y422 WeakPolarHBondContact CG2-OH 3.41Å; Y422-M426 WeakPolarHBondContact O-CB 3.32Å; Y422-M426 PolarHBondContact O-N 3.34Å
423S95.6Very high95.6Very high3 Ų322.8 Ų22.82%0.02113%0.133CC..Hα-helixtrans-68.5-43178.375.50000111.4T419 S420 A421 M426 I427T419-S423 VanDerWaalsContact O-CB 3.29Å; T419-S423 WeakPolarHBondContact O-CB 3.32Å; T419-S423 PolarHBondContact O-N 3.39Å; T419-S423 PolarHBondContact O-OG 3.32Å; S420-S423 WeakPolarHBondContact CA-OG 3.25Å; S420-S423 PolarHBondContact O-N 2.83Å; S420-S423 PolarHBondContact O-OG 3.37Å; A421-S423 VanDerWaalsContact C-N 3.33Å; S423-M426 PolarHBondContact O-N 3.39Å; S423-I427 WeakPolarHBondContact O-CG1 3.47Å; S423-I427 PolarHBondContact O-N 3.41Å
424T95.3Very high95.3Very high12 Ų1228.4 Ų28.47%0.07416%0.159CC..Hα-helixtrans-69.4-40.3176.654.70000110.9S420 A421 M426 I427 L428 L498 A501S420-T424 WeakPolarHBondContact O-CG2 3.44Å; S420-T424 PolarHBondContact O-N 3.45Å; S420-T424 PolarHBondContact O-OG1 2.59Å; S420-T424 VanDerWaalsContact O-OG1 3.06Å; A421-T424 PolarHBondContact O-OG1 2.78Å; T424-M426 VanDerWaalsContact C-N 3.3Å; T424-M426 PolarHBondContact O-N 2.96Å; T424-I427 PolarHBondContact O-N 2.88Å; T424-L428 WeakPolarHBondContact O-CB 3.44Å; T424-L428 WeakPolarHBondContact O-CD1 3.48Å; T424-L428 WeakPolarHBondContact O-CG 3.46Å; T424-L428 PolarHBondContact O-N 3.43Å; T424-L498 HydrophobicContact CG2-CB 4.17Å; T424-L498 HydrophobicContact CG2-CD1 3.89Å; T424-L498 HydrophobicContact CG2-CG 3.8Å; T424-A501 WeakPolarHBondContact OG1-CB 3.45Å
425R95.4Very high95.2Very high65 Ų6527.7 Ų27.725%0.24516%0.159CC..Hα-helixtrans-53.2-47.9170.5172-178161.9129.1-4.4111.6L293 T294 Q295 N296 A421 L428 L429L293-R425 WeakPolarHBondContact O-CD 3.28Å; L293-R425 PolarHBondContact O-NE 2.89Å; L293-R425 VanDerWaalsContact O-NE 3.07Å; L293-R425 PolarHBondContact O-NH1 2.96Å; T294-R425 PolarHBondContact O-NH2 2.93Å; Q295-R425 PolarHBondContact O-NH2 2.98Å; N296-R425 PolarHBondContact OD1-NH2 3.02Å; N296-R425 VanDerWaalsContact OD1-NH2 3.11Å; A421-R425 WeakPolarHBondContact O-CB 3.26Å; A421-R425 PolarHBondContact O-N 3.38Å; A421-R425 VanDerWaalsContact O-N 3.09Å; R425-L428 PolarHBondContact O-N 3.18Å; R425-L429 HydrophobicContact CG-CD1 3.82Å; R425-L429 WeakPolarHBondContact O-CB 3.33Å; R425-L429 WeakPolarHBondContact O-CG 3.29Å; R425-L429 PolarHBondContact O-N 3.19Å
426M95.4Very high95Very high6 Ų632.5 Ų32.53%0.0318%0.177CC..Hα-helixtrans-62.6-47.2-180178.3-106.3-67.900111.3I298 L339 L373 Y422 S423 T424 L428 T430I298-M426 HydrophobicContact CG1-CG 4.41Å; L339-M426 HydrophobicContact CD2-CE 4.12Å; L373-M426 HydrophobicContact CD1-CE 4.49Å; L373-M426 HydrophobicContact CD1-SD 3.89Å; L373-M426 HydrophobicContact CD2-SD 3.8Å; L373-M426 HydrophobicContact CG-SD 3.95Å; Y422-M426 WeakPolarHBondContact O-CB 3.32Å; Y422-M426 PolarHBondContact O-N 3.34Å; S423-M426 PolarHBondContact O-N 3.39Å; T424-M426 VanDerWaalsContact C-N 3.3Å; T424-M426 PolarHBondContact O-N 2.96Å; M426-L428 PolarHBondContact O-N 3.36Å; M426-T430 HydrophobicContact CG-CG2 4.48Å; M426-T430 WeakPolarHBondContact O-CB 3.21Å; M426-T430 WeakPolarHBondContact O-CG2 3.41Å; M426-T430 PolarHBondContact O-N 3.27Å; M426-T430 VanDerWaalsContact O-N 3.08Å; M426-T430 PolarHBondContact O-OG1 3.02Å
427I95.8Very high94.9Very high29 Ų2934.2 Ų34.215%0.14919%0.185CC..Hα-helixtrans-57.5-49.5175-67.1165.6000111.3T374 S377 S423 T424 L431T374-I427 HydrophobicContact CG2-CG2 4.27Å; S377-I427 WeakPolarHBondContact OG-CD1 3.29Å; S377-I427 WeakPolarHBondContact OG-CG1 3.45Å; S423-I427 WeakPolarHBondContact O-CG1 3.47Å; S423-I427 PolarHBondContact O-N 3.41Å; T424-I427 PolarHBondContact O-N 2.88Å; I427-L431 HydrophobicContact CG2-CD1 4.25Å; I427-L431 WeakPolarHBondContact O-CB 3.42Å; I427-L431 PolarHBondContact O-N 3.3Å
428L94.1Very high94.6Very high27 Ų2736.7 Ų36.714%0.14120%0.2CC..Hα-helixtrans-65-47.4-173.4-70.2164.2000111.6T424 R425 M426 T432 L502 N505T424-L428 WeakPolarHBondContact O-CB 3.44Å; T424-L428 WeakPolarHBondContact O-CD1 3.48Å; T424-L428 WeakPolarHBondContact O-CG 3.46Å; T424-L428 PolarHBondContact O-N 3.43Å; R425-L428 PolarHBondContact O-N 3.18Å; M426-L428 PolarHBondContact O-N 3.36Å; L428-T432 WeakPolarHBondContact CA-OG1 3.47Å; L428-T432 HydrophobicContact CD2-CG2 4.44Å; L428-T432 PolarHBondContact O-N 2.99Å; L428-T432 PolarHBondContact O-OG1 3.46Å; L428-L502 HydrophobicContact CD1-CD2 3.74Å; L428-L502 HydrophobicContact CD2-CD2 4.04Å; L428-L502 HydrophobicContact CG-CD2 4.45Å; L428-N505 WeakPolarHBondContact CB-ND2 3.31Å; L428-N505 HydrophobicContact CD1-CB 4Å
429L94.4Very high94.3Very high38 Ų3842.4 Ų42.420%0.19924%0.237CC..Hα-helixtrans-71.4-35.1-178.2-69173.9000112.5I356 R425 R436I356-L429 HydrophobicContact CB-CB 4.39Å; I356-L429 HydrophobicContact CD1-CB 4.43Å; I356-L429 HydrophobicContact CD1-CD1 3.56Å; I356-L429 HydrophobicContact CG1-CB 4.47Å; I356-L429 HydrophobicContact CG1-CD1 4.08Å; R425-L429 HydrophobicContact CG-CD1 3.82Å; R425-L429 WeakPolarHBondContact O-CB 3.33Å; R425-L429 WeakPolarHBondContact O-CG 3.29Å; R425-L429 PolarHBondContact O-N 3.19Å; L429-R436 PolarHBondContact O-NH2 3.09Å
430T95.5Very high93.8Very high0 Ų049 Ų490%027%0.271CS..Hα-helixtrans-86.2-47.2-175.861.30000113.1I298 I356 M359 G360 L362 M426I298-T430 HydrophobicContact CD1-CG2 4Å; I356-T430 HydrophobicContact CB-CG2 4.05Å; I356-T430 HydrophobicContact CG2-CG2 3.66Å; M359-T430 HydrophobicContact SD-CG2 3.69Å; G360-T430 VanDerWaalsContact CA-O 3.27Å; G360-T430 WeakPolarHBondContact CA-O 3.36Å; G360-T430 PolarHBondContact N-O 3.03Å; L362-T430 WeakPolarHBondContact CD1-O 3.42Å; L362-T430 WeakPolarHBondContact CG-O 3.37Å; M426-T430 HydrophobicContact CG-CG2 4.48Å; M426-T430 WeakPolarHBondContact O-CB 3.21Å; M426-T430 WeakPolarHBondContact O-CG2 3.41Å; M426-T430 PolarHBondContact O-N 3.27Å; M426-T430 VanDerWaalsContact O-N 3.08Å; M426-T430 PolarHBondContact O-OG1 3.02Å
431L95.7Very high93.2Very high2 Ų249.9 Ų49.91%0.0128%0.276CS..Hα-helixtrans-93.4-37-171-58.3-174.7000113.2G361 L362 L363 L373 T374 I427G361-L431 CarbonylContact C-O 3.6Å; G361-L431 WeakPolarHBondContact CA-O 3.31Å; G361-L431 PolarHBondContact N-O 2.8Å; L362-L431 HydrophobicContact CB-CD2 4.09Å; L362-L431 PolarHBondContact N-O 3.5Å; L362-L431 VanDerWaalsContact N-O 3.14Å; L363-L431 PolarHBondContact N-O 3.49Å; L373-L431 HydrophobicContact CB-CD1 4.42Å; L373-L431 HydrophobicContact CD2-CD1 3.92Å; L373-L431 HydrophobicContact CD2-CD2 3.9Å; L373-L431 HydrophobicContact CD2-CG 3.9Å; T374-L431 HydrophobicContact CG2-CD1 3.67Å; I427-L431 HydrophobicContact CG2-CD1 4.25Å; I427-L431 WeakPolarHBondContact O-CB 3.42Å; I427-L431 PolarHBondContact O-N 3.3Å
432T93.3Very high92.6Very high54 Ų5456.2 Ų56.233%0.33131%0.309SS..SBendtrans-98.8178.1-17477.90000112.6G361 L428G361-T432 PolarHBondContact N-O 3.2Å; G361-T432 VanDerWaalsContact N-O 3.17Å; L428-T432 WeakPolarHBondContact CA-OG1 3.47Å; L428-T432 HydrophobicContact CD2-CG2 4.44Å; L428-T432 PolarHBondContact O-N 2.99Å; L428-T432 PolarHBondContact O-OG1 3.46Å
433G89.6Confident92.5Very high54 Ų5458.2 Ų58.256%0.55732%0.32SS*.SBendtrans75-165.7-178.500000113.5G361G361-G433 WeakPolarHBondContact CA-O 3.43Å; G361-G433 PolarHBondContact N-O 2.96Å
434Q91.3Very high92.3Very high152 Ų15261.6 Ų61.671%0.7134%0.337SS*.SBendtrans-85.3149.6178.3-61.9-62.6-13.900111.2R436Q434-R436 PolarHBondContact O-N 3.1Å; Q434-R436 PolarHBondContact O-NH1 3.31Å; Q434-R436 VanDerWaalsContact O-NH1 3.1Å
435P94.3Very high92.2Very high71 Ų7161.6 Ų61.646%0.46134%0.336SS..  trans-63.8127.6175.527.7-34.5000110.9G360 F437G360-P435 WeakPolarHBondContact O-CA 3.4Å; P435-F437 HydrophobicContact CB-CD1 3.88Å; P435-F437 HydrophobicContact CB-CE1 3.28Å; P435-F437 HydrophobicContact CB-CE2 4.27Å; P435-F437 HydrophobicContact CB-CZ 3.51Å
436R94Very high92.2Very high104 Ų10464.9 Ų64.939%0.39236%0.359SS..  trans-115.58.4176.4-58.4175-65.3-79.73.7113R357 K358 M359 L429 Q434R357-R436 WeakPolarHBondContact O-CD 3.49Å; R357-R436 PolarHBondContact O-NE 3.37Å; K358-R436 CarbonylContact O-C 3.44Å; K358-R436 VanDerWaalsContact O-C 3.31Å; M359-R436 WeakPolarHBondContact O-CB 3.36Å; M359-R436 PolarHBondContact O-N 2.64Å; M359-R436 PolarHBondContact O-NE 3.42Å; M359-R436 PolarHBondContact O-NH2 3.43Å; L429-R436 PolarHBondContact O-NH2 3.09Å; Q434-R436 PolarHBondContact O-N 3.1Å; Q434-R436 PolarHBondContact O-NH1 3.31Å; Q434-R436 VanDerWaalsContact O-NH1 3.1Å
437F93.5Very high92.1Very high39 Ų3967.2 Ų67.217%0.17137%0.372CS..SBendtrans-79.6160.9176.651.4-100000110.9L350 K358 G360 L362 P435 T441 I443L350-F437 HydrophobicContact CD2-CB 3.81Å; L350-F437 HydrophobicContact CD2-CD1 4Å; L350-F437 HydrophobicContact CD2-CD2 4.22Å; L350-F437 HydrophobicContact CD2-CG 3.77Å; K358-F437 WeakPolarHBondContact O-CA 3.26Å; K358-F437 VanDerWaalsContact O-CB 3.27Å; K358-F437 WeakPolarHBondContact O-CB 3.4Å; K358-F437 PolarHBondContact O-N 3.07Å; K358-F437 VanDerWaalsContact O-N 3.08Å; G360-F437 WeakPolarHBondContact O-CE1 3.42Å; L362-F437 HydrophobicContact CD2-CE1 4.18Å; P435-F437 HydrophobicContact CB-CD1 3.88Å; P435-F437 HydrophobicContact CB-CE1 3.28Å; P435-F437 HydrophobicContact CB-CE2 4.27Å; P435-F437 HydrophobicContact CB-CZ 3.51Å; F437-T441 HydrophobicContact CD2-CG2 4.11Å; F437-T441 WeakPolarHBondContact CD2-OG1 3.24Å; F437-T441 WeakPolarHBondContact CE2-OG1 3.04Å; F437-I443 HydrophobicContact CE2-CD1 4.31Å; F437-I443 HydrophobicContact CZ-CD1 4.03Å
438P91.6Very high92.1Very high67 Ų6769.6 Ų69.644%0.43539%0.389SS..  trans-55.1145.7176.7-24.634.2000112.5L440 T441P438-L440 PolarHBondContact O-N 3.43Å; P438-L440 VanDerWaalsContact O-N 3.14Å; P438-T441 WeakPolarHBondContact O-CG2 3.2Å; P438-T441 PolarHBondContact O-OG1 3.09Å
439T90.7Very high92.2Very high151 Ų15170 Ų7093%0.92639%0.393SS*.SBendtrans-58-32.8-173.950.90000113.9T441T439-T441 PolarHBondContact O-N 3.46Å
440L85.9Confident92.2Very high140 Ų14068.2 Ų68.273%0.73338%0.383SS*.  trans-101.872.1-174-150.6146.6000110.8P438P438-L440 PolarHBondContact O-N 3.43Å; P438-L440 VanDerWaalsContact O-N 3.14Å
441T82.3Confident92.3Very high21 Ų2169.7 Ų69.713%0.12939%0.391CS..  trans-117.4121.217646.10000110.8L350 F437 P438 T439 I443L350-T441 HydrophobicContact CD2-CG2 4.23Å; F437-T441 HydrophobicContact CD2-CG2 4.11Å; F437-T441 WeakPolarHBondContact CD2-OG1 3.24Å; F437-T441 WeakPolarHBondContact CE2-OG1 3.04Å; P438-T441 WeakPolarHBondContact O-CG2 3.2Å; P438-T441 PolarHBondContact O-OG1 3.09Å; T439-T441 PolarHBondContact O-N 3.46Å; T441-I443 PolarHBondContact O-N 3.23Å
442N85.5Confident92.3Very high141 Ų14172.7 Ų72.775%0.75441%0.407SS*.  trans-87.881175.9-77.9-2.3000109.5N444N442-N444 PolarHBondContact O-N 3.07Å
443I92.6Very high92.5Very high47 Ų4770.1 Ų70.124%0.24139%0.391CS..  trans-72.9118.1176.8-59.5173.8000108.8N349 L350 L362 T365 M366 F437 T441N349-I443 HydrophobicContact CB-CG2 4.44Å; L350-I443 HydrophobicContact CD2-CD1 4.44Å; L362-I443 HydrophobicContact CD2-CD1 4.38Å; T365-I443 HydrophobicContact CG2-CD1 4.36Å; M366-I443 HydrophobicContact CG-CG2 3.35Å; M366-I443 HydrophobicContact SD-CG2 3.73Å; F437-I443 HydrophobicContact CE2-CD1 4.31Å; F437-I443 HydrophobicContact CZ-CD1 4.03Å; T441-I443 PolarHBondContact O-N 3.23Å
444N92.3Very high92.8Very high73 Ų7367.5 Ų67.539%0.3936%0.364SS..  trans-137122173-175.37.7000110.6N349 N442 N446N349-N444 PolarHBondContact ND2-O 3.14Å; N349-N444 PolarHBondContact OD1-O 3.22Å; N442-N444 PolarHBondContact O-N 3.07Å; N444-N446 WeakPolarHBondContact OD1-CB 3.41Å; N444-N446 PolarHBondContact OD1-N 2.66Å
445E93.9Very high93.1Very high12 Ų1265.6 Ų65.66%0.05635%0.354CS..  trans-107.2-6.9177.5-150.6-174.8170.600112.8M366 L368 T369 N447 L450 L451M366-E445 WeakPolarHBondContact CA-OE2 3.09Å; M366-E445 WeakPolarHBondContact CB-OE2 3.31Å; M366-E445 HydrophobicContact CE-CG 4.25Å; L368-E445 VanDerWaalsContact CB-OE1 3.3Å; L368-E445 WeakPolarHBondContact CB-OE1 3.34Å; L368-E445 PolarHBondContact N-OE2 2.91Å; T369-E445 WeakPolarHBondContact CB-OE1 3.4Å; T369-E445 HydrophobicContact CG2-CG 4.28Å; T369-E445 WeakPolarHBondContact CG2-OE1 3.37Å; T369-E445 PolarHBondContact N-OE1 3.12Å; T369-E445 PolarHBondContact OG1-OE1 2.8Å; E445-N447 PolarHBondContact O-N 3.17Å; E445-L450 HydrophobicContact CG-CD2 4.03Å; E445-L451 HydrophobicContact CG-CD2 3.92Å; E445-L451 WeakPolarHBondContact O-CD2 3.41Å; E445-L451 VanDerWaalsContact O-CG 3.27Å; E445-L451 WeakPolarHBondContact O-CG 3.44Å
446N93.6Very high93.2Very high134 Ų13464.2 Ų64.272%0.71734%0.339SS*.  trans-7614.3-164-66.4-20.8000115.4N444N444-N446 WeakPolarHBondContact OD1-CB 3.41Å; N444-N446 PolarHBondContact OD1-N 2.66Å
447N95.1Very high93.4Very high56 Ų5659.2 Ų59.230%0.29932%0.321SS..  trans-85.8124.9-179.6-71.3-41.4000111.3W106 E445 T449 L450 L451W106-N447 VanDerWaalsContact CD1-ND2 3.35Å; W106-N447 PolarHBondContact NE1-ND2 3.4Å; E445-N447 PolarHBondContact O-N 3.17Å; N447-T449 VanDerWaalsContact C-N 3.26Å; N447-T449 PolarHBondContact O-N 3.49Å; N447-L450 HydrophobicContact CB-CB 4.25Å; N447-L450 WeakPolarHBondContact O-CB 3.45Å; N447-L450 PolarHBondContact O-N 3.38Å; N447-L451 WeakPolarHBondContact O-CG 3.22Å; N447-L451 PolarHBondContact O-N 3.42Å
448P95.6Very high93.5Very high79 Ų7958 Ų5851%0.51332%0.318SS..Hα-helixtrans-63.6-32.8-17824.8-33.6000112.5L450 L451 N452P448-L450 PolarHBondContact O-N 2.94Å; P448-L451 PolarHBondContact O-N 2.86Å; P448-N452 WeakPolarHBondContact O-CB 3.41Å; P448-N452 PolarHBondContact O-N 3.34Å; P448-N452 PolarHBondContact O-ND2 3.1Å
449T94.9Very high93.8Very high36 Ų3657 Ų5722%0.22132%0.315CS..Hα-helixtrans-64.8-22.1174.946.40000113.3N447 P453N447-T449 VanDerWaalsContact C-N 3.26Å; N447-T449 PolarHBondContact O-N 3.49Å; T449-P453 WeakPolarHBondContact O-CD 3.4Å; T449-P453 WeakPolarHBondContact O-CG 3.37Å
450L95.8Very high94Very high0 Ų050.2 Ų50.20%028%0.275CS..Hα-helixtrans-88.9-49.3171.2171.364.3000111.5F103 W106 E445 N447 P448 P453 I454F103-L450 HydrophobicContact CD2-CD1 3.76Å; F103-L450 HydrophobicContact CE2-CD1 3.58Å; W106-L450 HydrophobicContact CD2-CB 4.11Å; W106-L450 HydrophobicContact CD2-CD1 4.39Å; W106-L450 HydrophobicContact CD2-CD2 4.44Å; W106-L450 HydrophobicContact CE3-CB 4.44Å; W106-L450 HydrophobicContact CE3-CD1 3.91Å; W106-L450 HydrophobicContact CG-CB 4.19Å; W106-L450 HydrophobicContact CH2-CD1 4.38Å; W106-L450 HydrophobicContact CH2-CD2 4.05Å; W106-L450 HydrophobicContact CZ2-CD2 3.96Å; W106-L450 HydrophobicContact CZ3-CD1 3.91Å; W106-L450 HydrophobicContact CZ3-CD2 4.38Å; E445-L450 HydrophobicContact CG-CD2 4.03Å; N447-L450 HydrophobicContact CB-CB 4.25Å; N447-L450 WeakPolarHBondContact O-CB 3.45Å; N447-L450 PolarHBondContact O-N 3.38Å; P448-L450 PolarHBondContact O-N 2.94Å; L450-P453 VanDerWaalsContact O-CD 3.29Å; L450-P453 WeakPolarHBondContact O-CD 3.26Å; L450-P453 VanDerWaalsContact O-CG 3.29Å; L450-P453 WeakPolarHBondContact O-CG 3.49Å; L450-I454 HydrophobicContact CD1-CD1 3.7Å; L450-I454 HydrophobicContact CG-CD1 4.2Å; L450-I454 WeakPolarHBondContact O-CG1 3.44Å
451L95.9Very high94.4Very high30 Ų3043.6 Ų43.616%0.15724%0.24CC..Hα-helixtrans-68-42.3-172.9-62171.7000112.5L368 E445 N447 P448 I454 K455L368-L451 HydrophobicContact CB-CD2 4.21Å; L368-L451 HydrophobicContact CD2-CB 4Å; L368-L451 HydrophobicContact CD2-CD2 3.3Å; L368-L451 HydrophobicContact CD2-CG 4.23Å; L368-L451 HydrophobicContact CG-CD2 4.35Å; E445-L451 HydrophobicContact CG-CD2 3.92Å; E445-L451 WeakPolarHBondContact O-CD2 3.41Å; E445-L451 VanDerWaalsContact O-CG 3.27Å; E445-L451 WeakPolarHBondContact O-CG 3.44Å; N447-L451 WeakPolarHBondContact O-CG 3.22Å; N447-L451 PolarHBondContact O-N 3.42Å; P448-L451 PolarHBondContact O-N 2.86Å; L451-I454 PolarHBondContact O-N 2.91Å; L451-K455 WeakPolarHBondContact O-CB 3.4Å; L451-K455 WeakPolarHBondContact O-CG 3.24Å; L451-K455 PolarHBondContact O-N 3.43Å
452N96.8Very high95.1Very high65 Ų6545.4 Ų45.435%0.34825%0.249SC..Hα-helixtrans-61.3-50.3-176.7-68.7-18.8000113.8P448 I454 K455 R456P448-N452 WeakPolarHBondContact O-CB 3.41Å; P448-N452 PolarHBondContact O-N 3.34Å; P448-N452 PolarHBondContact O-ND2 3.1Å; N452-I454 VanDerWaalsContact C-N 3.32Å; N452-I454 PolarHBondContact O-N 3.11Å; N452-K455 PolarHBondContact O-N 3.12Å; N452-R456 WeakPolarHBondContact O-CG 3.4Å; N452-R456 PolarHBondContact O-N 2.75Å
453P97Very high95.6Very high0 Ų044.7 Ų44.70%024%0.239CC..Hα-helixtrans-63.7-37.4178.624.4-34.2000112.5S99 E102 F103 M341 T449 L450 R456 L457S99-P453 WeakPolarHBondContact O-CB 3.24Å; E102-P453 HydrophobicContact CB-CB 4.46Å; E102-P453 HydrophobicContact CB-CG 4.4Å; E102-P453 HydrophobicContact CG-CG 4.34Å; F103-P453 HydrophobicContact CB-CG 4.13Å; M341-P453 HydrophobicContact CE-CB 4.18Å; M341-P453 HydrophobicContact SD-CB 4.15Å; T449-P453 WeakPolarHBondContact O-CD 3.4Å; T449-P453 WeakPolarHBondContact O-CG 3.37Å; L450-P453 VanDerWaalsContact O-CD 3.29Å; L450-P453 WeakPolarHBondContact O-CD 3.26Å; L450-P453 VanDerWaalsContact O-CG 3.29Å; L450-P453 WeakPolarHBondContact O-CG 3.49Å; P453-R456 PolarHBondContact O-N 2.88Å; P453-L457 PolarHBondContact O-N 3.34Å
454I96.9Very high95.6Very high0 Ų042.9 Ų42.90%023%0.232CC..Hα-helixtrans-63.1-47.1175.3-66.6173.7000110.6M341 L368 T369 S372 L450 L451 N452 R456 L457 A458M341-I454 HydrophobicContact CB-CG1 4.39Å; M341-I454 HydrophobicContact CE-CG1 3.89Å; L368-I454 HydrophobicContact CD2-CG2 4.34Å; L368-I454 HydrophobicContact CG-CG2 4.48Å; T369-I454 HydrophobicContact CG2-CD1 3.73Å; S372-I454 VanDerWaalsContact CB-CG2 3.46Å; S372-I454 WeakPolarHBondContact OG-CG2 3.2Å; L450-I454 HydrophobicContact CD1-CD1 3.7Å; L450-I454 HydrophobicContact CG-CD1 4.2Å; L450-I454 WeakPolarHBondContact O-CG1 3.44Å; L451-I454 PolarHBondContact O-N 2.91Å; N452-I454 VanDerWaalsContact C-N 3.32Å; N452-I454 PolarHBondContact O-N 3.11Å; I454-R456 VanDerWaalsContact C-N 3.34Å; I454-R456 PolarHBondContact O-N 3.14Å; I454-L457 PolarHBondContact O-N 3.13Å; I454-A458 VanDerWaalsContact O-CB 3.29Å; I454-A458 WeakPolarHBondContact O-CB 3.41Å; I454-A458 PolarHBondContact O-N 3.1Å
455K97Very high95.7Very high111 Ų11139.4 Ų39.448%0.48321%0.213SC..Hα-helixtrans-59.7-42.6176.6-74.3175.6-174.9178.10112.3L368 L451 N452 A458 A459L368-K455 HydrophobicContact CD1-CG 4.19Å; L368-K455 HydrophobicContact CD2-CG 4.01Å; L451-K455 WeakPolarHBondContact O-CB 3.4Å; L451-K455 WeakPolarHBondContact O-CG 3.24Å; L451-K455 PolarHBondContact O-N 3.43Å; N452-K455 PolarHBondContact O-N 3.12Å; K455-A458 PolarHBondContact O-N 3.01Å; K455-A459 PolarHBondContact O-N 3.07Å
456R97.2Very high95.7Very high42 Ų4243.3 Ų43.316%0.15823%0.23CC..Hα-helixtrans-63.3-46.1177.8-73.3-167.2-54.6-96.54.5112.1F95 W98 E102 N452 P453 I454 A459 G460F95-R456 HydrophobicContact CZ-CB 3.93Å; W98-R456 VanDerWaalsContact CZ3-CD 3.42Å; E102-R456 IonicContact OE2-CZ 3.11Å; E102-R456 IonicContact OE2-NH1 2.71Å; E102-R456 PolarHBondContact OE2-NH1 3.22Å; E102-R456 IonicContact OE2-NH2 2.86Å; E102-R456 PolarHBondContact OE2-NH2 3.06Å; N452-R456 WeakPolarHBondContact O-CG 3.4Å; N452-R456 PolarHBondContact O-N 2.75Å; P453-R456 PolarHBondContact O-N 2.88Å; I454-R456 VanDerWaalsContact C-N 3.34Å; I454-R456 PolarHBondContact O-N 3.14Å; R456-A459 PolarHBondContact O-N 3.19Å; R456-G460 PolarHBondContact O-N 2.83Å
457L96.8Very high95.7Very high0 Ų041.4 Ų41.40%022%0.219CC..Hα-helixtrans-70.3-32.4177.3-75.5178.3000112.6F95 V96 S99 F334 A337 M338 M341 P453 I454 G460 S461F95-L457 HydrophobicContact CD1-CD2 4.09Å; F95-L457 HydrophobicContact CE1-CD2 3.91Å; V96-L457 HydrophobicContact CG2-CD2 4.1Å; S99-L457 WeakPolarHBondContact OG-CD1 3.33Å; S99-L457 WeakPolarHBondContact OG-CG 3.23Å; F334-L457 HydrophobicContact CD1-CD2 4.06Å; A337-L457 HydrophobicContact CB-CD1 3.64Å; A337-L457 HydrophobicContact CB-CD2 4.45Å; M338-L457 HydrophobicContact CB-CB 4.09Å; M338-L457 HydrophobicContact CG-CB 4.46Å; M341-L457 HydrophobicContact CE-CB 4.25Å; M341-L457 HydrophobicContact CE-CD1 3.15Å; M341-L457 HydrophobicContact CE-CG 4.06Å; M341-L457 HydrophobicContact SD-CD1 3.84Å; P453-L457 PolarHBondContact O-N 3.34Å; I454-L457 PolarHBondContact O-N 3.13Å; L457-G460 CarbonylContact O-C 3.51Å; L457-G460 PolarHBondContact O-N 2.87Å; L457-S461 WeakPolarHBondContact O-CB 3.27Å; L457-S461 PolarHBondContact O-N 3.48Å; L457-S461 PolarHBondContact O-OG 3.5Å
458A96.9Very high95.5Very high14 Ų1439.8 Ų39.812%0.11621%0.21CC..Hα-helixtrans-62-48.217200000111.2M338 I454 K455 G460 S461 L462M338-A458 WeakPolarHBondContact SD-CA 3.35Å; M338-A458 HydrophobicContact SD-CB 3.77Å; I454-A458 VanDerWaalsContact O-CB 3.29Å; I454-A458 WeakPolarHBondContact O-CB 3.41Å; I454-A458 PolarHBondContact O-N 3.1Å; K455-A458 PolarHBondContact O-N 3.01Å; A458-G460 VanDerWaalsContact C-N 3.3Å; A458-G460 PolarHBondContact O-N 2.91Å; A458-S461 WeakPolarHBondContact CA-OG 3.25Å; A458-S461 PolarHBondContact O-N 3.29Å; A458-S461 VanDerWaalsContact O-N 3.1Å; A458-S461 PolarHBondContact O-OG 3.09Å; A458-L462 WeakPolarHBondContact O-CG 3.48Å; A458-L462 PolarHBondContact O-N 3.48Å; A458-L462 VanDerWaalsContact O-N 3.08Å
459A96.6Very high95.3Very high46 Ų4637.8 Ų37.838%0.3820%0.197SC..Hα-helixtrans-58.4-42173.400000111.8K455 R456 S461 L462 F463K455-A459 PolarHBondContact O-N 3.07Å; R456-A459 PolarHBondContact O-N 3.19Å; A459-S461 PolarHBondContact O-N 3.42Å; A459-L462 PolarHBondContact O-N 2.96Å; A459-F463 WeakPolarHBondContact O-CD2 3.3Å; A459-F463 PolarHBondContact O-N 3.49Å
460G95.3Very high95.1Very high8 Ų840.5 Ų40.58%0.08221%0.21CC..Hα-helixtrans-58-46.1172.200000112.8T387 R456 L457 A458 L462 F463 A464T387-G460 VanDerWaalsContact CG2-O 3.28Å; T387-G460 WeakPolarHBondContact CG2-O 3.36Å; R456-G460 PolarHBondContact O-N 2.83Å; L457-G460 CarbonylContact O-C 3.51Å; L457-G460 PolarHBondContact O-N 2.87Å; A458-G460 VanDerWaalsContact C-N 3.3Å; A458-G460 PolarHBondContact O-N 2.91Å; G460-L462 PolarHBondContact O-N 3.43Å; G460-F463 PolarHBondContact O-N 2.93Å; G460-A464 WeakPolarHBondContact O-CB 3.33Å; G460-A464 PolarHBondContact O-N 3.08Å
461S95.4Very high94.7Very high0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-71.6-9179.371.60000115.3M338 I375 T387 L457 A458 A459M338-S461 WeakPolarHBondContact CE-OG 3.29Å; I375-S461 WeakPolarHBondContact CG2-OG 3.34Å; T387-S461 VanDerWaalsContact CG2-C 3.44Å; T387-S461 VanDerWaalsContact CG2-O 3.28Å; T387-S461 WeakPolarHBondContact CG2-O 3.01Å; T387-S461 PolarHBondContact N-O 3.28Å; T387-S461 PolarHBondContact OG1-O 2.8Å; L457-S461 WeakPolarHBondContact O-CB 3.27Å; L457-S461 PolarHBondContact O-N 3.48Å; L457-S461 PolarHBondContact O-OG 3.5Å; A458-S461 WeakPolarHBondContact CA-OG 3.25Å; A458-S461 PolarHBondContact O-N 3.29Å; A458-S461 VanDerWaalsContact O-N 3.1Å; A458-S461 PolarHBondContact O-OG 3.09Å; A459-S461 PolarHBondContact O-N 3.42Å
462L96Very high94.2Very high59 Ų5944.8 Ų44.831%0.30923%0.233SC..Hα-helixtrans-94.9-50.9170.1-65.5173.7000110.8I375 L386 A458 A459 G460I375-L462 HydrophobicContact CG2-CD2 3.85Å; I375-L462 HydrophobicContact CG2-CG 4.31Å; L386-L462 HydrophobicContact CD2-CD2 3.35Å; A458-L462 WeakPolarHBondContact O-CG 3.48Å; A458-L462 PolarHBondContact O-N 3.48Å; A458-L462 VanDerWaalsContact O-N 3.08Å; A459-L462 PolarHBondContact O-N 2.96Å; G460-L462 PolarHBondContact O-N 3.43Å
463F95.8Very high93.3Very high126 Ų12643.6 Ų43.655%0.55323%0.229SC*.Hα-helixtrans-105.5-26.7-165.5-61.6-68.4000115.3A459 G460 G465 F466 L467A459-F463 WeakPolarHBondContact O-CD2 3.3Å; A459-F463 PolarHBondContact O-N 3.49Å; G460-F463 PolarHBondContact O-N 2.93Å; F463-G465 PolarHBondContact O-N 3.5Å; F463-F466 PolarHBondContact O-N 2.94Å; F463-L467 HydrophobicContact CB-CD1 4.36Å; F463-L467 WeakPolarHBondContact O-CG 3.48Å; F463-L467 PolarHBondContact O-N 3.36Å
464A93.8Very high92.2Very high10 Ų1048.6 Ų48.68%0.08326%0.262CS..Hα-helixtrans-63-41.8-168.900000112.6F334 T387 G460 F466 L467 I468F334-A464 HydrophobicContact CD2-CB 3.95Å; F334-A464 HydrophobicContact CE1-CB 4.2Å; F334-A464 HydrophobicContact CE2-CB 3.6Å; F334-A464 HydrophobicContact CG-CB 4.42Å; F334-A464 HydrophobicContact CZ-CB 3.73Å; T387-A464 HydrophobicContact CG2-CB 4.46Å; G460-A464 WeakPolarHBondContact O-CB 3.33Å; G460-A464 PolarHBondContact O-N 3.08Å; A464-F466 PolarHBondContact O-N 3.01Å; A464-L467 PolarHBondContact O-N 2.91Å; A464-I468 HydrophobicContact CB-CD1 4.29Å; A464-I468 VanDerWaalsContact O-CB 3.22Å; A464-I468 WeakPolarHBondContact O-CB 3.27Å; A464-I468 WeakPolarHBondContact O-CD1 3.5Å; A464-I468 WeakPolarHBondContact O-CG1 3.46Å; A464-I468 PolarHBondContact O-N 3.47Å
465G92.8Very high91Very high0 Ų051.4 Ų51.40%029%0.285CS..Hα-helixtrans-57.7-48.6176.500000112.5F463 I468 T469F463-G465 PolarHBondContact O-N 3.5Å; G465-I468 PolarHBondContact O-N 3.3Å; G465-T469 WeakPolarHBondContact O-CG2 3.49Å; G465-T469 PolarHBondContact O-N 3.11Å; G465-T469 PolarHBondContact O-OG1 3.05Å
466F94Very high89.7Confident93 Ų9347 Ų4741%0.40827%0.268SS..Hα-helixtrans-61-46.4175.9174.2-106.1000112.4Y390 F463 A464 T469 N470Y390-F466 HydrophobicContact CE1-CB 4.38Å; Y390-F466 HydrophobicContact CE1-CD2 4.04Å; Y390-F466 HydrophobicContact CE2-CB 3.74Å; Y390-F466 AromaticContact CZ-CD2 3.73Å; Y390-F466 WeakPolarHBondContact OH-CD2 3.41Å; F463-F466 PolarHBondContact O-N 2.94Å; A464-F466 PolarHBondContact O-N 3.01Å; F466-T469 PolarHBondContact O-OG1 3.35Å; F466-T469 VanDerWaalsContact O-OG1 3.13Å; F466-N470 WeakPolarHBondContact CD2-ND2 3.3Å; F466-N470 WeakPolarHBondContact CE1-ND2 3.46Å; F466-N470 WeakPolarHBondContact CE2-ND2 3.31Å; F466-N470 WeakPolarHBondContact CZ-ND2 3.21Å; F466-N470 WeakPolarHBondContact O-CB 3.47Å; F466-N470 PolarHBondContact O-N 2.97Å; F466-N470 VanDerWaalsContact O-N 3.15Å; F466-N470 PolarHBondContact O-ND2 2.85Å
467L93.8Very high88.4Confident94 Ų9450.8 Ų50.849%0.49230%0.298SS..Hα-helixtrans-63.6-43.7178.9-70.9172.5000111.5F463 A464 N471F463-L467 HydrophobicContact CB-CD1 4.36Å; F463-L467 WeakPolarHBondContact O-CG 3.48Å; F463-L467 PolarHBondContact O-N 3.36Å; A464-L467 PolarHBondContact O-N 2.91Å; L467-N471 WeakPolarHBondContact O-CB 3.48Å; L467-N471 PolarHBondContact O-N 2.86Å; L467-N471 PolarHBondContact O-ND2 3.42Å
468I92.3Very high87.2Confident22 Ų2256.1 Ų56.111%0.11332%0.322CS..Hα-helixtrans-65-52179.9-69.5165.6000109.2L327 C330 F334 A464 G465 N470 N471 I472L327-I468 HydrophobicContact CD1-CG2 3.56Å; C330-I468 HydrophobicContact CB-CD1 4.29Å; F334-I468 HydrophobicContact CE2-CD1 4.36Å; A464-I468 HydrophobicContact CB-CD1 4.29Å; A464-I468 VanDerWaalsContact O-CB 3.22Å; A464-I468 WeakPolarHBondContact O-CB 3.27Å; A464-I468 WeakPolarHBondContact O-CD1 3.5Å; A464-I468 WeakPolarHBondContact O-CG1 3.46Å; A464-I468 PolarHBondContact O-N 3.47Å; G465-I468 PolarHBondContact O-N 3.3Å; I468-N470 VanDerWaalsContact C-N 3.31Å; I468-N470 PolarHBondContact O-N 3.02Å; I468-N471 PolarHBondContact O-N 3.5Å; I468-I472 HydrophobicContact CB-CD1 4.48Å; I468-I472 HydrophobicContact CG2-CD1 3.27Å; I468-I472 HydrophobicContact CG2-CG1 4.05Å; I468-I472 VanDerWaalsContact O-CD1 3.28Å; I468-I472 WeakPolarHBondContact O-CD1 3.39Å; I468-I472 WeakPolarHBondContact O-CG1 3.43Å; I468-I472 PolarHBondContact O-N 3.39Å; I468-I472 VanDerWaalsContact O-N 3.07Å
469T90.6Very high86Confident37 Ų3760.6 Ų60.623%0.22734%0.34CS..Hα-helixtrans-61.3-36-177.749.50000114.4L327 Y390 G465 F466L327-T469 HydrophobicContact CD1-CG2 3.82Å; L327-T469 HydrophobicContact CD2-CG2 3.76Å; L327-T469 HydrophobicContact CG-CG2 4.38Å; Y390-T469 HydrophobicContact CD1-CG2 4.16Å; Y390-T469 HydrophobicContact CG-CG2 4.22Å; G465-T469 WeakPolarHBondContact O-CG2 3.49Å; G465-T469 PolarHBondContact O-N 3.11Å; G465-T469 PolarHBondContact O-OG1 3.05Å; F466-T469 PolarHBondContact O-OG1 3.35Å; F466-T469 VanDerWaalsContact O-OG1 3.13Å
470N90Very high85.1Confident94 Ų9464.4 Ų64.450%0.50336%0.359SS..Hα-helixtrans-75.9-26.9-178.5-67.1-9.9000113.1F466 I468F466-N470 WeakPolarHBondContact CD2-ND2 3.3Å; F466-N470 WeakPolarHBondContact CE1-ND2 3.46Å; F466-N470 WeakPolarHBondContact CE2-ND2 3.31Å; F466-N470 WeakPolarHBondContact CZ-ND2 3.21Å; F466-N470 WeakPolarHBondContact O-CB 3.47Å; F466-N470 PolarHBondContact O-N 2.97Å; F466-N470 VanDerWaalsContact O-N 3.15Å; F466-N470 PolarHBondContact O-ND2 2.85Å; I468-N470 VanDerWaalsContact C-N 3.31Å; I468-N470 PolarHBondContact O-N 3.02Å
471N88.7Confident84.7Confident88 Ų8869.6 Ų69.647%0.47139%0.389SS..Hα-helixtrans-93.4-18.7-176.5-65.5-27.1000112.7M55 L467 I468M55-N471 HydrophobicContact CE-CB 3.34Å; M55-N471 HydrophobicContact SD-CB 3.7Å; L467-N471 WeakPolarHBondContact O-CB 3.48Å; L467-N471 PolarHBondContact O-N 2.86Å; L467-N471 PolarHBondContact O-ND2 3.42Å; I468-N471 PolarHBondContact O-N 3.5Å
472I85.3Confident84.4Confident31 Ų3171.5 Ų71.516%0.15940%0.399CS..SBendtrans-70.5132.7178.4-69.6160.8000110.6Y84 M88 L327 I468Y84-I472 HydrophobicContact CE2-CB 4.33Å; Y84-I472 HydrophobicContact CE2-CD1 4.44Å; Y84-I472 HydrophobicContact CE2-CG1 3.89Å; Y84-I472 HydrophobicContact CE2-CG2 3.64Å; Y84-I472 WeakPolarHBondContact OH-CD1 3.3Å; Y84-I472 WeakPolarHBondContact OH-CG1 3.4Å; M88-I472 HydrophobicContact CE-CG1 3.78Å; L327-I472 HydrophobicContact CD1-CD1 3.5Å; I468-I472 HydrophobicContact CB-CD1 4.48Å; I468-I472 HydrophobicContact CG2-CD1 3.27Å; I468-I472 HydrophobicContact CG2-CG1 4.05Å; I468-I472 VanDerWaalsContact O-CD1 3.28Å; I468-I472 WeakPolarHBondContact O-CD1 3.39Å; I468-I472 WeakPolarHBondContact O-CG1 3.43Å; I468-I472 PolarHBondContact O-N 3.39Å; I468-I472 VanDerWaalsContact O-N 3.07Å
473S78.4Confident84.3Confident40 Ų4071 Ų7128%0.2840%0.399SS..  trans-60.3127.7165.961.30000110.7A475S473-A475 PolarHBondContact O-N 2.91Å
474P73Confident84.2Confident106 Ų10671.3 Ų71.369%0.68841%0.406SS*.  trans-65.2104.7179.826.1-33000110.8F478P474-F478 HydrophobicContact CB-CE2 4.5Å
475A71.2Confident84.2Confident59 Ų5978.8 Ų78.849%0.48843%0.433SS..  trans-84.6-30.7-177.100000113.4H323 S473H323-A475 HydrophobicContact CB-CB 4.45Å; S473-A475 PolarHBondContact O-N 2.91Å
476S70.3Confident84.2Confident18 Ų1880.4 Ų80.413%0.12644%0.442CS..SBendtrans-122.9144.1173.857.60000110.6Q321 F478Q321-S476 PolarHBondContact OE1-OG 2.9Å; S476-F478 PolarHBondContact O-N 3.27Å; S476-F478 VanDerWaalsContact O-N 3.13Å
477P70.6Confident84.2Confident122 Ų12279.3 Ų79.379%0.79244%0.437SS*.  trans-65.1116.8177.526.5-33000109.4Q479P477-Q479 PolarHBondContact O-N 3.48Å
478F70.5Confident84.2Confident111 Ų11179 Ų7949%0.48744%0.435SS..  trans-69.6128.8171.5-64.7-64.7000109.7L324 P474 S476 T480L324-F478 HydrophobicContact CD2-CE1 4.16Å; P474-F478 HydrophobicContact CB-CE2 4.5Å; S476-F478 PolarHBondContact O-N 3.27Å; S476-F478 VanDerWaalsContact O-N 3.13Å; F478-T480 PolarHBondContact O-N 3.34Å
479Q71.6Confident84.3Confident109 Ų10979.1 Ų79.151%0.50944%0.437SS..  trans-76.2107.3172.4-67.8179.4-12.900108.8P477P477-Q479 PolarHBondContact O-N 3.48Å
480T76.9Confident84.5Confident126 Ų12677.7 Ų77.777%0.77343%0.429SS*.  trans-89.5-15.7-176.952.40000113.5F478F478-T480 PolarHBondContact O-N 3.34Å
481T87.2Confident84.7Confident117 Ų11777 Ų7772%0.71843%0.425SS*.  trans-98.898.4-178.855.20000111.1
482I90.7Very high85Confident39 Ų3975.5 Ų75.520%0.242%0.424CS..  trans-134.2140.4179.748.7-178.4000110.1E397 M401 K487E397-I482 HydrophobicContact CG-CD1 4.12Å; M401-I482 HydrophobicContact CE-CG2 3.99Å; M401-I482 HydrophobicContact CG-CG2 3.53Å; M401-I482 HydrophobicContact SD-CB 4.44Å; M401-I482 HydrophobicContact SD-CG2 3.64Å; I482-K487 HydrophobicContact CD1-CB 3.64Å; I482-K487 HydrophobicContact CD1-CD 3.52Å; I482-K487 HydrophobicContact CD1-CG 3.83Å; I482-K487 HydrophobicContact CG1-CB 4.03Å; I482-K487 HydrophobicContact CG1-CG 4.46Å
483P93.9Very high85.5Confident49 Ų4975.5 Ų75.532%0.31843%0.426SS..  trans-67.7147.4176.230.1-34.8000110.2Y485 L486 K487P483-Y485 HydrophobicContact CB-CD1 3.79Å; P483-Y485 HydrophobicContact CB-CE1 3.43Å; P483-Y485 VanDerWaalsContact CB-CE1 3.43Å; P483-Y485 HydrophobicContact CG-CD1 4.14Å; P483-Y485 HydrophobicContact CG-CE1 3.53Å; P483-Y485 PolarHBondContact O-N 3.24Å; P483-Y485 VanDerWaalsContact O-N 3.12Å; P483-L486 HydrophobicContact CG-CB 3.94Å; P483-L486 HydrophobicContact CG-CD1 3.6Å; P483-L486 HydrophobicContact CG-CG 3.74Å; P483-L486 PolarHBondContact O-N 2.82Å; P483-K487 PolarHBondContact O-N 3.49Å; P483-K487 VanDerWaalsContact O-N 3.09Å
484L93.5Very high86.3Confident133 Ų13374.7 Ų74.770%0.69642%0.419SS*.Hα-helixtrans-53.3-40.2-172.4-172.578.2000112.9L486 K487 L488L484-L486 VanDerWaalsContact C-N 3.33Å; L484-L486 PolarHBondContact O-N 2.99Å; L484-K487 PolarHBondContact O-N 3.01Å; L484-L488 HydrophobicContact CD1-CD1 4.17Å; L484-L488 HydrophobicContact CD2-CD1 4.42Å; L484-L488 HydrophobicContact CG-CD1 3.96Å; L484-L488 WeakPolarHBondContact O-CG 3.26Å; L484-L488 PolarHBondContact O-N 3.24Å
485Y94Very high87.4Confident167 Ų16775.3 Ų75.366%0.65541%0.411SS*.Hα-helixtrans-65.4-35.1-179.671-91.3000112.4P483 T489P483-Y485 HydrophobicContact CB-CD1 3.79Å; P483-Y485 HydrophobicContact CB-CE1 3.43Å; P483-Y485 VanDerWaalsContact CB-CE1 3.43Å; P483-Y485 HydrophobicContact CG-CD1 4.14Å; P483-Y485 HydrophobicContact CG-CE1 3.53Å; P483-Y485 PolarHBondContact O-N 3.24Å; P483-Y485 VanDerWaalsContact O-N 3.12Å; Y485-T489 WeakPolarHBondContact O-CG2 3.4Å; Y485-T489 PolarHBondContact O-N 3.19Å
486L92.7Very high88.5Confident33 Ų3377.3 Ų77.317%0.17341%0.413CS..Hα-helixtrans-74.2-37.5175.5-70.4-177.8000112.1N400 M401 P483 L484 L488 T489N400-L486 HydrophobicContact CB-CD2 4.28Å; M401-L486 HydrophobicContact SD-CD1 3.59Å; M401-L486 VanDerWaalsContact SD-CD1 3.59Å; P483-L486 HydrophobicContact CG-CB 3.94Å; P483-L486 HydrophobicContact CG-CD1 3.6Å; P483-L486 HydrophobicContact CG-CG 3.74Å; P483-L486 PolarHBondContact O-N 2.82Å; L484-L486 VanDerWaalsContact C-N 3.33Å; L484-L486 PolarHBondContact O-N 2.99Å; L486-L488 VanDerWaalsContact C-N 3.33Å; L486-L488 PolarHBondContact O-N 3.18Å; L486-T489 HydrophobicContact CD2-CG2 4.37Å; L486-T489 PolarHBondContact O-N 2.97Å; L486-T489 PolarHBondContact O-OG1 3.49Å
487K93.1Very high89.7Confident70 Ų7076.5 Ų76.530%0.30441%0.408SS..Hα-helixtrans-63.9-40.4176.5-177.840.8155.2178.60111.7D393 E397 I482 P483 L484 T489D393-K487 IonicContact OD2-NZ 3.23Å; D393-K487 PolarHBondContact OD2-NZ 3.13Å; E397-K487 HydrophobicContact CG-CD 4.27Å; E397-K487 WeakPolarHBondContact OE1-CD 3.36Å; E397-K487 WeakPolarHBondContact OE1-CE 3.29Å; E397-K487 IonicContact OE1-NZ 2.65Å; E397-K487 PolarHBondContact OE1-NZ 3Å; E397-K487 IonicContact OE2-NZ 2.81Å; E397-K487 PolarHBondContact OE2-NZ 3.19Å; I482-K487 HydrophobicContact CD1-CB 3.64Å; I482-K487 HydrophobicContact CD1-CD 3.52Å; I482-K487 HydrophobicContact CD1-CG 3.83Å; I482-K487 HydrophobicContact CG1-CB 4.03Å; I482-K487 HydrophobicContact CG1-CG 4.46Å; P483-K487 PolarHBondContact O-N 3.49Å; P483-K487 VanDerWaalsContact O-N 3.09Å; L484-K487 PolarHBondContact O-N 3.01Å; K487-T489 VanDerWaalsContact C-N 3.32Å; K487-T489 PolarHBondContact O-N 3.28Å
488L94.1Very high90.9Very high87 Ų8773.2 Ų73.246%0.45538%0.383SS..THydrogen-bonded Turntrans-84.51.3-177.9-64.5176.6000114L484 L486 A490 L491 A492L484-L488 HydrophobicContact CD1-CD1 4.17Å; L484-L488 HydrophobicContact CD2-CD1 4.42Å; L484-L488 HydrophobicContact CG-CD1 3.96Å; L484-L488 WeakPolarHBondContact O-CG 3.26Å; L484-L488 PolarHBondContact O-N 3.24Å; L486-L488 VanDerWaalsContact C-N 3.33Å; L486-L488 PolarHBondContact O-N 3.18Å; L488-A490 PolarHBondContact O-N 3.48Å; L488-L491 PolarHBondContact O-N 2.95Å; L488-A492 VanDerWaalsContact O-CB 3.29Å; L488-A492 WeakPolarHBondContact O-CB 3.43Å; L488-A492 PolarHBondContact O-N 3.13Å
489T94.5Very high92.1Very high25 Ų2571.5 Ų71.515%0.15338%0.379CS..Hα-helixtrans-60.8-45.8-17554.30000112.9N400 Y485 L486 K487 L491 A492 V493N400-T489 PolarHBondContact ND2-OG1 3.3Å; Y485-T489 WeakPolarHBondContact O-CG2 3.4Å; Y485-T489 PolarHBondContact O-N 3.19Å; L486-T489 HydrophobicContact CD2-CG2 4.37Å; L486-T489 PolarHBondContact O-N 2.97Å; L486-T489 PolarHBondContact O-OG1 3.49Å; K487-T489 VanDerWaalsContact C-N 3.32Å; K487-T489 PolarHBondContact O-N 3.28Å; T489-L491 VanDerWaalsContact C-N 3.33Å; T489-L491 PolarHBondContact O-N 2.93Å; T489-A492 PolarHBondContact O-N 3.39Å; T489-V493 VanDerWaalsContact O-CB 3.3Å; T489-V493 WeakPolarHBondContact O-CB 3.27Å; T489-V493 WeakPolarHBondContact O-CG2 3.49Å; T489-V493 PolarHBondContact O-N 2.82Å
490A93.6Very high93.2Very high7 Ų769.2 Ų69.26%0.05837%0.372CS..Hα-helixtrans-61.9-44.9-175.900000110.9D393 I396 L488 T494D393-A490 WeakPolarHBondContact OD1-CB 3.42Å; I396-A490 HydrophobicContact CB-CB 4.14Å; I396-A490 HydrophobicContact CD1-CB 3.55Å; I396-A490 HydrophobicContact CG1-CB 4.45Å; I396-A490 HydrophobicContact CG2-CB 4.05Å; L488-A490 PolarHBondContact O-N 3.48Å; A490-T494 WeakPolarHBondContact O-CB 3.42Å; A490-T494 WeakPolarHBondContact O-CG2 3.11Å; A490-T494 PolarHBondContact O-N 3.48Å; A490-T494 PolarHBondContact O-OG1 2.98Å
491L94.7Very high94Very high81 Ų8163.6 Ų63.642%0.42434%0.339SS..Hα-helixtrans-68.6-40.7178.1-166.1137.2000112.1P384 L488 T489 T494 F495P384-L491 HydrophobicContact CG-CD1 4.25Å; L488-L491 PolarHBondContact O-N 2.95Å; T489-L491 VanDerWaalsContact C-N 3.33Å; T489-L491 PolarHBondContact O-N 2.93Å; L491-T494 WeakPolarHBondContact CA-OG1 3.38Å; L491-T494 PolarHBondContact O-OG1 3.31Å; L491-F495 WeakPolarHBondContact O-CB 3.49Å; L491-F495 PolarHBondContact O-N 2.88Å
492A95.5Very high94.3Very high55 Ų5561.5 Ų61.546%0.45532%0.323SS..Hα-helixtrans-63.4-44.8177.100000112.2L488 T489 F495 L496L488-A492 VanDerWaalsContact O-CB 3.29Å; L488-A492 WeakPolarHBondContact O-CB 3.43Å; L488-A492 PolarHBondContact O-N 3.13Å; T489-A492 PolarHBondContact O-N 3.39Å; A492-F495 PolarHBondContact O-N 3.38Å; A492-L496 WeakPolarHBondContact O-CB 3.41Å; A492-L496 PolarHBondContact O-N 2.63Å
493V95.9Very high94.4Very high32 Ų3264.9 Ų64.919%0.19434%0.341CS..Hα-helixtrans-68.8-39.5-178.8173.30000111.4L413 T416 S417 T489 L496 G497L413-V493 WeakPolarHBondContact O-CG1 3.39Å; T416-V493 VanDerWaalsContact OG1-CG1 3.25Å; T416-V493 WeakPolarHBondContact OG1-CG1 3.37Å; S417-V493 VanDerWaalsContact CB-O 3.32Å; S417-V493 WeakPolarHBondContact CB-O 3.22Å; T489-V493 VanDerWaalsContact O-CB 3.3Å; T489-V493 WeakPolarHBondContact O-CB 3.27Å; T489-V493 WeakPolarHBondContact O-CG2 3.49Å; T489-V493 PolarHBondContact O-N 2.82Å; V493-L496 PolarHBondContact O-N 3.03Å; V493-G497 PolarHBondContact O-N 2.85Å
494T95.1Very high94.3Very high22 Ų2268 Ų6814%0.13536%0.355CS..Hα-helixtrans-66.4-41.3175.151.60000111.9A381 S420 A490 L491 G497 L498A381-T494 WeakPolarHBondContact O-CG2 3.08Å; S420-T494 VanDerWaalsContact CB-O 3.3Å; S420-T494 WeakPolarHBondContact CB-O 3.42Å; S420-T494 PolarHBondContact OG-O 2.68Å; A490-T494 WeakPolarHBondContact O-CB 3.42Å; A490-T494 WeakPolarHBondContact O-CG2 3.11Å; A490-T494 PolarHBondContact O-N 3.48Å; A490-T494 PolarHBondContact O-OG1 2.98Å; L491-T494 WeakPolarHBondContact CA-OG1 3.38Å; L491-T494 PolarHBondContact O-OG1 3.31Å; T494-G497 PolarHBondContact O-N 3.37Å; T494-L498 PolarHBondContact O-N 2.89Å
495F95.2Very high94.2Very high120 Ų12063.3 Ų63.353%0.52633%0.33SS..Hα-helixtrans-63-42.7174.9-172.9-110000112.1L491 A492 G497 L498 L499L491-F495 WeakPolarHBondContact O-CB 3.49Å; L491-F495 PolarHBondContact O-N 2.88Å; A492-F495 PolarHBondContact O-N 3.38Å; F495-G497 VanDerWaalsContact C-N 3.35Å; F495-G497 PolarHBondContact O-N 3.43Å; F495-L498 WeakPolarHBondContact O-CB 3.48Å; F495-L498 PolarHBondContact O-N 2.76Å; F495-L498 VanDerWaalsContact O-N 3.15Å; F495-L499 HydrophobicContact CD1-CD1 3.79Å; F495-L499 HydrophobicContact CD1-CG 4.24Å; F495-L499 HydrophobicContact CE1-CD1 3.36Å; F495-L499 HydrophobicContact CE1-CD2 4.36Å; F495-L499 HydrophobicContact CE1-CG 3.93Å; F495-L499 HydrophobicContact CE2-CD2 4.49Å; F495-L499 HydrophobicContact CE2-CG 4.48Å; F495-L499 HydrophobicContact CZ-CD1 3.9Å; F495-L499 HydrophobicContact CZ-CD2 4.04Å; F495-L499 HydrophobicContact CZ-CG 4.05Å; F495-L499 WeakPolarHBondContact O-CG 3.29Å; F495-L499 PolarHBondContact O-N 3.4Å
496L95.6Very high93.9Very high101 Ų10162.5 Ų62.553%0.52933%0.327SS..Hα-helixtrans-60.1-43.2175.3-176.2142.2000112.1A492 V493 L498 L499 T500A492-L496 WeakPolarHBondContact O-CB 3.41Å; A492-L496 PolarHBondContact O-N 2.63Å; V493-L496 PolarHBondContact O-N 3.03Å; L496-L498 VanDerWaalsContact C-N 3.32Å; L496-L498 PolarHBondContact O-N 2.9Å; L496-L499 PolarHBondContact O-N 3.19Å; L496-T500 HydrophobicContact CD2-CG2 4.27Å; L496-T500 WeakPolarHBondContact O-CB 3.44Å; L496-T500 VanDerWaalsContact O-CG2 3.26Å; L496-T500 WeakPolarHBondContact O-CG2 3.22Å; L496-T500 PolarHBondContact O-N 2.9Å; L496-T500 PolarHBondContact O-OG1 3.21Å
497G95.5Very high93.7Very high1 Ų165.1 Ų65.11%0.0134%0.341CS..Hα-helixtrans-64-34.8174.800000113.6S417 S420 V493 T494 F495 T500 A501S417-G497 WeakPolarHBondContact O-CA 3.4Å; S420-G497 VanDerWaalsContact OG-CA 3.24Å; S420-G497 WeakPolarHBondContact OG-CA 3.35Å; V493-G497 PolarHBondContact O-N 2.85Å; T494-G497 PolarHBondContact O-N 3.37Å; F495-G497 VanDerWaalsContact C-N 3.35Å; F495-G497 PolarHBondContact O-N 3.43Å; G497-T500 WeakPolarHBondContact CA-OG1 3.48Å; G497-T500 PolarHBondContact O-OG1 3.07Å; G497-A501 WeakPolarHBondContact O-CB 3.43Å; G497-A501 PolarHBondContact O-N 2.94Å
498L95Very high93.5Very high53 Ų5366.3 Ų66.328%0.27735%0.354SS..Hα-helixtrans-67.5-47.5175.2178.5146.8000111.6S420 T424 T494 F495 L496 A501 L502S420-L498 PolarHBondContact OG-N 3.22Å; T424-L498 HydrophobicContact CG2-CB 4.17Å; T424-L498 HydrophobicContact CG2-CD1 3.89Å; T424-L498 HydrophobicContact CG2-CG 3.8Å; T494-L498 PolarHBondContact O-N 2.89Å; F495-L498 WeakPolarHBondContact O-CB 3.48Å; F495-L498 PolarHBondContact O-N 2.76Å; F495-L498 VanDerWaalsContact O-N 3.15Å; L496-L498 VanDerWaalsContact C-N 3.32Å; L496-L498 PolarHBondContact O-N 2.9Å; L498-A501 PolarHBondContact O-N 3.4Å; L498-L502 HydrophobicContact CD2-CD1 3.55Å; L498-L502 HydrophobicContact CD2-CG 4.49Å; L498-L502 HydrophobicContact CG-CD1 4.31Å; L498-L502 WeakPolarHBondContact O-CG 3.49Å; L498-L502 PolarHBondContact O-N 3.32Å
499L95.5Very high93Very high74 Ų7468.2 Ų68.239%0.38737%0.365SS..Hα-helixtrans-61.5-49178.7-71.8-179.6000111.7F495 L496 A501 L502 D503F495-L499 HydrophobicContact CD1-CD1 3.79Å; F495-L499 HydrophobicContact CD1-CG 4.24Å; F495-L499 HydrophobicContact CE1-CD1 3.36Å; F495-L499 HydrophobicContact CE1-CD2 4.36Å; F495-L499 HydrophobicContact CE1-CG 3.93Å; F495-L499 HydrophobicContact CE2-CD2 4.49Å; F495-L499 HydrophobicContact CE2-CG 4.48Å; F495-L499 HydrophobicContact CZ-CD1 3.9Å; F495-L499 HydrophobicContact CZ-CD2 4.04Å; F495-L499 HydrophobicContact CZ-CG 4.05Å; F495-L499 WeakPolarHBondContact O-CG 3.29Å; F495-L499 PolarHBondContact O-N 3.4Å; L496-L499 PolarHBondContact O-N 3.19Å; L499-A501 VanDerWaalsContact C-N 3.3Å; L499-A501 PolarHBondContact O-N 3.02Å; L499-L502 PolarHBondContact O-N 2.64Å; L499-L502 VanDerWaalsContact O-N 3.17Å; L499-D503 PolarHBondContact O-N 2.97Å
500T94.2Very high92.6Very high61 Ų6171.4 Ų71.437%0.37438%0.376SS..Hα-helixtrans-59.1-40.7179.450.90000112L496 G497 D503 L504L496-T500 HydrophobicContact CD2-CG2 4.27Å; L496-T500 WeakPolarHBondContact O-CB 3.44Å; L496-T500 VanDerWaalsContact O-CG2 3.26Å; L496-T500 WeakPolarHBondContact O-CG2 3.22Å; L496-T500 PolarHBondContact O-N 2.9Å; L496-T500 PolarHBondContact O-OG1 3.21Å; G497-T500 WeakPolarHBondContact CA-OG1 3.48Å; G497-T500 PolarHBondContact O-OG1 3.07Å; T500-D503 PolarHBondContact O-N 3.33Å; T500-L504 WeakPolarHBondContact O-CB 3.4Å; T500-L504 WeakPolarHBondContact O-CG 3.3Å; T500-L504 PolarHBondContact O-N 3.2Å
501A94.3Very high92.1Very high9 Ų979.9 Ų79.97%0.07442%0.42CS..Hα-helixtrans-69.3-36.717700000113.6A421 T424 G497 L498 L499 N505A421-A501 HydrophobicContact CB-CB 3.98Å; T424-A501 WeakPolarHBondContact OG1-CB 3.45Å; G497-A501 WeakPolarHBondContact O-CB 3.43Å; G497-A501 PolarHBondContact O-N 2.94Å; L498-A501 PolarHBondContact O-N 3.4Å; L499-A501 VanDerWaalsContact C-N 3.3Å; L499-A501 PolarHBondContact O-N 3.02Å; A501-N505 WeakPolarHBondContact O-CB 3.32Å; A501-N505 PolarHBondContact O-N 3.44Å
502L93.5Very high91.6Very high73 Ų7383.5 Ų83.538%0.38243%0.432SS..Hα-helixtrans-63-46173.5-74.9169.6000111.3L428 L498 L499 N505 Y506L428-L502 HydrophobicContact CD1-CD2 3.74Å; L428-L502 HydrophobicContact CD2-CD2 4.04Å; L428-L502 HydrophobicContact CG-CD2 4.45Å; L498-L502 HydrophobicContact CD2-CD1 3.55Å; L498-L502 HydrophobicContact CD2-CG 4.49Å; L498-L502 HydrophobicContact CG-CD1 4.31Å; L498-L502 WeakPolarHBondContact O-CG 3.49Å; L498-L502 PolarHBondContact O-N 3.32Å; L499-L502 PolarHBondContact O-N 2.64Å; L499-L502 VanDerWaalsContact O-N 3.17Å; L502-N505 PolarHBondContact O-N 2.83Å; L502-Y506 PolarHBondContact O-N 3.39Å
503D94.1Very high90.9Very high109 Ų10990.6 Ų90.658%0.58346%0.458SS*.Hα-helixtrans-61.9-46177.1-77.7-9.9000111.4L499 T500 N505 Y506 L507L499-D503 PolarHBondContact O-N 2.97Å; T500-D503 PolarHBondContact O-N 3.33Å; D503-N505 VanDerWaalsContact C-N 3.3Å; D503-N505 PolarHBondContact O-N 3.45Å; D503-Y506 PolarHBondContact O-N 2.92Å; D503-Y506 VanDerWaalsContact O-N 3.15Å; D503-L507 WeakPolarHBondContact O-CG 3.26Å; D503-L507 PolarHBondContact O-N 3.09Å
504L91.2Very high90.3Very high115 Ų11597.8 Ų97.860%0.60249%0.487SS*.Hα-helixtrans-59.5-41.2176.4-73.8173.6000111.6T500 L507 T508T500-L504 WeakPolarHBondContact O-CB 3.4Å; T500-L504 WeakPolarHBondContact O-CG 3.3Å; T500-L504 PolarHBondContact O-N 3.2Å; L504-L507 WeakPolarHBondContact O-CB 3.32Å; L504-L507 PolarHBondContact O-N 2.88Å; L504-T508 PolarHBondContact O-N 2.98Å
505N90Very high89.8Confident34 Ų34101.5 Ų101.518%0.18251%0.514CS..Hα-helixtrans-72.1-30.1176.7-16744.7000112.8L428 A501 L502 D503 L507 T508L428-N505 WeakPolarHBondContact CB-ND2 3.31Å; L428-N505 HydrophobicContact CD1-CB 4Å; A501-N505 WeakPolarHBondContact O-CB 3.32Å; A501-N505 PolarHBondContact O-N 3.44Å; L502-N505 PolarHBondContact O-N 2.83Å; D503-N505 VanDerWaalsContact C-N 3.3Å; D503-N505 PolarHBondContact O-N 3.45Å; N505-L507 VanDerWaalsContact C-N 3.27Å; N505-L507 PolarHBondContact O-N 3.4Å; N505-T508 PolarHBondContact O-N 2.62Å; N505-T508 PolarHBondContact O-OG1 3.42Å; N505-T508 PolarHBondContact OD1-OG1 3.03Å
506Y89Confident89.4Confident150 Ų15098.9 Ų98.959%0.58851%0.509SS*.Hα-helixtrans-66.8-33.9171.1-178.8-105.3000111.5L502 D503 T508 N509L502-Y506 PolarHBondContact O-N 3.39Å; D503-Y506 PolarHBondContact O-N 2.92Å; D503-Y506 VanDerWaalsContact O-N 3.15Å; Y506-T508 VanDerWaalsContact C-N 3.34Å; Y506-T508 PolarHBondContact O-N 3.38Å; Y506-N509 PolarHBondContact O-N 3.42Å
507L89.3Confident89.3Confident89 Ų8999.9 Ų99.947%0.46651%0.514SS..Hα-helixtrans-67.8-29.4175.4-67.4175.7000113.4D503 L504 N505 N509 K510D503-L507 WeakPolarHBondContact O-CG 3.26Å; D503-L507 PolarHBondContact O-N 3.09Å; L504-L507 WeakPolarHBondContact O-CB 3.32Å; L504-L507 PolarHBondContact O-N 2.88Å; N505-L507 VanDerWaalsContact C-N 3.27Å; N505-L507 PolarHBondContact O-N 3.4Å; L507-N509 VanDerWaalsContact C-N 3.29Å; L507-N509 PolarHBondContact O-N 3.21Å; L507-K510 HydrophobicContact CD2-CD 3.94Å; L507-K510 WeakPolarHBondContact O-CB 3.45Å; L507-K510 PolarHBondContact O-N 2.97Å
508T87.1Confident89.1Confident95 Ų95105.1 Ų105.158%0.58355%0.549SS*.Hα-helixtrans-68.5-28.6177.861.50000112.5L504 N505 Y506 K510L504-T508 PolarHBondContact O-N 2.98Å; N505-T508 PolarHBondContact O-N 2.62Å; N505-T508 PolarHBondContact O-OG1 3.42Å; N505-T508 PolarHBondContact OD1-OG1 3.03Å; Y506-T508 VanDerWaalsContact C-N 3.34Å; Y506-T508 PolarHBondContact O-N 3.38Å; T508-K510 PolarHBondContact O-N 2.87Å
509N84.4Confident89Confident127 Ų127107.4 Ų107.468%0.67957%0.566SS**THydrogen-bonded Turntrans-72.1-14.5175.3-68.1-22.5000113Y506 L507Y506-N509 PolarHBondContact O-N 3.42Å; L507-N509 VanDerWaalsContact C-N 3.29Å; L507-N509 PolarHBondContact O-N 3.21Å
510K86.7Confident88.9Confident91 Ų91107.6 Ų107.640%0.39656%0.564SS.*SBendtrans-78136.6175.1-59.6-177.9-177.2177.70108.9L507 T508 K512L507-K510 HydrophobicContact CD2-CD 3.94Å; L507-K510 WeakPolarHBondContact O-CB 3.45Å; L507-K510 PolarHBondContact O-N 2.97Å; T508-K510 PolarHBondContact O-N 2.87Å; K510-K512 PolarHBondContact O-N 3.02Å
511L81.9Confident88.9Confident185 Ų185109.5 Ų109.597%0.96957%0.565SS**SBendtrans-71.963.8176.7-63.6170.8000111.7
512K84.8Confident89Confident158 Ų158113.2 Ų113.269%0.68758%0.579SS**  trans-123.3105174.8-68.3-172.9179.4-173.50108.9K510 K514K510-K512 PolarHBondContact O-N 3.02Å; K512-K514 PolarHBondContact O-N 3.3Å
513M81.8Confident89.1Confident203 Ų203110.1 Ų110.1100%156%0.564SS**  trans-76.6121.1169.1-69.4-161.9-173.700109.5
514K81.9Confident89.1Confident183 Ų183107.3 Ų107.380%0.79655%0.549SS*.  trans-116.6142.6171.1-66.6-175.2178.8-176.70108.8K512K512-K514 PolarHBondContact O-N 3.3Å
515S85.8Confident89.2Confident101 Ų101106.5 Ų106.571%0.70654%0.543SS*.PPolyproline II helixtrans-65.9141.216949.40000110L517S515-L517 PolarHBondContact O-N 2.84Å
516P86.8Confident89.4Confident64 Ų64106.4 Ų106.442%0.41654%0.542SS..PPolyproline II helixtrans-64.2133.7175.126.8-34.5000110.4F520 Y521P516-F520 HydrophobicContact CB-CB 4.31Å; P516-F520 HydrophobicContact CB-CD1 3.61Å; P516-F520 HydrophobicContact CB-CE1 4.29Å; P516-F520 HydrophobicContact CB-CG 4.18Å; P516-Y521 HydrophobicContact CB-CE2 4.07Å; P516-Y521 HydrophobicContact CG-CE1 4.37Å; P516-Y521 HydrophobicContact CG-CE2 3.84Å; P516-Y521 WeakPolarHBondContact CG-OH 3.26Å
517L92.6Very high89.6Confident122 Ų122100 Ų10064%0.63952%0.523SS*.PPolyproline II helixtrans-77.3160.9175.4-64.9167.9000111S515 T519 F520 Y521S515-L517 PolarHBondContact O-N 2.84Å; L517-T519 PolarHBondContact O-N 3.23Å; L517-T519 VanDerWaalsContact O-N 3.15Å; L517-F520 VanDerWaalsContact O-CB 3.31Å; L517-F520 WeakPolarHBondContact O-CB 3.3Å; L517-F520 PolarHBondContact O-N 3.33Å; L517-Y521 PolarHBondContact O-N 3.48Å
518C92Very high89.9Confident111 Ų11199.5 Ų99.575%0.7552%0.517SS*.Hα-helixtrans-55-33.2173.8-63.30000113F520 Y521 F522C518-F520 VanDerWaalsContact C-N 3.31Å; C518-F520 PolarHBondContact O-N 3.45Å; C518-Y521 PolarHBondContact O-N 2.9Å; C518-F522 PolarHBondContact O-N 3.24Å
519T92.8Very high90.2Very high101 Ų10198.5 Ų98.562%0.6250%0.503SS*.Hα-helixtrans-64.8-33.2175.852.50000112.9L517 S523L517-T519 PolarHBondContact O-N 3.23Å; L517-T519 VanDerWaalsContact O-N 3.15Å; T519-S523 PolarHBondContact O-N 2.88Å; T519-S523 VanDerWaalsContact O-N 3.12Å; T519-S523 PolarHBondContact O-OG 3.08Å; T519-S523 VanDerWaalsContact O-OG 3.07Å
520F93.3Very high90.7Very high79 Ų7993.7 Ų93.735%0.34648%0.479SS..Hα-helixtrans-66.9-44.5172.7177.5-95.9000110.7T294 P516 L517 C518 F522 S523 N524T294-F520 HydrophobicContact CG2-CD2 3.72Å; T294-F520 HydrophobicContact CG2-CE2 3.85Å; P516-F520 HydrophobicContact CB-CB 4.31Å; P516-F520 HydrophobicContact CB-CD1 3.61Å; P516-F520 HydrophobicContact CB-CE1 4.29Å; P516-F520 HydrophobicContact CB-CG 4.18Å; L517-F520 VanDerWaalsContact O-CB 3.31Å; L517-F520 WeakPolarHBondContact O-CB 3.3Å; L517-F520 PolarHBondContact O-N 3.33Å; C518-F520 VanDerWaalsContact C-N 3.31Å; C518-F520 PolarHBondContact O-N 3.45Å; F520-F522 PolarHBondContact O-N 2.94Å; F520-S523 PolarHBondContact O-N 3.3Å; F520-S523 PolarHBondContact O-OG 3.43Å; F520-N524 HydrophobicContact CE1-CB 4.43Å; F520-N524 VanDerWaalsContact O-CB 3.25Å; F520-N524 WeakPolarHBondContact O-CB 3.36Å; F520-N524 PolarHBondContact O-N 3.08Å
521Y93.7Very high91Very high100 Ų10091.9 Ų91.939%0.39248%0.477SS..Hα-helixtrans-63.9-41.2176.1-68.9-61.9000112.6P516 L517 C518 S523 N524 M525P516-Y521 HydrophobicContact CB-CE2 4.07Å; P516-Y521 HydrophobicContact CG-CE1 4.37Å; P516-Y521 HydrophobicContact CG-CE2 3.84Å; P516-Y521 WeakPolarHBondContact CG-OH 3.26Å; L517-Y521 PolarHBondContact O-N 3.48Å; C518-Y521 PolarHBondContact O-N 2.9Å; Y521-S523 PolarHBondContact O-N 3.45Å; Y521-N524 PolarHBondContact O-N 2.95Å; Y521-M525 HydrophobicContact CD1-CE 4.32Å; Y521-M525 VanDerWaalsContact O-CB 3.31Å; Y521-M525 WeakPolarHBondContact O-CB 3.33Å; Y521-M525 PolarHBondContact O-N 2.84Å
522F95.5Very high91.7Very high87 Ų8787.7 Ų87.738%0.38246%0.455SS..Hα-helixtrans-57.8-49.5176178-94.6000112F287 C518 F520 L526 G527 F528F287-F522 HydrophobicContact CE2-CZ 4.38Å; C518-F522 PolarHBondContact O-N 3.24Å; F520-F522 PolarHBondContact O-N 2.94Å; F522-L526 PolarHBondContact O-N 3.45Å; F522-G527 VanDerWaalsContact CE2-CA 3.43Å; F522-G527 WeakPolarHBondContact O-CA 3.5Å; F522-G527 PolarHBondContact O-N 3.46Å; F522-F528 HydrophobicContact CB-CE2 4.38Å; F522-F528 HydrophobicContact CD2-CD2 4.27Å; F522-F528 HydrophobicContact CD2-CE2 4.29Å
523S95.6Very high92.2Very high8 Ų881 Ų816%0.05643%0.427CS..Hα-helixtrans-68.5-41.4179.755.20000112.7V290 T294 T519 F520 Y521 L526V290-S523 WeakPolarHBondContact O-CB 3.41Å; T294-S523 WeakPolarHBondContact CG2-OG 3.45Å; T294-S523 VanDerWaalsContact OG1-C 3.25Å; T294-S523 WeakPolarHBondContact OG1-CB 3.5Å; T294-S523 PolarHBondContact OG1-OG 2.81Å; T519-S523 PolarHBondContact O-N 2.88Å; T519-S523 VanDerWaalsContact O-N 3.12Å; T519-S523 PolarHBondContact O-OG 3.08Å; T519-S523 VanDerWaalsContact O-OG 3.07Å; F520-S523 PolarHBondContact O-N 3.3Å; F520-S523 PolarHBondContact O-OG 3.43Å; Y521-S523 PolarHBondContact O-N 3.45Å; S523-L526 PolarHBondContact O-N 3.49Å
524N94.5Very high92.8Very high51 Ų5174.5 Ų74.527%0.27339%0.394SS..Hα-helixtrans-71.4-38-177.4-168.922.1000112.1T294 Q295 F520 Y521 L526T294-N524 WeakPolarHBondContact OG1-CA 3.43Å; T294-N524 PolarHBondContact OG1-N 2.86Å; Q295-N524 PolarHBondContact NE2-O 3.32Å; F520-N524 HydrophobicContact CE1-CB 4.43Å; F520-N524 VanDerWaalsContact O-CB 3.25Å; F520-N524 WeakPolarHBondContact O-CB 3.36Å; F520-N524 PolarHBondContact O-N 3.08Å; Y521-N524 PolarHBondContact O-N 2.95Å; N524-L526 VanDerWaalsContact C-N 3.27Å; N524-L526 PolarHBondContact O-N 2.91Å
525M94.1Very high93.4Very high97 Ų9775 Ų7548%0.47839%0.391SS..THydrogen-bonded Turntrans-89.923178.2-60.4-167.918000113.5Y521 G527 F528Y521-M525 HydrophobicContact CD1-CE 4.32Å; Y521-M525 VanDerWaalsContact O-CB 3.31Å; Y521-M525 WeakPolarHBondContact O-CB 3.33Å; Y521-M525 PolarHBondContact O-N 2.84Å; M525-G527 VanDerWaalsContact C-N 3.34Å; M525-G527 PolarHBondContact O-N 3.25Å; M525-F528 HydrophobicContact CB-CD1 3.87Å; M525-F528 HydrophobicContact CB-CE1 3.89Å; M525-F528 HydrophobicContact CG-CE1 4.21Å; M525-F528 WeakPolarHBondContact O-CA 3.37Å; M525-F528 PolarHBondContact O-N 3.38Å; M525-F528 HydrophobicContact SD-CD1 4Å; M525-F528 HydrophobicContact SD-CE1 3.52Å; M525-F528 VanDerWaalsContact SD-CE1 3.52Å
526L93.8Very high93.9Very high32 Ų3273.3 Ų73.317%0.16838%0.376CS..G310 helixtrans54.546.6173.8-51.7-176.6000113.1C291 Q295 F304 F522 S523 N524 F528 Y529 P530C291-L526 HydrophobicContact CB-CD2 3.88Å; Q295-L526 VanDerWaalsContact NE2-CD2 3.31Å; F304-L526 HydrophobicContact CE1-CD2 4.06Å; F304-L526 HydrophobicContact CE2-CD2 3.56Å; F304-L526 HydrophobicContact CZ-CD1 3.87Å; F304-L526 HydrophobicContact CZ-CD2 3.17Å; F304-L526 HydrophobicContact CZ-CG 4.11Å; F522-L526 PolarHBondContact O-N 3.45Å; S523-L526 PolarHBondContact O-N 3.49Å; N524-L526 VanDerWaalsContact C-N 3.27Å; N524-L526 PolarHBondContact O-N 2.91Å; L526-F528 PolarHBondContact O-N 2.92Å; L526-Y529 PolarHBondContact O-N 2.84Å; L526-Y529 VanDerWaalsContact O-N 3.13Å; L526-P530 HydrophobicContact CB-CG 4.08Å; L526-P530 HydrophobicContact CD1-CG 4.12Å; L526-P530 WeakPolarHBondContact O-CD 3.49Å
527G92.9Very high94.3Very high17 Ų1775.5 Ų75.518%0.17538%0.383CS..G310 helixtrans63.220.7-177.800000114.5F522 M525 Y529F522-G527 VanDerWaalsContact CE2-CA 3.43Å; F522-G527 WeakPolarHBondContact O-CA 3.5Å; F522-G527 PolarHBondContact O-N 3.46Å; M525-G527 VanDerWaalsContact C-N 3.34Å; M525-G527 PolarHBondContact O-N 3.25Å; G527-Y529 PolarHBondContact O-N 3.07Å
528F95.1Very high94.4Very high78 Ų7872.6 Ų72.634%0.34237%0.372SS..G310 helixtrans5710.3-170.4-51.4-73.9000114.2F522 M525 L526 S531 I532F522-F528 HydrophobicContact CB-CE2 4.38Å; F522-F528 HydrophobicContact CD2-CD2 4.27Å; F522-F528 HydrophobicContact CD2-CE2 4.29Å; M525-F528 HydrophobicContact CB-CD1 3.87Å; M525-F528 HydrophobicContact CB-CE1 3.89Å; M525-F528 HydrophobicContact CG-CE1 4.21Å; M525-F528 WeakPolarHBondContact O-CA 3.37Å; M525-F528 PolarHBondContact O-N 3.38Å; M525-F528 HydrophobicContact SD-CD1 4Å; M525-F528 HydrophobicContact SD-CE1 3.52Å; M525-F528 VanDerWaalsContact SD-CE1 3.52Å; L526-F528 PolarHBondContact O-N 2.92Å; F528-S531 VanDerWaalsContact C-OG 3.25Å; F528-S531 VanDerWaalsContact CA-OG 3.27Å; F528-S531 WeakPolarHBondContact CA-OG 3.43Å; F528-S531 PolarHBondContact O-N 3.47Å; F528-S531 PolarHBondContact O-OG 2.84Å; F528-I532 HydrophobicContact CB-CD1 4.03Å; F528-I532 HydrophobicContact CB-CG1 4.5Å; F528-I532 VanDerWaalsContact O-CG1 3.3Å; F528-I532 WeakPolarHBondContact O-CG1 3.34Å; F528-I532 PolarHBondContact O-N 3.47Å
529Y95Very high94.6Very high73 Ų7374.5 Ų74.529%0.28637%0.365SS..Hα-helixtrans-66.4-51.1-172.9-175.7-87.2000111.7G228 H230 P231 L526 G527 S531 I532 T533G228-Y529 WeakPolarHBondContact CA-OH 3.43Å; G228-Y529 PolarHBondContact O-OH 2.93Å; H230-Y529 AromaticContact CE1-CD1 3.61Å; H230-Y529 AromaticContact CE1-CE1 3.94Å; H230-Y529 AromaticContact CE1-CG 3.83Å; H230-Y529 AromaticContact NE2-CD1 3.91Å; P231-Y529 HydrophobicContact CG-CD1 3.4Å; P231-Y529 HydrophobicContact CG-CE1 3.48Å; P231-Y529 VanDerWaalsContact CG-CE1 3.48Å; L526-Y529 PolarHBondContact O-N 2.84Å; L526-Y529 VanDerWaalsContact O-N 3.13Å; G527-Y529 PolarHBondContact O-N 3.07Å; Y529-S531 VanDerWaalsContact C-N 3.34Å; Y529-S531 PolarHBondContact O-N 2.73Å; Y529-I532 PolarHBondContact O-N 2.98Å; Y529-T533 HydrophobicContact CD1-CG2 4.25Å; Y529-T533 HydrophobicContact CD2-CG2 4.02Å; Y529-T533 HydrophobicContact CE1-CG2 3.96Å; Y529-T533 HydrophobicContact CE2-CG2 3.68Å; Y529-T533 HydrophobicContact CG-CG2 4.28Å; Y529-T533 WeakPolarHBondContact O-CB 3.36Å; Y529-T533 WeakPolarHBondContact O-CG2 3.42Å; Y529-T533 PolarHBondContact O-N 3.18Å; Y529-T533 PolarHBondContact O-OG1 3.26Å
530P94.3Very high94.8Very high27 Ų2774.8 Ų74.818%0.17536%0.362CS..Hα-helixtrans-62.3-40.8176-22.235.5000112.2P231 L526 I532 H534P231-P530 HydrophobicContact CB-CG 4.27Å; P231-P530 HydrophobicContact CG-CG 4.47Å; L526-P530 HydrophobicContact CB-CG 4.08Å; L526-P530 HydrophobicContact CD1-CG 4.12Å; L526-P530 WeakPolarHBondContact O-CD 3.49Å; P530-I532 VanDerWaalsContact C-N 3.29Å; P530-I532 PolarHBondContact O-N 3.22Å; P530-H534 WeakPolarHBondContact O-CB 3.32Å; P530-H534 PolarHBondContact O-N 3.32Å
531S93.8Very high94.9Very high52 Ų5272.8 Ų72.836%0.36436%0.363SS..Hα-helixtrans-63.6-33.2-178.548.20000113.5F528 Y529 R535F528-S531 VanDerWaalsContact C-OG 3.25Å; F528-S531 VanDerWaalsContact CA-OG 3.27Å; F528-S531 WeakPolarHBondContact CA-OG 3.43Å; F528-S531 PolarHBondContact O-N 3.47Å; F528-S531 PolarHBondContact O-OG 2.84Å; Y529-S531 VanDerWaalsContact C-N 3.34Å; Y529-S531 PolarHBondContact O-N 2.73Å; S531-R535 WeakPolarHBondContact O-CD 3.12Å; S531-R535 WeakPolarHBondContact O-CG 3.43Å
532I95.8Very high95Very high98 Ų9873.7 Ų73.750%0.50337%0.374SS..Hα-helixtrans-83.2-61.9176.5-63.5165.4000108.8F528 Y529 P530 H534 R535 T536F528-I532 HydrophobicContact CB-CD1 4.03Å; F528-I532 HydrophobicContact CB-CG1 4.5Å; F528-I532 VanDerWaalsContact O-CG1 3.3Å; F528-I532 WeakPolarHBondContact O-CG1 3.34Å; F528-I532 PolarHBondContact O-N 3.47Å; Y529-I532 PolarHBondContact O-N 2.98Å; P530-I532 VanDerWaalsContact C-N 3.29Å; P530-I532 PolarHBondContact O-N 3.22Å; I532-H534 PolarHBondContact O-N 3.41Å; I532-R535 PolarHBondContact O-N 3.38Å; I532-T536 HydrophobicContact CG2-CG2 4.43Å; I532-T536 WeakPolarHBondContact O-CG2 3.29Å; I532-T536 PolarHBondContact O-N 3.23Å; I532-T536 PolarHBondContact O-OG1 3.47Å
533T94.6Very high95.1Very high17 Ų1772.1 Ų72.110%0.10437%0.369CS..Hα-helixtrans-66-42.9-168.759.20000113.6Y529 R535 I537 P538Y529-T533 HydrophobicContact CD1-CG2 4.25Å; Y529-T533 HydrophobicContact CD2-CG2 4.02Å; Y529-T533 HydrophobicContact CE1-CG2 3.96Å; Y529-T533 HydrophobicContact CE2-CG2 3.68Å; Y529-T533 HydrophobicContact CG-CG2 4.28Å; Y529-T533 WeakPolarHBondContact O-CB 3.36Å; Y529-T533 WeakPolarHBondContact O-CG2 3.42Å; Y529-T533 PolarHBondContact O-N 3.18Å; Y529-T533 PolarHBondContact O-OG1 3.26Å; T533-R535 PolarHBondContact O-N 3.16Å; T533-I537 HydrophobicContact CG2-CD1 4.34Å; T533-I537 WeakPolarHBondContact O-CB 3.01Å; T533-I537 WeakPolarHBondContact O-CG1 3.21Å; T533-I537 PolarHBondContact O-N 3.33Å; T533-P538 WeakPolarHBondContact O-CD 3.29Å
534H94.7Very high95.2Very high67 Ų6775.1 Ų75.131%0.3139%0.388SS..Hα-helixtrans-75.3-12.4-178.7-57.9166.4000113.3Q170 Y174 P530 I532 P538Q170-H534 PolarHBondContact NE2-CE1 3.2Å; Y174-H534 AromaticContact CE2-NE2 3.83Å; Y174-H534 AromaticContact CZ-NE2 3.76Å; Y174-H534 PolarHBondContact OH-CD2 3.38Å; Y174-H534 PolarHBondContact OH-NE2 2.7Å; P530-H534 WeakPolarHBondContact O-CB 3.32Å; P530-H534 PolarHBondContact O-N 3.32Å; I532-H534 PolarHBondContact O-N 3.41Å; H534-P538 VanDerWaalsContact O-CD 3.27Å; H534-P538 WeakPolarHBondContact O-CD 2.79Å; H534-P538 VanDerWaalsContact O-CG 3.22Å; H534-P538 WeakPolarHBondContact O-CG 3.28Å
535R94.4Very high95.3Very high193 Ų19375.5 Ų75.573%0.72839%0.394SS*.Hα-helixtrans-95.9-51.8173.7-66.9-172.3177.6-174-1.4111.4S531 I532 T533 Y539S531-R535 WeakPolarHBondContact O-CD 3.12Å; S531-R535 WeakPolarHBondContact O-CG 3.43Å; I532-R535 PolarHBondContact O-N 3.38Å; T533-R535 PolarHBondContact O-N 3.16Å; R535-Y539 WeakPolarHBondContact O-CB 3.39Å; R535-Y539 PolarHBondContact O-N 3.39Å
536T96.1Very high95.4Very high65 Ų6575.7 Ų75.740%0.39939%0.394SS..Hα-helixtrans-71.5-45-172.559.10000112.3I532 Y539 L540I532-T536 HydrophobicContact CG2-CG2 4.43Å; I532-T536 WeakPolarHBondContact O-CG2 3.29Å; I532-T536 PolarHBondContact O-N 3.23Å; I532-T536 PolarHBondContact O-OG1 3.47Å; T536-Y539 PolarHBondContact O-N 3.29Å; T536-L540 WeakPolarHBondContact O-CB 3.28Å; T536-L540 VanDerWaalsContact O-CG 3.32Å; T536-L540 WeakPolarHBondContact O-CG 3.29Å; T536-L540 PolarHBondContact O-N 3.1Å
537I95.2Very high95.6Very high110 Ų11078.1 Ų78.156%0.56441%0.407SS*.Hα-helixtrans-66.9-49.4-175.2-58.5170.2000111.1T533 Y539 L540 G541T533-I537 HydrophobicContact CG2-CD1 4.34Å; T533-I537 WeakPolarHBondContact O-CB 3.01Å; T533-I537 WeakPolarHBondContact O-CG1 3.21Å; T533-I537 PolarHBondContact O-N 3.33Å; I537-Y539 PolarHBondContact O-N 2.96Å; I537-L540 PolarHBondContact O-N 3.24Å; I537-G541 PolarHBondContact O-N 3.48Å
538P95.7Very high95.7Very high62 Ų6282 Ų8240%0.40342%0.423SS..Hα-helixtrans-65.9-37.1177.2-2538.7000113T533 H534 G541 L542T533-P538 WeakPolarHBondContact O-CD 3.29Å; H534-P538 VanDerWaalsContact O-CD 3.27Å; H534-P538 WeakPolarHBondContact O-CD 2.79Å; H534-P538 VanDerWaalsContact O-CG 3.22Å; H534-P538 WeakPolarHBondContact O-CG 3.28Å; P538-G541 PolarHBondContact O-N 2.99Å; P538-L542 VanDerWaalsContact O-CB 3.29Å; P538-L542 WeakPolarHBondContact O-CB 3.47Å; P538-L542 VanDerWaalsContact O-CG 3.28Å; P538-L542 WeakPolarHBondContact O-CG 3.41Å; P538-L542 PolarHBondContact O-N 3.47Å
539Y96.6Very high95.7Very high151 Ų15180.9 Ų80.959%0.59242%0.424SS*.Hα-helixtrans-60.8-49.9176.8175.2-106.4000111.8R535 T536 I537 L543R535-Y539 WeakPolarHBondContact O-CB 3.39Å; R535-Y539 PolarHBondContact O-N 3.39Å; T536-Y539 PolarHBondContact O-N 3.29Å; I537-Y539 PolarHBondContact O-N 2.96Å; Y539-L543 HydrophobicContact CD1-CD1 3.91Å; Y539-L543 HydrophobicContact CD2-CD1 3.99Å; Y539-L543 HydrophobicContact CD2-CG 4.29Å; Y539-L543 HydrophobicContact CE1-CD1 3.39Å; Y539-L543 HydrophobicContact CE2-CD1 3.47Å; Y539-L543 VanDerWaalsContact CE2-CD1 3.47Å; Y539-L543 HydrophobicContact CE2-CG 4.04Å; Y539-L543 HydrophobicContact CG-CD1 4.2Å; Y539-L543 VanDerWaalsContact O-CB 3.29Å; Y539-L543 WeakPolarHBondContact O-CB 3.32Å; Y539-L543 VanDerWaalsContact O-CG 3.31Å; Y539-L543 WeakPolarHBondContact O-CG 3.45Å; Y539-L543 PolarHBondContact O-N 2.94Å; Y539-L543 WeakPolarHBondContact OH-CD1 3.38Å
540L96.3Very high95.8Very high107 Ų10781.6 Ų81.656%0.5643%0.432SS*.Hα-helixtrans-65-42.2177.3-68.4173.7000111.6T536 I537 T544T536-L540 WeakPolarHBondContact O-CB 3.28Å; T536-L540 VanDerWaalsContact O-CG 3.32Å; T536-L540 WeakPolarHBondContact O-CG 3.29Å; T536-L540 PolarHBondContact O-N 3.1Å; I537-L540 PolarHBondContact O-N 3.24Å; L540-T544 WeakPolarHBondContact O-CB 3.21Å; L540-T544 WeakPolarHBondContact O-CG2 3.33Å; L540-T544 PolarHBondContact O-N 3.34Å; L540-T544 PolarHBondContact O-OG1 2.91Å
541G95.9Very high95.9Very high36 Ų3683.8 Ų83.837%0.37144%0.442SS..Hα-helixtrans-62-47.2177.900000112.8I537 P538 T544 S545I537-G541 PolarHBondContact O-N 3.48Å; P538-G541 PolarHBondContact O-N 2.99Å; G541-T544 PolarHBondContact O-OG1 2.92Å; G541-S545 VanDerWaalsContact O-CB 3.28Å; G541-S545 WeakPolarHBondContact O-CB 3.31Å; G541-S545 PolarHBondContact O-N 2.72Å; G541-S545 PolarHBondContact O-OG 2.96Å
542L96.1Very high96Very high119 Ų11984.8 Ų84.862%0.62344%0.443SS*.Hα-helixtrans-68.5-44179.1-70.6176.7000112P538 T544 S545 Q546P538-L542 VanDerWaalsContact O-CB 3.29Å; P538-L542 WeakPolarHBondContact O-CB 3.47Å; P538-L542 VanDerWaalsContact O-CG 3.28Å; P538-L542 WeakPolarHBondContact O-CG 3.41Å; P538-L542 PolarHBondContact O-N 3.47Å; L542-T544 PolarHBondContact O-N 2.72Å; L542-S545 WeakPolarHBondContact CA-OG 3.07Å; L542-S545 PolarHBondContact O-N 2.89Å; L542-S545 PolarHBondContact O-OG 3.49Å; L542-Q546 WeakPolarHBondContact O-CB 3.43Å; L542-Q546 PolarHBondContact O-N 3.25Å
543L97.3Very high96Very high54 Ų5484.2 Ų84.228%0.28344%0.44SS..Hα-helixtrans-62.4-43.8176.7-79-178.9000112.8Y539 S545 Q546 N547Y539-L543 HydrophobicContact CD1-CD1 3.91Å; Y539-L543 HydrophobicContact CD2-CD1 3.99Å; Y539-L543 HydrophobicContact CD2-CG 4.29Å; Y539-L543 HydrophobicContact CE1-CD1 3.39Å; Y539-L543 HydrophobicContact CE2-CD1 3.47Å; Y539-L543 VanDerWaalsContact CE2-CD1 3.47Å; Y539-L543 HydrophobicContact CE2-CG 4.04Å; Y539-L543 HydrophobicContact CG-CD1 4.2Å; Y539-L543 VanDerWaalsContact O-CB 3.29Å; Y539-L543 WeakPolarHBondContact O-CB 3.32Å; Y539-L543 VanDerWaalsContact O-CG 3.31Å; Y539-L543 WeakPolarHBondContact O-CG 3.45Å; Y539-L543 PolarHBondContact O-N 2.94Å; Y539-L543 WeakPolarHBondContact OH-CD1 3.38Å; L543-S545 VanDerWaalsContact C-N 3.32Å; L543-Q546 PolarHBondContact O-N 3.02Å; L543-N547 WeakPolarHBondContact O-CB 3.39Å; L543-N547 PolarHBondContact O-N 3.34Å
544T96.8Very high96.1Very high72 Ų7287.3 Ų87.344%0.44246%0.456SS..Hα-helixtrans-64.3-40.917651.80000110.6L540 G541 L542 Q546 L548 P549L540-T544 WeakPolarHBondContact O-CB 3.21Å; L540-T544 WeakPolarHBondContact O-CG2 3.33Å; L540-T544 PolarHBondContact O-N 3.34Å; L540-T544 PolarHBondContact O-OG1 2.91Å; G541-T544 PolarHBondContact O-OG1 2.92Å; L542-T544 PolarHBondContact O-N 2.72Å; T544-Q546 VanDerWaalsContact C-N 3.33Å; T544-Q546 PolarHBondContact O-N 3.43Å; T544-L548 WeakPolarHBondContact O-CB 3.5Å; T544-L548 PolarHBondContact O-N 2.93Å; T544-P549 WeakPolarHBondContact O-CD 3.44Å
545S97.2Very high96.1Very high58 Ų5887.9 Ų87.941%0.40646%0.461SS..Hα-helixtrans-65.8-29.7176.177.50000114.1G541 L542 L543 P549G541-S545 VanDerWaalsContact O-CB 3.28Å; G541-S545 WeakPolarHBondContact O-CB 3.31Å; G541-S545 PolarHBondContact O-N 2.72Å; G541-S545 PolarHBondContact O-OG 2.96Å; L542-S545 WeakPolarHBondContact CA-OG 3.07Å; L542-S545 PolarHBondContact O-N 2.89Å; L542-S545 PolarHBondContact O-OG 3.49Å; L543-S545 VanDerWaalsContact C-N 3.32Å; S545-P549 WeakPolarHBondContact O-CD 3.38Å; S545-P549 WeakPolarHBondContact O-CG 3.5Å
546Q96.8Very high96.2Very high102 Ų10282.1 Ų82.148%0.47745%0.448SS..Iπ-helixtrans-81.8-47.6176.9-176.1-179.90.200111.4L542 L543 T544 L550 L551L542-Q546 WeakPolarHBondContact O-CB 3.43Å; L542-Q546 PolarHBondContact O-N 3.25Å; L543-Q546 PolarHBondContact O-N 3.02Å; T544-Q546 VanDerWaalsContact C-N 3.33Å; T544-Q546 PolarHBondContact O-N 3.43Å; Q546-L550 WeakPolarHBondContact O-CB 3.47Å; Q546-L551 HydrophobicContact CG-CD1 4.07Å; Q546-L551 HydrophobicContact CG-CG 4.49Å; Q546-L551 WeakPolarHBondContact O-CB 3.07Å; Q546-L551 WeakPolarHBondContact O-CG 3.19Å; Q546-L551 PolarHBondContact O-N 3.01Å
547N96.7Very high96.2Very high82 Ų8285.8 Ų85.844%0.43945%0.454SS..Iπ-helixtrans-78.9-40.6-170.1-67.3-18.8000112.6L543 L552L543-N547 WeakPolarHBondContact O-CB 3.39Å; L543-N547 PolarHBondContact O-N 3.34Å; N547-L552 WeakPolarHBondContact O-CB 3.47Å; N547-L552 PolarHBondContact O-N 2.9Å
548L95.2Very high96.3Very high99 Ų9984.9 Ų84.952%0.51845%0.45SS..Iπ-helixtrans-84.4-64.2-174.8-68.4171.8000113T544 L552 L553T544-L548 WeakPolarHBondContact O-CB 3.5Å; T544-L548 PolarHBondContact O-N 2.93Å; L548-L552 WeakPolarHBondContact O-CB 3.42Å; L548-L553 WeakPolarHBondContact O-CG 3.16Å; L548-L553 PolarHBondContact O-N 3.07Å
549P96.2Very high96.3Very high54 Ų5485.4 Ų85.435%0.35145%0.447SS..Iπ-helixtrans-75.9-49.7-176.729.4-29.7000111.9T544 S545 L553 D554T544-P549 WeakPolarHBondContact O-CD 3.44Å; S545-P549 WeakPolarHBondContact O-CD 3.38Å; S545-P549 WeakPolarHBondContact O-CG 3.5Å; P549-L553 WeakPolarHBondContact O-CB 3.36Å; P549-L553 PolarHBondContact O-N 2.84Å; P549-D554 WeakPolarHBondContact O-CB 3.41Å; P549-D554 PolarHBondContact O-N 3.37Å
550L95.8Very high96.2Very high88 Ų8885 Ų8546%0.46145%0.448SS..Iπ-helixtrans-70-59.3-174.2-175.182.7000112.9Q546 L555Q546-L550 WeakPolarHBondContact O-CB 3.47Å; L550-L555 HydrophobicContact CG-CD1 4.16Å; L550-L555 WeakPolarHBondContact O-CB 3.33Å; L550-L555 WeakPolarHBondContact O-CG 3.33Å; L550-L555 PolarHBondContact O-N 3Å
551L96.4Very high96.2Very high74 Ų7484.5 Ų84.539%0.38745%0.446SS..Iπ-helixtrans-78.2-49.5-173.2-69.7172.4000112.3Q546 L555 T556Q546-L551 HydrophobicContact CG-CD1 4.07Å; Q546-L551 HydrophobicContact CG-CG 4.49Å; Q546-L551 WeakPolarHBondContact O-CB 3.07Å; Q546-L551 WeakPolarHBondContact O-CG 3.19Å; Q546-L551 PolarHBondContact O-N 3.01Å; L551-L555 HydrophobicContact CD2-CD1 4.03Å; L551-T556 VanDerWaalsContact O-CG2 3.32Å; L551-T556 WeakPolarHBondContact O-CG2 3.43Å; L551-T556 PolarHBondContact O-N 2.85Å; L551-T556 PolarHBondContact O-OG1 2.73Å
552L96.8Very high96.2Very high72 Ų7287.8 Ų87.838%0.37745%0.454SS..Iπ-helixtrans-78.7-53-175-171.7152.6000111.6N547 L548 T556 W557N547-L552 WeakPolarHBondContact O-CB 3.47Å; N547-L552 PolarHBondContact O-N 2.9Å; L548-L552 WeakPolarHBondContact O-CB 3.42Å; L552-T556 WeakPolarHBondContact CA-OG1 3.39Å; L552-T556 PolarHBondContact O-OG1 2.92Å; L552-W557 HydrophobicContact CD2-CG 4.46Å; L552-W557 WeakPolarHBondContact O-CB 3.4Å; L552-W557 PolarHBondContact O-N 2.69Å
553L96.4Very high96.2Very high86 Ų8685.7 Ų85.745%0.4545%0.448SS..Iπ-helixtrans-76.5-62.5-176.8-67.4172.3000112L548 P549 W557 L558L548-L553 WeakPolarHBondContact O-CG 3.16Å; L548-L553 PolarHBondContact O-N 3.07Å; P549-L553 WeakPolarHBondContact O-CB 3.36Å; P549-L553 PolarHBondContact O-N 2.84Å; L553-W557 PolarHBondContact O-N 2.8Å; L553-L558 WeakPolarHBondContact O-CB 3.5Å; L553-L558 WeakPolarHBondContact O-CG 3.18Å; L553-L558 PolarHBondContact O-N 3.28Å
554D95.4Very high96.1Very high83 Ų8388 Ų8844%0.44446%0.455SS..Iπ-helixtrans-72.1-54.4-166.9-65.4-16.6000112.1P549P549-D554 WeakPolarHBondContact O-CB 3.41Å; P549-D554 PolarHBondContact O-N 3.37Å
555L95.6Very high96.1Very high78 Ų7886.7 Ų86.741%0.40845%0.448SS..Iπ-helixtrans-78.5-26.6-174.1-70.4170.7000114.1L550 L551 E559L550-L555 HydrophobicContact CG-CD1 4.16Å; L550-L555 WeakPolarHBondContact O-CB 3.33Å; L550-L555 WeakPolarHBondContact O-CG 3.33Å; L550-L555 PolarHBondContact O-N 3Å; L551-L555 HydrophobicContact CD2-CD1 4.03Å; L555-E559 VanDerWaalsContact O-CD 3.31Å
556T95.6Very high96Very high73 Ų7388.1 Ų88.145%0.44845%0.45SS..Iπ-helixtrans-111.2-61.5-177.158.60000113.3L551 L552 K560L551-T556 VanDerWaalsContact O-CG2 3.32Å; L551-T556 WeakPolarHBondContact O-CG2 3.43Å; L551-T556 PolarHBondContact O-N 2.85Å; L551-T556 PolarHBondContact O-OG1 2.73Å; L552-T556 WeakPolarHBondContact CA-OG1 3.39Å; L552-T556 PolarHBondContact O-OG1 2.92Å; T556-K560 WeakPolarHBondContact O-CB 3.4Å; T556-K560 PolarHBondContact O-N 3.29Å
557W96.6Very high96Very high142 Ų14285.6 Ų85.654%0.53844%0.444SS..Iπ-helixtrans-70.5-49.4-173.6-83.499.7000113.2L552 L553 E559 K560 L561L552-W557 HydrophobicContact CD2-CG 4.46Å; L552-W557 WeakPolarHBondContact O-CB 3.4Å; L552-W557 PolarHBondContact O-N 2.69Å; L553-W557 PolarHBondContact O-N 2.8Å; W557-E559 PolarHBondContact O-N 3.41Å; W557-K560 PolarHBondContact O-N 2.82Å; W557-L561 HydrophobicContact CB-CD1 4.46Å; W557-L561 HydrophobicContact CE3-CD1 3.85Å; W557-L561 HydrophobicContact CE3-CD2 4.12Å; W557-L561 HydrophobicContact CE3-CG 3.87Å; W557-L561 HydrophobicContact CZ3-CD2 4.2Å; W557-L561 HydrophobicContact CZ3-CG 4.44Å; W557-L561 WeakPolarHBondContact O-CB 3.42Å; W557-L561 WeakPolarHBondContact O-CG 3.32Å; W557-L561 PolarHBondContact O-N 2.87Å
558L96.7Very high96Very high91 Ų9188.4 Ų88.448%0.47645%0.454SS..Iπ-helixtrans-64.1-42.8-179.7-71-179.9000111.4L553 L562 P563L553-L558 WeakPolarHBondContact O-CB 3.5Å; L553-L558 WeakPolarHBondContact O-CG 3.18Å; L553-L558 PolarHBondContact O-N 3.28Å; L558-L562 PolarHBondContact O-N 3.49Å; L558-P563 WeakPolarHBondContact O-CD 3.4Å
559E95.2Very high95.9Very high73 Ų7389.8 Ų89.834%0.34146%0.458SS..Hα-helixtrans-65.3-39.8173.8-75.6-168.8-172.400113.4L555 W557 P563 K564L555-E559 VanDerWaalsContact O-CD 3.31Å; W557-E559 PolarHBondContact O-N 3.41Å; E559-P563 WeakPolarHBondContact O-CD 3.27Å; E559-P563 WeakPolarHBondContact O-CG 3.44Å; E559-K564 WeakPolarHBondContact O-CB 3.34Å; E559-K564 WeakPolarHBondContact O-CG 3.18Å; E559-K564 PolarHBondContact O-N 2.97Å; E559-K564 VanDerWaalsContact O-N 3.09Å; E559-K564 WeakPolarHBondContact OE2-CE 3Å; E559-K564 IonicContact OE2-NZ 2.73Å; E559-K564 PolarHBondContact OE2-NZ 3.28Å
560K95.3Very high95.8Very high142 Ų14293.2 Ų93.262%0.61747%0.469SS*.Iπ-helixtrans-73.4-42.5-178-169.7173.7-178-179.50111.3T556 W557 T565T556-K560 WeakPolarHBondContact O-CB 3.4Å; T556-K560 PolarHBondContact O-N 3.29Å; W557-K560 PolarHBondContact O-N 2.82Å; K560-T565 WeakPolarHBondContact O-CG2 3.3Å; K560-T565 PolarHBondContact O-N 2.97Å
561L96.5Very high95.7Very high96 Ų9693.6 Ų93.650%0.50347%0.47SS..Iπ-helixtrans-68.8-34.6-173.3-77.7170.9000113.8W557 T565W557-L561 HydrophobicContact CB-CD1 4.46Å; W557-L561 HydrophobicContact CE3-CD1 3.85Å; W557-L561 HydrophobicContact CE3-CD2 4.12Å; W557-L561 HydrophobicContact CE3-CG 3.87Å; W557-L561 HydrophobicContact CZ3-CD2 4.2Å; W557-L561 HydrophobicContact CZ3-CG 4.44Å; W557-L561 WeakPolarHBondContact O-CB 3.42Å; W557-L561 WeakPolarHBondContact O-CG 3.32Å; W557-L561 PolarHBondContact O-N 2.87Å; L561-T565 PolarHBondContact O-OG1 3.09Å
562L95.8Very high95.6Very high105 Ų10592.3 Ų92.355%0.5547%0.467SS..Iπ-helixtrans-111.5-74.7-173.7-70.4172000112.6L558 K564 T565 I566L558-L562 PolarHBondContact O-N 3.49Å; L562-K564 PolarHBondContact O-N 3.03Å; L562-T565 PolarHBondContact O-OG1 3.45Å; L562-I566 VanDerWaalsContact O-CB 3.3Å; L562-I566 WeakPolarHBondContact O-CB 3.16Å; L562-I566 WeakPolarHBondContact O-CD1 3.45Å; L562-I566 WeakPolarHBondContact O-CG1 3.19Å; L562-I566 PolarHBondContact O-N 2.87Å
563P95.6Very high95.4Very high76 Ų7692.7 Ų92.749%0.49447%0.473SS..Iπ-helixtrans-69.4-37.1-170.925.5-32.7000113.2L558 E559 S567L558-P563 WeakPolarHBondContact O-CD 3.4Å; E559-P563 WeakPolarHBondContact O-CD 3.27Å; E559-P563 WeakPolarHBondContact O-CG 3.44Å; P563-S567 VanDerWaalsContact O-CB 3.27Å; P563-S567 WeakPolarHBondContact O-CB 3.39Å; P563-S567 PolarHBondContact O-N 3.07Å; P563-S567 PolarHBondContact O-OG 3.14Å
564K95.1Very high95.3Very high101 Ų10191.4 Ų91.444%0.43947%0.471SS..Iπ-helixtrans-75.1-39.9-179.3-69.2176.4-176.8156.10112.6E559 L562 S567 Q568E559-K564 WeakPolarHBondContact O-CB 3.34Å; E559-K564 WeakPolarHBondContact O-CG 3.18Å; E559-K564 PolarHBondContact O-N 2.97Å; E559-K564 VanDerWaalsContact O-N 3.09Å; E559-K564 WeakPolarHBondContact OE2-CE 3Å; E559-K564 IonicContact OE2-NZ 2.73Å; E559-K564 PolarHBondContact OE2-NZ 3.28Å; L562-K564 PolarHBondContact O-N 3.03Å; K564-S567 WeakPolarHBondContact CA-OG 3.15Å; K564-S567 PolarHBondContact O-OG 2.84Å; K564-S567 VanDerWaalsContact O-OG 3.07Å; K564-Q568 WeakPolarHBondContact O-CB 3.4Å; K564-Q568 PolarHBondContact O-N 2.83Å
565T96.7Very high95.1Very high46 Ų4691.8 Ų91.828%0.28247%0.472SS..Hα-helixtrans-65.4-45174.348.20000111.4K560 L561 L562 Q568 H569K560-T565 WeakPolarHBondContact O-CG2 3.3Å; K560-T565 PolarHBondContact O-N 2.97Å; L561-T565 PolarHBondContact O-OG1 3.09Å; L562-T565 PolarHBondContact O-OG1 3.45Å; T565-Q568 PolarHBondContact O-N 3.32Å; T565-H569 WeakPolarHBondContact O-CB 3.13Å; T565-H569 PolarHBondContact O-CD2 3.3Å; T565-H569 PolarHBondContact O-N 2.61Å
566I96.5Very high94.9Very high88 Ų8893.8 Ų93.845%0.45148%0.482SS..Hα-helixtrans-62.7-47.4178-67.5167.4000110.1L562 Q568 H569 Q570L562-I566 VanDerWaalsContact O-CB 3.3Å; L562-I566 WeakPolarHBondContact O-CB 3.16Å; L562-I566 WeakPolarHBondContact O-CD1 3.45Å; L562-I566 WeakPolarHBondContact O-CG1 3.19Å; L562-I566 PolarHBondContact O-N 2.87Å; I566-Q568 PolarHBondContact O-N 3.32Å; I566-H569 PolarHBondContact O-N 2.86Å; I566-Q570 HydrophobicContact CG2-CG 4.41Å; I566-Q570 WeakPolarHBondContact O-CB 3.04Å; I566-Q570 WeakPolarHBondContact O-CG 3.35Å; I566-Q570 PolarHBondContact O-N 3.48Å
567S96.6Very high94.5Very high49 Ų4994.9 Ų94.934%0.34349%0.489SS..Hα-helixtrans-64.3-41178.562.10000111.9P563 K564 H569 Q570 I571P563-S567 VanDerWaalsContact O-CB 3.27Å; P563-S567 WeakPolarHBondContact O-CB 3.39Å; P563-S567 PolarHBondContact O-N 3.07Å; P563-S567 PolarHBondContact O-OG 3.14Å; K564-S567 WeakPolarHBondContact CA-OG 3.15Å; K564-S567 PolarHBondContact O-OG 2.84Å; K564-S567 VanDerWaalsContact O-OG 3.07Å; S567-H569 PolarHBondContact O-N 2.87Å; S567-Q570 PolarHBondContact O-N 3.37Å; S567-I571 WeakPolarHBondContact O-CB 3.4Å; S567-I571 WeakPolarHBondContact O-CD1 3.4Å; S567-I571 WeakPolarHBondContact O-CG1 3.45Å; S567-I571 PolarHBondContact O-N 2.87Å
568Q95.3Very high94Very high141 Ų14192.2 Ų92.266%0.65949%0.492SS*.Hα-helixtrans-64.2-41.4176.2-173172.53.400111.9K564 T565 I566 S572K564-Q568 WeakPolarHBondContact O-CB 3.4Å; K564-Q568 PolarHBondContact O-N 2.83Å; T565-Q568 PolarHBondContact O-N 3.32Å; I566-Q568 PolarHBondContact O-N 3.32Å; Q568-S572 WeakPolarHBondContact O-CB 3.4Å; Q568-S572 PolarHBondContact O-N 3.5Å; Q568-S572 PolarHBondContact O-OG 3.3Å
569H94.1Very high93.5Very high128 Ų12892.4 Ų92.459%0.59350%0.497SS*.Hα-helixtrans-63.1-48.3173.5-79.9-56.1000111.2T565 I566 S567 I571 S572 T573T565-H569 WeakPolarHBondContact O-CB 3.13Å; T565-H569 PolarHBondContact O-CD2 3.3Å; T565-H569 PolarHBondContact O-N 2.61Å; I566-H569 PolarHBondContact O-N 2.86Å; S567-H569 PolarHBondContact O-N 2.87Å; H569-I571 PolarHBondContact O-N 3.42Å; H569-S572 WeakPolarHBondContact CA-OG 3.16Å; H569-S572 PolarHBondContact O-N 3.49Å; H569-S572 PolarHBondContact O-OG 3.3Å; H569-T573 WeakPolarHBondContact O-CG2 3.34Å; H569-T573 PolarHBondContact O-N 3.42Å; H569-T573 PolarHBondContact O-OG1 3.5Å
570Q94.4Very high92.9Very high126 Ų12694.2 Ų94.259%0.58951%0.506SS*.Hα-helixtrans-58.8-46.2177.6-74.9-179-12.100112.2I566 S567 S572 T573 S574I566-Q570 HydrophobicContact CG2-CG 4.41Å; I566-Q570 WeakPolarHBondContact O-CB 3.04Å; I566-Q570 WeakPolarHBondContact O-CG 3.35Å; I566-Q570 PolarHBondContact O-N 3.48Å; S567-Q570 PolarHBondContact O-N 3.37Å; Q570-S572 PolarHBondContact O-N 3.18Å; Q570-T573 WeakPolarHBondContact CA-OG1 3.38Å; Q570-T573 PolarHBondContact O-N 3.34Å; Q570-T573 PolarHBondContact O-OG1 2.94Å; Q570-S574 WeakPolarHBondContact O-CB 3.47Å; Q570-S574 PolarHBondContact O-N 2.78Å; Q570-S574 PolarHBondContact O-OG 3.18Å
571I93.9Very high92.4Very high95 Ų9595.5 Ų95.549%0.48751%0.511SS..Hα-helixtrans-61.4-44.9176-68.8163.7000110.5S567 H569 T573 S574 I575S567-I571 WeakPolarHBondContact O-CB 3.4Å; S567-I571 WeakPolarHBondContact O-CD1 3.4Å; S567-I571 WeakPolarHBondContact O-CG1 3.45Å; S567-I571 PolarHBondContact O-N 2.87Å; H569-I571 PolarHBondContact O-N 3.42Å; I571-T573 VanDerWaalsContact C-N 3.33Å; I571-T573 PolarHBondContact O-N 2.83Å; I571-S574 WeakPolarHBondContact CA-OG 3.33Å; I571-S574 PolarHBondContact O-N 3.29Å; I571-S574 PolarHBondContact O-OG 2.88Å; I571-I575 HydrophobicContact CG2-CD1 3.61Å; I571-I575 HydrophobicContact CG2-CG1 4.31Å; I571-I575 WeakPolarHBondContact O-CB 3.49Å; I571-I575 WeakPolarHBondContact O-CD1 3.46Å; I571-I575 WeakPolarHBondContact O-CG1 3.21Å; I571-I575 PolarHBondContact O-N 2.72Å
572S93.6Very high91.7Very high47 Ų4793.3 Ų93.333%0.32951%0.512SS..Hα-helixtrans-62.2-42.117871.60000111.8Q568 H569 Q570 I575 I576Q568-S572 WeakPolarHBondContact O-CB 3.4Å; Q568-S572 PolarHBondContact O-N 3.5Å; Q568-S572 PolarHBondContact O-OG 3.3Å; H569-S572 WeakPolarHBondContact CA-OG 3.16Å; H569-S572 PolarHBondContact O-N 3.49Å; H569-S572 PolarHBondContact O-OG 3.3Å; Q570-S572 PolarHBondContact O-N 3.18Å; S572-I575 PolarHBondContact O-N 2.91Å; 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 2.94Å; S572-I576 VanDerWaalsContact O-N 3.07Å
573T92.4Very high91.4Very high80 Ų8092.8 Ų92.849%0.49151%0.508SS..Hα-helixtrans-69-35.8177.357.40000112.5H569 Q570 I571 T577H569-T573 WeakPolarHBondContact O-CG2 3.34Å; H569-T573 PolarHBondContact O-N 3.42Å; H569-T573 PolarHBondContact O-OG1 3.5Å; Q570-T573 WeakPolarHBondContact CA-OG1 3.38Å; Q570-T573 PolarHBondContact O-N 3.34Å; Q570-T573 PolarHBondContact O-OG1 2.94Å; I571-T573 VanDerWaalsContact C-N 3.33Å; I571-T573 PolarHBondContact O-N 2.83Å; T573-T577 WeakPolarHBondContact O-CB 3.47Å; T573-T577 WeakPolarHBondContact O-CG2 3.22Å; T573-T577 PolarHBondContact O-N 3.37Å; T573-T577 PolarHBondContact O-OG1 3.14Å
574S94Very high91Very high59 Ų5994.9 Ų94.941%0.41351%0.513SS..Hα-helixtrans-71.5-37.4177.870.70000111.7Q570 I571 T577 S578Q570-S574 WeakPolarHBondContact O-CB 3.47Å; Q570-S574 PolarHBondContact O-N 2.78Å; Q570-S574 PolarHBondContact O-OG 3.18Å; I571-S574 WeakPolarHBondContact CA-OG 3.33Å; I571-S574 PolarHBondContact O-N 3.29Å; I571-S574 PolarHBondContact O-OG 2.88Å; S574-T577 WeakPolarHBondContact CA-OG1 3.24Å; S574-T577 PolarHBondContact O-N 2.7Å; S574-T577 PolarHBondContact O-OG1 3.1Å; S574-T577 VanDerWaalsContact O-OG1 3.1Å; S574-S578 VanDerWaalsContact O-CB 3.24Å; S574-S578 WeakPolarHBondContact O-CB 3.37Å; S574-S578 PolarHBondContact O-N 3.07Å; S574-S578 PolarHBondContact O-OG 3.5Å
575I92.4Very high90.7Very high92 Ų9298.1 Ų98.147%0.47253%0.527SS..Hα-helixtrans-62.9-50173.6-68165.7000109.8I571 S572 T577 S578 T579I571-I575 HydrophobicContact CG2-CD1 3.61Å; I571-I575 HydrophobicContact CG2-CG1 4.31Å; I571-I575 WeakPolarHBondContact O-CB 3.49Å; I571-I575 WeakPolarHBondContact O-CD1 3.46Å; I571-I575 WeakPolarHBondContact O-CG1 3.21Å; I571-I575 PolarHBondContact O-N 2.72Å; S572-I575 PolarHBondContact O-N 2.91Å; I575-T577 VanDerWaalsContact C-N 3.31Å; I575-T577 PolarHBondContact O-N 3.34Å; I575-S578 PolarHBondContact O-N 2.8Å; I575-S578 PolarHBondContact O-OG 3.34Å; I575-T579 HydrophobicContact CG2-CG2 4.22Å; I575-T579 VanDerWaalsContact O-CG2 3.22Å; I575-T579 WeakPolarHBondContact O-CG2 3.4Å; I575-T579 PolarHBondContact O-N 3.03Å; I575-T579 VanDerWaalsContact O-N 3.13Å; I575-T579 PolarHBondContact O-OG1 3.24Å
576I90.2Very high90.3Very high120 Ų120100.1 Ų100.162%0.61554%0.536SS*.Hα-helixtrans-59.1-42.9-179.9-66.9163.5000111.3S572 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 2.94Å; S572-I576 VanDerWaalsContact O-N 3.07Å; I576-T579 PolarHBondContact O-OG1 3.13Å
577T88.1Confident89.8Confident95 Ų95100.1 Ų100.158%0.58353%0.531SS*.Hα-helixtrans-73-37.6-178.448.50000113.2T573 S574 I575T573-T577 WeakPolarHBondContact O-CB 3.47Å; T573-T577 WeakPolarHBondContact O-CG2 3.22Å; T573-T577 PolarHBondContact O-N 3.37Å; T573-T577 PolarHBondContact O-OG1 3.14Å; S574-T577 WeakPolarHBondContact CA-OG1 3.24Å; S574-T577 PolarHBondContact O-N 2.7Å; S574-T577 PolarHBondContact O-OG1 3.1Å; S574-T577 VanDerWaalsContact O-OG1 3.1Å; I575-T577 VanDerWaalsContact C-N 3.31Å; I575-T577 PolarHBondContact O-N 3.34Å
578S86.2Confident89.3Confident87 Ų87104 Ų10461%0.60854%0.542SS*.Hα-helixtrans-81.4-17.9-176.8620000114.9S574 I575 Q580S574-S578 VanDerWaalsContact O-CB 3.24Å; S574-S578 WeakPolarHBondContact O-CB 3.37Å; S574-S578 PolarHBondContact O-N 3.07Å; S574-S578 PolarHBondContact O-OG 3.5Å; I575-S578 PolarHBondContact O-N 2.8Å; I575-S578 PolarHBondContact O-OG 3.34Å; S578-Q580 PolarHBondContact O-N 2.83Å
579T85.6Confident88.9Confident94 Ų94101.7 Ų101.758%0.57753%0.533SS*.  trans-74.744.3179.154.60000114.6I575 I576I575-T579 HydrophobicContact CG2-CG2 4.22Å; I575-T579 VanDerWaalsContact O-CG2 3.22Å; I575-T579 WeakPolarHBondContact O-CG2 3.4Å; I575-T579 PolarHBondContact O-N 3.03Å; I575-T579 VanDerWaalsContact O-N 3.13Å; I575-T579 PolarHBondContact O-OG1 3.24Å; I576-T579 PolarHBondContact O-OG1 3.13Å
580Q82.8Confident88.5Confident112 Ų11298.7 Ų98.752%0.52353%0.527SS..  trans-84.7131.5173.4-60.5-62.7-27.100110.5S578 G582 Y587S578-Q580 PolarHBondContact O-N 2.83Å; Q580-G582 PolarHBondContact O-N 3.23Å; Q580-Y587 HydrophobicContact CB-CE1 4.25Å; Q580-Y587 WeakPolarHBondContact CB-OH 3.37Å; Q580-Y587 HydrophobicContact CG-CE1 4.4Å
581K83.6Confident88.1Confident169 Ų16999.5 Ų99.574%0.73553%0.528SS*.  trans-80.87.9-174.2-64.1-178.3-179.6178.10114.7M583K581-M583 HydrophobicContact CB-CE 3.58Å; K581-M583 HydrophobicContact CB-CG 4.42Å; K581-M583 HydrophobicContact CD-CE 3.49Å; K581-M583 VanDerWaalsContact CD-CE 3.49Å; K581-M583 HydrophobicContact CG-CE 4.17Å; K581-M583 PolarHBondContact O-N 3.43Å; K581-M583 VanDerWaalsContact O-N 3.13Å
582G83.6Confident87.7Confident50 Ų50101.6 Ų101.652%0.51553%0.534SS..  trans67.19.4179.900000115.7Q580 I584Q580-G582 PolarHBondContact O-N 3.23Å; G582-I584 PolarHBondContact O-N 3.13Å
583M88.8Confident87.2Confident94 Ų94105.8 Ų105.846%0.46355%0.547SS..  trans-83.1113.3-176.9-68.5-170.9-104.400111.6K581 K585 L586 Y587K581-M583 HydrophobicContact CB-CE 3.58Å; K581-M583 HydrophobicContact CB-CG 4.42Å; K581-M583 HydrophobicContact CD-CE 3.49Å; K581-M583 VanDerWaalsContact CD-CE 3.49Å; K581-M583 HydrophobicContact CG-CE 4.17Å; K581-M583 PolarHBondContact O-N 3.43Å; K581-M583 VanDerWaalsContact O-N 3.13Å; M583-K585 PolarHBondContact O-N 3.17Å; M583-K585 VanDerWaalsContact O-N 3.11Å; M583-L586 HydrophobicContact CB-CD1 4.2Å; M583-L586 HydrophobicContact CB-CG 4.3Å; M583-L586 HydrophobicContact CE-CD1 4.06Å; M583-L586 PolarHBondContact O-N 3.44Å; M583-Y587 PolarHBondContact O-N 3.46Å
584I87.1Confident86.8Confident119 Ų119105 Ų10561%0.6154%0.543SS*.Hα-helixtrans-50.8-38.4-179.7-63.5170.4000112.6G582 L586 Y587 F588G582-I584 PolarHBondContact O-N 3.13Å; I584-L586 VanDerWaalsContact C-N 3.33Å; I584-L586 PolarHBondContact O-N 3.08Å; I584-Y587 PolarHBondContact O-N 3.16Å; I584-F588 HydrophobicContact CG2-CD2 3.54Å; I584-F588 HydrophobicContact CG2-CE2 3.32Å; I584-F588 HydrophobicContact CG2-CZ 4.5Å; I584-F588 WeakPolarHBondContact O-CD2 2.83Å; I584-F588 PolarHBondContact O-N 3.47Å; I584-F588 VanDerWaalsContact O-N 3.09Å
585K89.2Confident86.3Confident170 Ų170107 Ų10774%0.73955%0.549SS*.Hα-helixtrans-56.8-42.9177-177.2178.8178.4179.70112.8M583 L589M583-K585 PolarHBondContact O-N 3.17Å; M583-K585 VanDerWaalsContact O-N 3.11Å; K585-L589 WeakPolarHBondContact O-CB 3.37Å; K585-L589 PolarHBondContact O-N 3.09Å
586L87.6Confident85.9Confident87 Ų87107 Ų10746%0.45555%0.549SS..Hα-helixtrans-71.1-35.8-179.1-67.3175.6000111.2M583 I584 L589 S590M583-L586 HydrophobicContact CB-CD1 4.2Å; M583-L586 HydrophobicContact CB-CG 4.3Å; M583-L586 HydrophobicContact CE-CD1 4.06Å; M583-L586 PolarHBondContact O-N 3.44Å; I584-L586 VanDerWaalsContact C-N 3.33Å; I584-L586 PolarHBondContact O-N 3.08Å; L586-L589 PolarHBondContact O-N 2.68Å; L586-S590 WeakPolarHBondContact O-CB 3.27Å; L586-S590 PolarHBondContact O-N 3.36Å; L586-S590 PolarHBondContact O-OG 3.39Å
587Y86.3Confident85.6Confident88 Ų88105.7 Ų105.735%0.34554%0.543SS..Hα-helixtrans-64.8-47.4176.4-64.3-50.4000112.2Q580 M583 I584 L589 S590 F591Q580-Y587 HydrophobicContact CB-CE1 4.25Å; Q580-Y587 WeakPolarHBondContact CB-OH 3.37Å; Q580-Y587 HydrophobicContact CG-CE1 4.4Å; M583-Y587 PolarHBondContact O-N 3.46Å; I584-Y587 PolarHBondContact O-N 3.16Å; Y587-L589 VanDerWaalsContact C-N 3.3Å; Y587-L589 PolarHBondContact O-N 2.94Å; Y587-S590 WeakPolarHBondContact CA-OG 3.43Å; Y587-S590 PolarHBondContact O-N 3.23Å; Y587-S590 VanDerWaalsContact O-N 3.16Å; Y587-S590 PolarHBondContact O-OG 2.96Å; Y587-F591 VanDerWaalsContact O-CD2 3.22Å; Y587-F591 WeakPolarHBondContact O-CD2 3.47Å; Y587-F591 PolarHBondContact O-N 3.37Å; Y587-F591 VanDerWaalsContact O-N 3.08Å
588F85.6Confident85.4Confident132 Ų132104.4 Ų104.458%0.57954%0.535SS*.Hα-helixtrans-61-39.3175.7-78.4-62.9000112.8I584 S590 F591 F592I584-F588 HydrophobicContact CG2-CD2 3.54Å; I584-F588 HydrophobicContact CG2-CE2 3.32Å; I584-F588 HydrophobicContact CG2-CZ 4.5Å; I584-F588 WeakPolarHBondContact O-CD2 2.83Å; I584-F588 PolarHBondContact O-N 3.47Å; I584-F588 VanDerWaalsContact O-N 3.09Å; F588-S590 VanDerWaalsContact C-N 3.32Å; F588-S590 PolarHBondContact O-N 3.4Å; F588-F591 PolarHBondContact O-N 3.11Å; F588-F592 PolarHBondContact O-N 2.9Å; F588-F592 VanDerWaalsContact O-N 3.12Å
589L86.9Confident85.2Confident91 Ų91105.3 Ų105.348%0.47653%0.532SS..Hα-helixtrans-65.1-37.6176.9-155149.9000111.5K585 L586 Y587 F591 F592 F593K585-L589 WeakPolarHBondContact O-CB 3.37Å; K585-L589 PolarHBondContact O-N 3.09Å; L586-L589 PolarHBondContact O-N 2.68Å; Y587-L589 VanDerWaalsContact C-N 3.3Å; Y587-L589 PolarHBondContact O-N 2.94Å; L589-F591 VanDerWaalsContact C-N 3.31Å; L589-F591 PolarHBondContact O-N 3.46Å; L589-F592 PolarHBondContact O-N 3.31Å; L589-F593 HydrophobicContact CD2-CD2 3.97Å; L589-F593 HydrophobicContact CD2-CE2 4.07Å; L589-F593 PolarHBondContact O-N 2.99Å
590S86.2Confident85Confident65 Ų65106.5 Ų106.546%0.45553%0.534SS..Hα-helixtrans-69.2-21.2173.671.80000114.6L586 Y587 F588 P594L586-S590 WeakPolarHBondContact O-CB 3.27Å; L586-S590 PolarHBondContact O-N 3.36Å; L586-S590 PolarHBondContact O-OG 3.39Å; Y587-S590 WeakPolarHBondContact CA-OG 3.43Å; Y587-S590 PolarHBondContact O-N 3.23Å; Y587-S590 VanDerWaalsContact O-N 3.16Å; Y587-S590 PolarHBondContact O-OG 2.96Å; F588-S590 VanDerWaalsContact C-N 3.32Å; F588-S590 PolarHBondContact O-N 3.4Å; S590-P594 WeakPolarHBondContact O-CD 3.3Å; S590-P594 VanDerWaalsContact O-CG 3.27Å; S590-P594 WeakPolarHBondContact O-CG 3.22Å
591F85.1Confident84.7Confident143 Ų143107.6 Ų107.663%0.62754%0.543SS*.Hα-helixtrans-83.1-33.6172.6-74.5-57.9000112.6Y587 F588 L589 P594 L595Y587-F591 VanDerWaalsContact O-CD2 3.22Å; Y587-F591 WeakPolarHBondContact O-CD2 3.47Å; Y587-F591 PolarHBondContact O-N 3.37Å; Y587-F591 VanDerWaalsContact O-N 3.08Å; F588-F591 PolarHBondContact O-N 3.11Å; L589-F591 VanDerWaalsContact C-N 3.31Å; L589-F591 PolarHBondContact O-N 3.46Å; F591-P594 WeakPolarHBondContact O-CD 3.42Å; F591-P594 WeakPolarHBondContact O-CG 3.4Å; F591-L595 PolarHBondContact O-N 3.5Å
592F85.8Confident83.9Confident139 Ų139106.5 Ų106.561%0.6154%0.544SS*.Hα-helixtrans-65.4-40.3176.8-98.6-78000112.8F588 L589 L595 I596F588-F592 PolarHBondContact O-N 2.9Å; F588-F592 VanDerWaalsContact O-N 3.12Å; L589-F592 PolarHBondContact O-N 3.31Å; F592-L595 PolarHBondContact O-N 2.74Å; F592-I596 WeakPolarHBondContact O-CG1 3.5Å; F592-I596 PolarHBondContact O-N 3.5Å
593F84.4Confident82.5Confident135 Ų135111.3 Ų111.359%0.59256%0.563SS**Hα-helixtrans-56.8-55.6-179.6-110.1-77.7000114.5L589 L595 I596 L597L589-F593 HydrophobicContact CD2-CD2 3.97Å; L589-F593 HydrophobicContact CD2-CE2 4.07Å; L589-F593 PolarHBondContact O-N 2.99Å; F593-L595 VanDerWaalsContact C-N 3.26Å; F593-L595 PolarHBondContact O-N 2.84Å; F593-I596 PolarHBondContact O-N 3.02Å; F593-L597 WeakPolarHBondContact O-CB 3.16Å; F593-L597 PolarHBondContact O-N 3.48Å
594P83.6Confident82.2Confident63 Ų63112.2 Ų112.241%0.40957%0.568SS.*Hα-helixtrans-65.1-30.2177.823.4-30.9000111.8S590 F591 L597 T598S590-P594 WeakPolarHBondContact O-CD 3.3Å; S590-P594 VanDerWaalsContact O-CG 3.27Å; S590-P594 WeakPolarHBondContact O-CG 3.22Å; F591-P594 WeakPolarHBondContact O-CD 3.42Å; F591-P594 WeakPolarHBondContact O-CG 3.4Å; P594-L597 CarbonylContact O-C 3.56Å; P594-L597 PolarHBondContact O-N 3.45Å; P594-T598 WeakPolarHBondContact O-CB 3.38Å; P594-T598 VanDerWaalsContact O-CG2 3.31Å; P594-T598 WeakPolarHBondContact O-CG2 3.12Å; P594-T598 PolarHBondContact O-N 2.93Å; P594-T598 PolarHBondContact O-OG1 3.27Å
595L83.3Confident81.9Confident102 Ų102111.8 Ų111.853%0.53457%0.566SS.*Hα-helixtrans-65.5-43.5177.2-145.2151.6000111.3F591 F592 F593 T598 L599F591-L595 PolarHBondContact O-N 3.5Å; F592-L595 PolarHBondContact O-N 2.74Å; F593-L595 VanDerWaalsContact C-N 3.26Å; F593-L595 PolarHBondContact O-N 2.84Å; L595-T598 WeakPolarHBondContact CA-OG1 3.4Å; L595-T598 PolarHBondContact O-N 3.33Å; L595-T598 PolarHBondContact O-OG1 3.46Å; L595-L599 HydrophobicContact CD2-CD1 3.87Å; L595-L599 WeakPolarHBondContact O-CB 3.31Å; L595-L599 PolarHBondContact O-N 3.33Å
596I84.9Confident81.5Confident91 Ų91108.6 Ų108.647%0.46756%0.557SS.*Hα-helixtrans-62.9-43.4171.1-66.7165.3000110.7F592 F593 T598 L599 L600F592-I596 WeakPolarHBondContact O-CG1 3.5Å; F592-I596 PolarHBondContact O-N 3.5Å; F593-I596 PolarHBondContact O-N 3.02Å; I596-T598 PolarHBondContact O-N 3.37Å; I596-L599 PolarHBondContact O-N 3.12Å; I596-L600 HydrophobicContact CG2-CD1 3.84Å; I596-L600 WeakPolarHBondContact O-CB 3.45Å; I596-L600 PolarHBondContact O-N 3.4Å
597L83Confident81.1Confident94 Ų94109.9 Ų109.949%0.49256%0.563SS.*Hα-helixtrans-65.2-38.9179.9-126.5153000112.1F593 P594 L600 L601F593-L597 WeakPolarHBondContact O-CB 3.16Å; F593-L597 PolarHBondContact O-N 3.48Å; P594-L597 CarbonylContact O-C 3.56Å; P594-L597 PolarHBondContact O-N 3.45Å; L597-L600 PolarHBondContact O-N 3.22Å; L597-L601 HydrophobicContact CD2-CD1 3.47Å; L597-L601 VanDerWaalsContact CD2-CD1 3.47Å; L597-L601 HydrophobicContact CD2-CG 4.21Å; L597-L601 VanDerWaalsContact O-CB 3.3Å; L597-L601 WeakPolarHBondContact O-CB 3.43Å; L597-L601 WeakPolarHBondContact O-CG 3.38Å; L597-L601 PolarHBondContact O-N 3.2Å
598T84.9Confident80.8Confident68 Ų68111.3 Ų111.342%0.41758%0.576SS.*Hα-helixtrans-69.1-39.7174.951.10000111.5P594 L595 I596 L600 L601 I602P594-T598 WeakPolarHBondContact O-CB 3.38Å; P594-T598 VanDerWaalsContact O-CG2 3.31Å; P594-T598 WeakPolarHBondContact O-CG2 3.12Å; P594-T598 PolarHBondContact O-N 2.93Å; P594-T598 PolarHBondContact O-OG1 3.27Å; L595-T598 WeakPolarHBondContact CA-OG1 3.4Å; L595-T598 PolarHBondContact O-N 3.33Å; L595-T598 PolarHBondContact O-OG1 3.46Å; I596-T598 PolarHBondContact O-N 3.37Å; T598-L600 VanDerWaalsContact C-N 3.34Å; T598-L600 PolarHBondContact O-N 3.01Å; T598-L601 PolarHBondContact O-N 3.5Å; T598-I602 WeakPolarHBondContact O-CB 3.47Å; T598-I602 WeakPolarHBondContact O-CD1 3.35Å; T598-I602 WeakPolarHBondContact O-CG1 3.46Å; T598-I602 PolarHBondContact O-N 3.47Å
599L82Confident80.5Confident105 Ų105109.9 Ų109.955%0.5558%0.576SS.*Hα-helixtrans-60.5-46173.8-86.5155.6000110.7L595 I596 L601 I602 T603L595-L599 HydrophobicContact CD2-CD1 3.87Å; L595-L599 WeakPolarHBondContact O-CB 3.31Å; L595-L599 PolarHBondContact O-N 3.33Å; I596-L599 PolarHBondContact O-N 3.12Å; L599-L601 PolarHBondContact O-N 2.96Å; L599-I602 PolarHBondContact O-N 3.33Å; L599-T603 WeakPolarHBondContact O-CG2 3.5Å; L599-T603 PolarHBondContact O-N 2.92Å; L599-T603 PolarHBondContact O-OG1 3.02Å
600L80.3Confident80.1Confident120 Ų120111.2 Ų111.263%0.62858%0.583SS**Hα-helixtrans-68.5-26.4177.8-82.2162.3000114.8I596 L597 T598 T603I596-L600 HydrophobicContact CG2-CD1 3.84Å; I596-L600 WeakPolarHBondContact O-CB 3.45Å; I596-L600 PolarHBondContact O-N 3.4Å; L597-L600 PolarHBondContact O-N 3.22Å; T598-L600 VanDerWaalsContact C-N 3.34Å; T598-L600 PolarHBondContact O-N 3.01Å; L600-T603 PolarHBondContact O-OG1 2.94Å
601L77.3Confident79.6Confident135 Ų135114.8 Ų114.871%0.70759%0.593SS**Hα-helixtrans-90.7-20.5177.9-82.4165.2000113.1L597 T598 L599L597-L601 HydrophobicContact CD2-CD1 3.47Å; L597-L601 VanDerWaalsContact CD2-CD1 3.47Å; L597-L601 HydrophobicContact CD2-CG 4.21Å; L597-L601 VanDerWaalsContact O-CB 3.3Å; L597-L601 WeakPolarHBondContact O-CB 3.43Å; L597-L601 WeakPolarHBondContact O-CG 3.38Å; L597-L601 PolarHBondContact O-N 3.2Å; T598-L601 PolarHBondContact O-N 3.5Å; L599-L601 PolarHBondContact O-N 2.96Å
602I66.1Low79.1Confident145 Ų145112.4 Ų112.474%0.74459%0.59SS**Hα-helixtrans-97.3-19.9-179.3-63.9167.8000111.3T598 L599T598-I602 WeakPolarHBondContact O-CB 3.47Å; T598-I602 WeakPolarHBondContact O-CD1 3.35Å; T598-I602 WeakPolarHBondContact O-CG1 3.46Å; T598-I602 PolarHBondContact O-N 3.47Å; L599-I602 PolarHBondContact O-N 3.33Å
603T54Low78.5Confident152 Ų152110 Ų11093%0.93359%0.588SS**  trans-82.20159.258.20000110.7L599 L600L599-T603 WeakPolarHBondContact O-CG2 3.5Å; L599-T603 PolarHBondContact O-N 2.92Å; L599-T603 PolarHBondContact O-OG1 3.02Å; L600-T603 PolarHBondContact O-OG1 2.94Å

Retrieved 603 of 603 residues in 250 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).